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- PDB-6dwu: Crystal structure of complex of BBKI and Bovine Trypsin -

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基本情報

登録情報
データベース: PDB / ID: 6dwu
タイトルCrystal structure of complex of BBKI and Bovine Trypsin
要素
  • Cationic trypsin
  • Kunitz-type inihibitor
キーワードHYDROLASE (加水分解酵素) / BBKI
機能・相同性
機能・相同性情報


endopeptidase inhibitor activity / トリプシン / serpin family protein binding / serine protease inhibitor complex / 消化 / endopeptidase activity / serine-type endopeptidase activity / タンパク質分解 / extracellular space / metal ion binding
類似検索 - 分子機能
Proteinase inhibitor I3, Kunitz legume / Trypsin and protease inhibitor / Soybean trypsin inhibitor (Kunitz) family of protease inhibitors / Kunitz inhibitor STI-like superfamily / Serine proteases, trypsin family, histidine active site / Serine proteases, trypsin family, serine active site / Peptidase S1A, chymotrypsin family / Serine proteases, trypsin family, histidine active site. / Serine proteases, trypsin domain profile. / Serine proteases, trypsin family, serine active site. ...Proteinase inhibitor I3, Kunitz legume / Trypsin and protease inhibitor / Soybean trypsin inhibitor (Kunitz) family of protease inhibitors / Kunitz inhibitor STI-like superfamily / Serine proteases, trypsin family, histidine active site / Serine proteases, trypsin family, serine active site / Peptidase S1A, chymotrypsin family / Serine proteases, trypsin family, histidine active site. / Serine proteases, trypsin domain profile. / Serine proteases, trypsin family, serine active site. / Trypsin-like serine protease / Serine proteases, trypsin domain / トリプシン / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan
類似検索 - ドメイン・相同性
Serine protease 1 / Kunitz-type inihibitor
類似検索 - 構成要素
生物種Bos taurus (ウシ)
Bauhinia bauhinioides (マメ科)
手法X線回折 / シンクロトロン / 解像度: 3.96 Å
データ登録者Li, M. / Wlodawer, A. / Gustchina, A.
引用ジャーナル: Acta Crystallogr D Struct Biol / 年: 2019
タイトル: Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
著者: Li, M. / Srp, J. / Gustchina, A. / Dauter, Z. / Mares, M. / Wlodawer, A.
履歴
登録2018年6月28日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02019年1月30日Provider: repository / タイプ: Initial release

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構造ビューア分子:
MolmilJmol/JSmol

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集合体

登録構造単位
AA: Cationic trypsin
AB: Kunitz-type inihibitor
AC: Cationic trypsin
AD: Kunitz-type inihibitor
AE: Cationic trypsin
AF: Kunitz-type inihibitor
AG: Cationic trypsin
AH: Kunitz-type inihibitor
AI: Cationic trypsin
AJ: Kunitz-type inihibitor
AK: Cationic trypsin
AL: Kunitz-type inihibitor
AM: Cationic trypsin
AN: Kunitz-type inihibitor
AO: Cationic trypsin
AP: Kunitz-type inihibitor
AQ: Cationic trypsin
AR: Kunitz-type inihibitor
AS: Cationic trypsin
AT: Kunitz-type inihibitor
AU: Cationic trypsin
AV: Kunitz-type inihibitor
BA: Cationic trypsin
BB: Kunitz-type inihibitor
BC: Cationic trypsin
BD: Kunitz-type inihibitor
BE: Cationic trypsin
BF: Kunitz-type inihibitor
BG: Cationic trypsin
BH: Kunitz-type inihibitor
BI: Cationic trypsin
BJ: Kunitz-type inihibitor
BK: Cationic trypsin
BL: Kunitz-type inihibitor
BM: Cationic trypsin
BN: Kunitz-type inihibitor
BO: Cationic trypsin
BP: Kunitz-type inihibitor
BQ: Cationic trypsin
BR: Kunitz-type inihibitor
BS: Cationic trypsin
BT: Kunitz-type inihibitor
BU: Cationic trypsin
BV: Kunitz-type inihibitor
CA: Cationic trypsin
CB: Kunitz-type inihibitor
CC: Cationic trypsin
CD: Kunitz-type inihibitor
CE: Cationic trypsin
CF: Kunitz-type inihibitor
CG: Cationic trypsin
CH: Kunitz-type inihibitor
CI: Cationic trypsin
CJ: Kunitz-type inihibitor
CK: Cationic trypsin
CL: Kunitz-type inihibitor
CM: Cationic trypsin
CN: Kunitz-type inihibitor
CO: Cationic trypsin
CP: Kunitz-type inihibitor
CQ: Cationic trypsin
CR: Kunitz-type inihibitor
CS: Cationic trypsin
CT: Kunitz-type inihibitor
CU: Cationic trypsin
CV: Kunitz-type inihibitor
DA: Cationic trypsin
DB: Kunitz-type inihibitor
DC: Cationic trypsin
DD: Kunitz-type inihibitor
DE: Cationic trypsin
DF: Kunitz-type inihibitor
DG: Cationic trypsin
DH: Kunitz-type inihibitor
DI: Cationic trypsin
DJ: Kunitz-type inihibitor
DK: Cationic trypsin
DL: Kunitz-type inihibitor
DM: Cationic trypsin
DN: Kunitz-type inihibitor
DO: Cationic trypsin
DP: Kunitz-type inihibitor
DQ: Cationic trypsin
DR: Kunitz-type inihibitor
DS: Cationic trypsin
DT: Kunitz-type inihibitor
DU: Cationic trypsin
DV: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)1,811,19688
ポリマ－1,811,19688
非ポリマー00
水0
1
AA: Cationic trypsin
AB: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2030 Å2
ΔGint-9 kcal/mol
Surface area15350 Å2
手法PISA
2
AC: Cationic trypsin
AD: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1940 Å2
ΔGint-8 kcal/mol
Surface area15450 Å2
手法PISA
3
AE: Cationic trypsin
AF: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2040 Å2
ΔGint-7 kcal/mol
Surface area15300 Å2
手法PISA
4
AG: Cationic trypsin
AH: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2020 Å2
ΔGint-8 kcal/mol
Surface area15350 Å2
手法PISA
5
AI: Cationic trypsin
AJ: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2040 Å2
ΔGint-8 kcal/mol
Surface area15230 Å2
手法PISA
6
AK: Cationic trypsin
AL: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2010 Å2
ΔGint-8 kcal/mol
Surface area15450 Å2
手法PISA
7
AM: Cationic trypsin
AN: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2000 Å2
ΔGint-9 kcal/mol
Surface area15250 Å2
手法PISA
8
AO: Cationic trypsin
AP: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2010 Å2
ΔGint-6 kcal/mol
Surface area15390 Å2
手法PISA
9
AQ: Cationic trypsin
AR: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1930 Å2
ΔGint-8 kcal/mol
Surface area15390 Å2
手法PISA
10
AS: Cationic trypsin
AT: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2050 Å2
ΔGint-8 kcal/mol
Surface area15350 Å2
手法PISA
11
AU: Cationic trypsin
AV: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2020 Å2
ΔGint-9 kcal/mol
Surface area15320 Å2
手法PISA
12
BA: Cationic trypsin
BB: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2000 Å2
ΔGint-9 kcal/mol
Surface area15350 Å2
手法PISA
13
BC: Cationic trypsin
BD: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1960 Å2
ΔGint-5 kcal/mol
Surface area15460 Å2
手法PISA
14
BE: Cationic trypsin
BF: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1970 Å2
ΔGint-7 kcal/mol
Surface area15430 Å2
手法PISA
15
BG: Cationic trypsin
BH: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1980 Å2
ΔGint-9 kcal/mol
Surface area15400 Å2
手法PISA
16
BI: Cationic trypsin
BJ: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1970 Å2
ΔGint-6 kcal/mol
Surface area15340 Å2
手法PISA
17
BK: Cationic trypsin
BL: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2000 Å2
ΔGint-8 kcal/mol
Surface area15390 Å2
手法PISA
18
BM: Cationic trypsin
BN: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2000 Å2
ΔGint-7 kcal/mol
Surface area15420 Å2
手法PISA
19
BO: Cationic trypsin
BP: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1990 Å2
ΔGint-9 kcal/mol
Surface area15420 Å2
手法PISA
20
BQ: Cationic trypsin
BR: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2090 Å2
ΔGint-6 kcal/mol
Surface area15300 Å2
手法PISA
21
BS: Cationic trypsin
BT: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1980 Å2
ΔGint-6 kcal/mol
Surface area15310 Å2
手法PISA
22
BU: Cationic trypsin
BV: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1990 Å2
ΔGint-9 kcal/mol
Surface area15410 Å2
手法PISA
23
CA: Cationic trypsin
CB: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2080 Å2
ΔGint-9 kcal/mol
Surface area15360 Å2
手法PISA
24
CC: Cationic trypsin
CD: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1930 Å2
ΔGint-6 kcal/mol
Surface area15370 Å2
手法PISA
25
CE: Cationic trypsin
CF: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2030 Å2
ΔGint-6 kcal/mol
Surface area15310 Å2
手法PISA
26
CG: Cationic trypsin
CH: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2020 Å2
ΔGint-8 kcal/mol
Surface area15300 Å2
手法PISA
27
CI: Cationic trypsin
CJ: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1930 Å2
ΔGint-8 kcal/mol
Surface area15420 Å2
手法PISA
28
CK: Cationic trypsin
CL: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2040 Å2
ΔGint-6 kcal/mol
Surface area15250 Å2
手法PISA
29
CM: Cationic trypsin
CN: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2010 Å2
ΔGint-8 kcal/mol
Surface area15290 Å2
手法PISA
30
CO: Cationic trypsin
CP: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1940 Å2
ΔGint-7 kcal/mol
Surface area15460 Å2
手法PISA
31
CQ: Cationic trypsin
CR: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2050 Å2
ΔGint-8 kcal/mol
Surface area15250 Å2
手法PISA
32
CS: Cationic trypsin
CT: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2030 Å2
ΔGint-6 kcal/mol
Surface area15230 Å2
手法PISA
33
CU: Cationic trypsin
CV: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1900 Å2
ΔGint-7 kcal/mol
Surface area15610 Å2
手法PISA
34
DA: Cationic trypsin
DB: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1920 Å2
ΔGint-7 kcal/mol
Surface area15460 Å2
手法PISA
35
DC: Cationic trypsin
DD: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2050 Å2
ΔGint-8 kcal/mol
Surface area15240 Å2
手法PISA
36
DE: Cationic trypsin
DF: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2030 Å2
ΔGint-8 kcal/mol
Surface area15310 Å2
手法PISA
37
DG: Cationic trypsin
DH: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2050 Å2
ΔGint-8 kcal/mol
Surface area15410 Å2
手法PISA
38
DI: Cationic trypsin
DJ: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1990 Å2
ΔGint-7 kcal/mol
Surface area15460 Å2
手法PISA
39
DK: Cationic trypsin
DL: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2030 Å2
ΔGint-10 kcal/mol
Surface area15300 Å2
手法PISA
40
DM: Cationic trypsin
DN: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2020 Å2
ΔGint-9 kcal/mol
Surface area15400 Å2
手法PISA
41
DO: Cationic trypsin
DP: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1990 Å2
ΔGint-7 kcal/mol
Surface area15320 Å2
手法PISA
42
DQ: Cationic trypsin
DR: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1940 Å2
ΔGint-7 kcal/mol
Surface area15360 Å2
手法PISA
43
DS: Cationic trypsin
DT: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2070 Å2
ΔGint-11 kcal/mol
Surface area15270 Å2
手法PISA
44
DU: Cationic trypsin
DV: Kunitz-type inihibitor


分子量 (理論値)分子数
合計 (水以外)41,1642
ポリマ－41,1642
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area1970 Å2
ΔGint-7 kcal/mol
Surface area15220 Å2
手法PISA
単位格子
Length a, b, c (Å)137.167, 483.880, 137.010
Angle α, β, γ (deg.)90.000, 116.760, 90.000
Int Tables number4
Space group name H-MP1211
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11chain AB
21chain AD
31chain AF
41chain AH
51chain AJ
61chain AL
71chain AN
81chain AP
91chain AR
101chain AT
111chain AV
121chain BB
131chain BD
141chain BF
151chain BH
161chain BJ
171chain BL
181chain BN
191chain BP
201chain BR
211chain BT
221chain BV
231chain CB
241chain CD
251chain CF
261chain CH
271chain CJ
281chain CL
291chain CN
301chain CP
311chain CR
321chain CT
331chain CV
341chain DB
351chain DD
361chain DF
371chain DH
381chain DJ
391chain DL
401chain DN
411chain DP
421chain DR
431chain DT
441chain DV
12chain AA
22chain AC
32chain AE
42chain AG
52chain AI
62chain AK
72chain AM
82chain AO
92chain AQ
102chain AS
112chain AU
122chain BA
132chain BC
142chain BE
152chain BG
162chain BI
172chain BK
182chain BM
192chain BO
202chain BQ
212chain BS
222chain BU
232chain CA
242chain CC
252chain CE
262chain CG
272chain CI
282chain CK
292chain CM
302chain CO
312chain CQ
322chain CS
332chain CU
342chain DA
352chain DC
362chain DE
372chain DG
382chain DI
392chain DK
402chain DM
412chain DO
422chain DQ
432chain DS
442chain DU

NCSドメイン領域:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111chain ABAB1 - 163
211chain ADAD1 - 163
311chain AFAF1 - 163
411chain AHAH1 - 163
511chain AJAJ1 - 163
611chain ALAL1 - 163
711chain ANAN1 - 163
811chain APAP1 - 163
911chain ARAR1 - 163
1011chain ATAT1 - 163
1111chain AVAV1 - 163
1211chain BBBB1 - 163
1311chain BDBD1 - 163
1411chain BFBF1 - 163
1511chain BHBH1 - 163
1611chain BJBJ1 - 163
1711chain BLBL1 - 163
1811chain BNBN1 - 163
1911chain BPBP1 - 163
2011chain BRBR1 - 163
2111chain BTBT1 - 163
2211chain BVBV1 - 163
2311chain CBCB1 - 163
2411chain CDCD1 - 163
2511chain CFCF1 - 163
2611chain CHCH1 - 163
2711chain CJCJ1 - 163
2811chain CLCL1 - 163
2911chain CNCN1 - 163
3011chain CPCP1 - 163
3111chain CRCR1 - 163
3211chain CTCT1 - 163
3311chain CVCV1 - 163
3411chain DBDB1 - 163
3511chain DDDD1 - 163
3611chain DFDF1 - 163
3711chain DHDH1 - 163
3811chain DJDJ1 - 163
3911chain DLDL1 - 163
4011chain DNDN1 - 163
4111chain DPDP1 - 163
4211chain DRDR1 - 163
4311chain DTDT1 - 163
4411chain DVDV1 - 163
112chain AAAA16 - 238
212chain ACAC16 - 238
312chain AEAE16 - 238
412chain AGAG16 - 238
512chain AIAI16 - 238
612chain AKAK16 - 238
712chain AMAM16 - 238
812chain AOAO16 - 238
912chain AQAQ16 - 238
1012chain ASAS16 - 238
1112chain AUAU16 - 238
1212chain BABA16 - 238
1312chain BCBC16 - 238
1412chain BEBE16 - 238
1512chain BGBG16 - 238
1612chain BIBI16 - 238
1712chain BKBK16 - 238
1812chain BMBM16 - 238
1912chain BOBO16 - 238
2012chain BQBQ16 - 238
2112chain BSBS16 - 238
2212chain BUBU16 - 238
2312chain CACA16 - 238
2412chain CCCC16 - 238
2512chain CECE16 - 238
2612chain CGCG16 - 238
2712chain CICI16 - 238
2812chain CKCK16 - 238
2912chain CMCM16 - 238
3012chain COCO16 - 238
3112chain CQCQ16 - 238
3212chain CSCS16 - 238
3312chain CUCU16 - 238
3412chain DADA16 - 238
3512chain DCDC16 - 238
3612chain DEDE16 - 238
3712chain DGDG16 - 238
3812chain DIDI16 - 238
3912chain DKDK16 - 238
4012chain DMDM16 - 238
4112chain DODO16 - 238
4212chain DQDQ16 - 238
4312chain DSDS16 - 238
4412chain DUDU16 - 238

NCSアンサンブル:
ID
1
2

-
要素

#1: タンパク質 ...
Cationic trypsin / Beta-trypsin


分子量: 23324.287 Da / 分子数: 44 / 由来タイプ: 組換発現 / 由来: (組換発現) Bos taurus (ウシ) / 発現宿主: Bos taurus (ウシ) / 参照: UniProt: P00760, トリプシン
#2: タンパク質 ...
Kunitz-type inihibitor


分子量: 17839.266 Da / 分子数: 44 / 由来タイプ: 組換発現 / 由来: (組換発現) Bauhinia bauhinioides (マメ科) / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: Q6VEQ7

-
実験情報

-
実験

実験手法: X線回折 / 使用した結晶の数: 1

-
試料調製

結晶マシュー密度: 2.24 Å3/Da / 溶媒含有率: 45.13 %
解説: The authors state that this structure was determined at low resolution and its primary aim was to determine the arrangement of the molecules in the unit cell, rather than provide detailed ...解説: The authors state that this structure was determined at low resolution and its primary aim was to determine the arrangement of the molecules in the unit cell, rather than provide detailed information about the protein complexes. The latter information is available for crystals grown in a different space group.
結晶化温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8 / 詳細: 17.5% PEG3350

-
データ収集

回折平均測定温度: 100 K
放射光源由来: シンクロトロン / サイト: APS / ビームライン: 22-ID / 波長: 1 Å
検出器タイプ: RAYONIX MX300-HS / 検出器: CCD / 日付: 2016年11月12日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 1 Å / 相対比: 1
反射解像度: 3.96→50 Å / Num. obs: 124813 / % possible obs: 88.7 % / Observed criterion σ(I): -3 / 冗長度: 4 % / Rpim(I) all: 0.07 / Rrim(I) all: 0.153 / Rsym value: 0.135 / Net I/σ(I): 8.16
反射 シェル解像度: 3.96→4.03 Å / 冗長度: 2.1 % / Mean I/σ(I) obs: 3.01 / Num. unique obs: 2619 / Rpim(I) all: 0.201 / Rrim(I) all: 0.346 / Rsym value: 0.279 / % possible all: 37.3

-
解析

ソフトウェア
名称バージョン分類
PHENIX(1.12_2829)精密化
PDB_EXTRACT3.24データ抽出
HKL-2000データ削減
HKL-2000データスケーリング
PHASER位相決定
精密化解像度: 3.96→49.23 Å / SU ML: 0.45 / 交差検証法: THROUGHOUT / σ(F): 1.34 / 位相誤差: 27.91
Rfactor反射数%反射
Rfree0.2815 5830 4.92 %
Rwork0.226 --
obs0.2288 118576 85.11 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å
原子変位パラメータBiso max: 193.81 Å2 / Biso mean: 71.2828 Å2 / Biso min: 13.8 Å2
精密化ステップサイクル: final / 解像度: 3.96→49.23 Å
タンパク質核酸リガンド溶媒全体
原子数127116 0 0 0 127116
残基数----16984
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-ID数Refine-IDRmsタイプ
11AB34968X-RAY DIFFRACTION5.494TORSIONAL
12AD34968X-RAY DIFFRACTION5.494TORSIONAL
13AF34968X-RAY DIFFRACTION5.494TORSIONAL
14AH34968X-RAY DIFFRACTION5.494TORSIONAL
15AJ34968X-RAY DIFFRACTION5.494TORSIONAL
16AL34968X-RAY DIFFRACTION5.494TORSIONAL
17AN34968X-RAY DIFFRACTION5.494TORSIONAL
18AP34968X-RAY DIFFRACTION5.494TORSIONAL
19AR34968X-RAY DIFFRACTION5.494TORSIONAL
110AT34968X-RAY DIFFRACTION5.494TORSIONAL
111AV34968X-RAY DIFFRACTION5.494TORSIONAL
112BB34968X-RAY DIFFRACTION5.494TORSIONAL
113BD34968X-RAY DIFFRACTION5.494TORSIONAL
114BF34968X-RAY DIFFRACTION5.494TORSIONAL
115BH34968X-RAY DIFFRACTION5.494TORSIONAL
116BJ34968X-RAY DIFFRACTION5.494TORSIONAL
117BL34968X-RAY DIFFRACTION5.494TORSIONAL
118BN34968X-RAY DIFFRACTION5.494TORSIONAL
119BP34968X-RAY DIFFRACTION5.494TORSIONAL
120BR34968X-RAY DIFFRACTION5.494TORSIONAL
121BT34968X-RAY DIFFRACTION5.494TORSIONAL
122BV34968X-RAY DIFFRACTION5.494TORSIONAL
123CB34968X-RAY DIFFRACTION5.494TORSIONAL
124CD34968X-RAY DIFFRACTION5.494TORSIONAL
125CF34968X-RAY DIFFRACTION5.494TORSIONAL
126CH34968X-RAY DIFFRACTION5.494TORSIONAL
127CJ34968X-RAY DIFFRACTION5.494TORSIONAL
128CL34968X-RAY DIFFRACTION5.494TORSIONAL
129CN34968X-RAY DIFFRACTION5.494TORSIONAL
130CP34968X-RAY DIFFRACTION5.494TORSIONAL
131CR34968X-RAY DIFFRACTION5.494TORSIONAL
132CT34968X-RAY DIFFRACTION5.494TORSIONAL
133CV34968X-RAY DIFFRACTION5.494TORSIONAL
134DB34968X-RAY DIFFRACTION5.494TORSIONAL
135DD34968X-RAY DIFFRACTION5.494TORSIONAL
136DF34968X-RAY DIFFRACTION5.494TORSIONAL
137DH34968X-RAY DIFFRACTION5.494TORSIONAL
138DJ34968X-RAY DIFFRACTION5.494TORSIONAL
139DL34968X-RAY DIFFRACTION5.494TORSIONAL
140DN34968X-RAY DIFFRACTION5.494TORSIONAL
141DP34968X-RAY DIFFRACTION5.494TORSIONAL
142DR34968X-RAY DIFFRACTION5.494TORSIONAL
143DT34968X-RAY DIFFRACTION5.494TORSIONAL
144DV34968X-RAY DIFFRACTION5.494TORSIONAL
21AA45663X-RAY DIFFRACTION5.494TORSIONAL
22AC45663X-RAY DIFFRACTION5.494TORSIONAL
23AE45663X-RAY DIFFRACTION5.494TORSIONAL
24AG45663X-RAY DIFFRACTION5.494TORSIONAL
25AI45663X-RAY DIFFRACTION5.494TORSIONAL
26AK45663X-RAY DIFFRACTION5.494TORSIONAL
27AM45663X-RAY DIFFRACTION5.494TORSIONAL
28AO45663X-RAY DIFFRACTION5.494TORSIONAL
29AQ45663X-RAY DIFFRACTION5.494TORSIONAL
210AS45663X-RAY DIFFRACTION5.494TORSIONAL
211AU45663X-RAY DIFFRACTION5.494TORSIONAL
212BA45663X-RAY DIFFRACTION5.494TORSIONAL
213BC45663X-RAY DIFFRACTION5.494TORSIONAL
214BE45663X-RAY DIFFRACTION5.494TORSIONAL
215BG45663X-RAY DIFFRACTION5.494TORSIONAL
216BI45663X-RAY DIFFRACTION5.494TORSIONAL
217BK45663X-RAY DIFFRACTION5.494TORSIONAL
218BM45663X-RAY DIFFRACTION5.494TORSIONAL
219BO45663X-RAY DIFFRACTION5.494TORSIONAL
220BQ45663X-RAY DIFFRACTION5.494TORSIONAL
221BS45663X-RAY DIFFRACTION5.494TORSIONAL
222BU45663X-RAY DIFFRACTION5.494TORSIONAL
223CA45663X-RAY DIFFRACTION5.494TORSIONAL
224CC45663X-RAY DIFFRACTION5.494TORSIONAL
225CE45663X-RAY DIFFRACTION5.494TORSIONAL
226CG45663X-RAY DIFFRACTION5.494TORSIONAL
227CI45663X-RAY DIFFRACTION5.494TORSIONAL
228CK45663X-RAY DIFFRACTION5.494TORSIONAL
229CM45663X-RAY DIFFRACTION5.494TORSIONAL
230CO45663X-RAY DIFFRACTION5.494TORSIONAL
231CQ45663X-RAY DIFFRACTION5.494TORSIONAL
232CS45663X-RAY DIFFRACTION5.494TORSIONAL
233CU45663X-RAY DIFFRACTION5.494TORSIONAL
234DA45663X-RAY DIFFRACTION5.494TORSIONAL
235DC45663X-RAY DIFFRACTION5.494TORSIONAL
236DE45663X-RAY DIFFRACTION5.494TORSIONAL
237DG45663X-RAY DIFFRACTION5.494TORSIONAL
238DI45663X-RAY DIFFRACTION5.494TORSIONAL
239DK45663X-RAY DIFFRACTION5.494TORSIONAL
240DM45663X-RAY DIFFRACTION5.494TORSIONAL
241DO45663X-RAY DIFFRACTION5.494TORSIONAL
242DQ45663X-RAY DIFFRACTION5.494TORSIONAL
243DS45663X-RAY DIFFRACTION5.494TORSIONAL
244DU45663X-RAY DIFFRACTION5.494TORSIONAL
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.98540.0720.13891.24540.6610.9472-0.16150.2632-0.0224-0.39990.153-0.3930.15210.18420.05471.0087-0.08020.14910.607-0.05790.403316.8853102.3193-13.0604
20.8263-0.1922-0.33661.00280.05231.0570.005-0.43620.40191.3419-0.2182-0.39850.32950.08180.10970.885-0.1168-0.07640.6491-0.07520.521418.4337115.864814.3819
30.72270.0326-0.07231.01080.26750.8612-0.2280.2567-0.07150.04520.00891.62540.4737-0.80930.19740.841-0.1814-0.01370.77720.02381.6541-18.9879124.14311.7224
41.19540.13620.20511.5764-0.02661.0732-0.12850.1642-0.1468-1.30910.0980.11030.00350.00760.04240.7316-0.1123-0.02950.4131-0.03250.49385.263136.4354-12.7847
50.95450.0402-0.17931.0571-0.2550.8318-0.1969-0.5603-0.11350.75430.3032-0.4540.08330.0796-0.07250.57510.1663-0.18680.78550.0390.479410.4327148.711725.2127
61.0421-0.20640.19670.75070.10870.7722-0.1473-0.3291-0.3567-0.28230.35190.67270.1884-0.4422-0.11110.28230.0089-0.08040.55690.12720.3882-13.1203159.19588.7766
70.8113-0.26190.26030.91390.08861.10480.21810.1846-0.2039-1.0135-0.1004-0.8816-0.01280.3636-0.14150.8192-0.0120.2240.4766-0.16350.268920.5246168.0669-14.3454
81.0696-0.0794-0.20190.85030.00950.8218-0.1431-0.46350.39240.21290.1479-0.1958-0.03670.19910.00490.34940.0051-0.04970.4554-0.10890.339714.5591182.28912.1147
90.60430.36170.20630.8963-0.16261.01470.05680.0862-0.1153-0.70610.9481.48160.3974-0.5041-0.26090.7592-0.6921-0.64760.77950.56341.248-17.5267188.1411-10.5941
100.9913-0.07930.22372.0337-0.28680.70340.14750.0857-0.1384-0.9184-0.0493-0.53460.23930.1255-0.07430.5274-0.0568-0.07440.5204-0.03260.278.4191202.4693-17.3547
111.0914-0.1279-0.01380.7373-0.34210.8863-0.0343-0.23420.05370.17280.07090.05660.0738-0.0878-0.01040.16710.0503-0.01070.4579-0.03760.18672.0012213.649221.0477
120.6416-0.2939-0.00221.48030.00720.77680.47770.41690.0428-0.5194-0.39261.005-0.1211-0.6435-0.0496-0.25950.1939-0.38420.87580.0420.1193-16.9283223.151-1.1242
130.8598-0.26960.17791.4123-0.12180.678-0.02-0.1665-0.1671-0.83140.0683-0.0548-0.07660.54370.0590.5736-0.11510.18430.7147-0.08120.422221.2101235.2201-12.409
141.4048-0.12290.10061.1988-0.10.8454-0.2127-0.3506-0.23390.28830.00660.147-0.43490.30240.01920.3454-0.049-0.08180.5443-0.00870.41236.4363248.163911.208
150.72510.3661-0.18720.73150.08780.7970.12020.3444-0.0785-0.25950.09770.23720.116-0.3706-0.08651.12720.0241-0.59730.825-0.00230.3573-17.8561254.1275-19.1845
160.75230.10490.1581.021-0.01740.61120.30770.13330.2327-0.4260.0739-0.7994-0.07590.3328-0.23161.2295-0.0429-0.11510.7344-0.14310.03379.0614269.0086-18.4859
171.06660.41030.18340.9543-0.25760.9088-0.4526-0.82730.2101-0.6643-0.71290.07660.946-0.55550.11331.3025-0.20150.99930.21831.0262-2.0896-9.8532279.211815.2609
180.52780.1664-0.37091.35330.10880.69190.17240.47630.0841-0.7662-0.09870.70920.2908-0.4059-0.09241.05470.2381-0.08130.74590.0420.4414-20.0219289.8767-11.8239
190.8379-0.1536-0.22550.71670.15940.8636-0.1363-0.19090.2893-0.18750.1399-0.21320.03270.5071-0.14220.90720.0810.27960.69270.14270.507419.9352301.2232-9.2014
200.97-0.003-0.20770.7522-00.6087-0.079-0.2367-0.13970.91840.16810.2545-0.16660.35890.00730.81150.00540.82090.41340.554-0.7994-1.2508313.20369.3126
210.47660.1769-0.16270.57810.10740.8855-0.05490.5174-0.0213-1.2523-0.0730.16060.6267-0.3840.11541.60990.0779-0.07381.2124-0.06060.6669-15.348323.208-26.0497
220.46080.0421-0.05721.1555-0.51110.97470.01350.087-0.1881-0.3195-0.5164-1.216-0.3250.63120.16221.54280.32860.89460.84120.32330.156910.5757335.9306-16.3817
230.7028-0.2706-0.19920.93660.0250.54470.02160.39410.2858-0.5306-0.03-0.62170.0711-0.05640.02931.17070.18620.29060.68230.00690.828678.1914330.58-16.9051
241.10430.1125-0.23841.3879-0.06961.35750.2709-0.02110.1537-0.2673-0.07540.9228-0.4075-0.0977-0.18050.83560.1972-0.0120.4839-0.02550.514755.2352318.9142-0.3401
250.9616-0.0228-0.08420.7131-0.0120.7590.2895-0.51560.20270.96260.2236-0.72660.17080.3778-0.30831.46990.1399-0.46240.9233-0.23611.108187.6311308.977920.6541
261.05940.1084-0.04940.84050.10450.6698-0.26590.3084-0.0857-0.55420.3733-1.2378-0.32470.13890.00260.91940.14690.10380.4675-0.18710.965682.8597296.0189-6.6127
270.7634-0.04170.2380.6136-0.26810.9034-0.2557-0.3272-0.14680.67980.12510.5142-0.289-0.63350.08590.89460.17760.33850.72430.02650.791448.7035287.360813.1787
280.45790.23630.1890.76190.01750.8227-0.0762-0.61220.04961.3979-0.2463-0.85460.22390.56230.25251.34760.1247-0.35830.92240.07980.737975.6458274.223921.0664
290.9263-0.0176-0.12841.0562-0.21770.7620.01750.20430.1964-0.25620.04370.16160.0933-0.1472-0.06490.34990.01060.09390.43750.12760.29870.7332265.806-18.7203
300.50810.2597-0.05821.0910.06521.02430.10240.10120.23260.6304-0.07411.2624-0.1238-0.1336-0.02840.54720.01890.41720.42970.03980.604552.2037253.41152.3046
310.69240.48220.26241.0846-0.10671.1232-0.234-0.37140.22871.1206-0.2862-0.5004-0.63030.65920.19910.7943-0.1479-0.39890.5776-0.08250.682189.148241.33412.7659
321.0536-0.32470.01440.92770.31860.7321-0.05840.19760.201-0.41520.001-0.42970.01920.02920.05680.4188-0.00290.12070.44250.04430.318175.8733230.4554-12.767
330.84520.01190.12380.47710.19580.5025-0.0679-0.68380.43331.19950.16050.7440.1201-0.25460.03510.6534-0.49461.6360.45620.34910.126849.3345222.544318.616
340.96570.1456-0.20610.91920.21111.11820.6687-0.1911-0.20140.99530.0862-1.31770.41870.2967-0.07851.2382-0.21750.27860.3950.2407-0.496176.2227207.883215.3595
351.55970.0597-0.33871.1046-0.33611.01020.3450.1717-0.1802-0.1636-0.02860.2702-0.2335-0.074-0.28560.4433-0.0494-0.08530.52310.08350.463656.4811201.6314-18.1215
360.94910.15830.00380.6156-0.28610.98830.1889-0.0043-0.0220.38270.19650.9467-0.2109-0.2463-0.24420.4385-0.02430.15330.5210.09920.70746.9076187.76477.7061
370.50480.0534-0.01670.4922-0.07880.59650.1387-0.0299-0.1410.0688-0.3246-0.4012-0.36840.37660.05650.0982-0.0386-0.24690.52170.12090.869986.9637177.1173.0712
381.10450.0394-0.08880.7877-0.21650.58180.06990.3488-0.0483-0.3935-0.0070.34610.2142-0.3155-0.03440.3899-0.0538-0.10580.4893-0.00970.429665.5613167.0925-16.4139
390.9102-0.2567-0.1011.14950.24090.9641-0.11950.00510.12890.59350.09140.41760.1763-0.07840.11310.53320.05750.18870.47960.14450.895353.5324153.698517.965
400.83530.2059-0.21610.7579-0.06361.0114-0.041-0.0440.14160.18230.206-0.74020.24940.2825-0.09740.40460.0483-0.14770.4850.06940.823179.1462142.06446.367
410.78980.05170.24950.8043-0.07560.659-0.04140.98070.0734-1.00970.00070.6522-0.0031-0.23870.07921.2027-0.0285-0.55491.1362-0.04331.174352.5695134.649-22.5181
420.86450.05010.31450.86930.14390.50580.0783-0.1705-0.23950.21120.00110.96990.3036-0.4744-0.09690.7092-0.20820.13360.6340.04031.305950.4389119.93234.3256
430.85960.2070.23050.86240.40120.88340.110.16460.2446-0.48690.0146-1.0476-0.19650.2715-0.11270.9228-0.12350.26210.5015-0.05111.260888.7974111.3323-7.5744
440.7101-0.06890.03680.98990.18120.9279-0.06210.49890.1158-1.2747-0.38140.61190.1883-0.39610.36831.25120.027-0.13230.7103-0.09920.786664.621599.5699-22.5929
451.17410.4926-0.31332.37660.1131.4383-0.45530.66140.1471-2.52640.6025-0.25090.8625-0.0083-0.08081.4964-0.14410.14220.68340.02490.7501-16.48331.453144.8971
460.83130.1711-0.01410.9844-0.02360.79410.06230.0282-0.1805-1.00940.56291.8125-0.0355-0.3305-0.21250.16250.666-1.5168-0.25551.09641.556-40.8539318.303857.7593
471.9523-0.0986-0.28361.06830.31590.810.1246-0.58990.50190.9420.2691-0.8208-0.08070.3215-0.29930.91010.1463-0.25480.76-0.20070.8505-12.3198307.810583.209
480.6619-0.16010.42321.36160.15560.64110.27010.7854-0.1536-2.0264-0.4081-0.98930.12570.01150.0241.40990.33810.06580.7986-0.14140.743-12.0013296.366154.6774
490.8789-0.15280.30990.77260.34560.9486-0.3205-0.25061.0740.8737-0.31271.37360.18-0.64470.175-2.88071.7307-0.2789-0.28720.26811.0238-49.2144286.62369.4325
500.95170.12650.18181.15260.42570.8988-0.0649-0.29150.17061.0842-0.2107-1.15240.16580.20180.11620.44420.1201-0.17580.59820.15560.6934-23.4295273.714880.234
510.853-0.3518-0.05391.28130.14010.56330.32090.21370.2577-1.6871-0.2774-0.7378-0.1607-0.012-0.02180.6785-0.01070.40110.51150.14050.5326-23.385265.869240.9734
520.5856-0.08910.05421.6629-0.12831.23080.1175-0.1281-0.03750.18390.3291.4285-0.4188-0.0389-0.1257-0.27060.1271-0.09940.46940.19310.3048-44.2884252.787958.9141
531.22880.4581-0.34211.62840.16130.62970.2274-0.14640.15790.5434-0.0982-0.3389-0.04130.2126-0.04460.23820.0134-0.08740.4565-0.00580.2616-10.0345241.11775.319
540.9381-0.18970.09730.8393-0.00120.43230.21210.871-0.2876-1.459-0.00130.04490.25550.3295-0.0073-0.38840.22760.37690.6878-0.05870.1251-17.9763230.828147.3437
551.0787-0.3191-0.14240.75550.07350.6397-0.5852-0.4812-0.37340.43570.66450.81070.7238-0.4137-0.0529-0.49290.05520.34420.56310.32330.7246-49.3829221.249473.0175
561.040.1829-0.2390.91330.0681.12050.269-0.0076-0.49550.25590.0509-0.42990.37580.1172-0.03020.2315-0.0581-0.03280.25590.15770.2827-22.2018207.285874.6329
570.9234-0.09030.03040.8846-0.0720.8157-0.28190.7385-0.531-0.1499-0.08570.1971-0.68290.54460.20030.8308-0.5458-0.01750.94240.09920.514-34.2112200.717437.65
580.90030.19890.30191.0482-0.07341.0124-0.4056-0.2596-0.7151-0.41410.29820.306-0.49850.00970.07490.4251-0.3045-0.13390.60210.01410.7745-48.8411186.779760.8467
590.98020.0303-0.07460.84090.55230.9015-0.09010.2796-0.52550.03420.3635-1.08530.00990.5749-0.22620.7208-0.09260.08930.6946-0.35651.5787-10.5149175.785765.7458
600.2473-0.1213-0.05540.6453-0.05060.37620.01320.5522-0.4096-1.1622-0.19360.0748-0.0718-0.05660.17131.124-0.10530.38950.9651-0.45741.382-26.6042165.459441.4979
610.9877-0.29590.11241.21480.30911.50780.2434-0.4920.40890.58890.54310.003-0.2571-0.2315-0.28760.91690.24130.43080.5754-0.05540.4672-48.1771154.318974.5731
621.33610.1134-0.21930.3839-0.19480.58440.2794-0.08520.24490.20240.3037-1.4484-0.07450.5325-0.37590.61890.02350.08030.6357-0.36981.1078-21.1513141.383168.6484
630.73440.13050.0371.19680.11421.17470.10460.7885-0.0163-1.25130.30460.1317-0.6375-0.2561-0.40011.3136-0.1076-0.08120.93840.0180.5343-42.5133.993235.6845
640.66710.18670.50352.3922-0.42871.5375-0.07660.0839-0.09870.5550.20591.1355-0.4047-0.4986-0.07180.24590.0888-0.12840.5182-0.00860.7317-50.0974120.470962.0809
650.91730.1805-0.21280.90790.29560.58720.42440.1267-0.33810.13730.7466-1.5741-0.34910.6922-0.4230.2154-0.6688-0.25570.2747-1.0222.7306-11.7638109.892556.3378
660.8319-0.0477-0.08580.76190.07760.5221-0.38690.4701-0.3765-1.55960.1168-0.17290.2181-0.13770.21141.023-0.09820.14720.8054-0.40510.9387-34.033598.275138.2616
671.17260.17-0.20731.15310.20480.77260.0033-0.03320.2966-0.82490.1196-1.1904-0.12810.6913-0.00780.724-0.12550.31130.7245-0.05610.980755.7157101.355350.1334
681.00190.1767-0.22331.1622-0.03840.3393-0.2894-0.4680.24971.050.0263-0.6183-0.16590.62350.12460.9388-0.0888-0.32740.8584-0.0810.851252.1141113.456878.4936
690.9627-0.0067-0.24710.7732-0.04771.33370.05670.03080.2713-0.4119-0.29871.2270.2102-0.03160.04770.4037-0.173-0.09160.3283-0.17921.13617.543122.628858.2061
700.835-0.10880.11021.61530.38210.84690.174-0.10160.2007-0.96610.0801-0.4799-0.46950.5121-0.06240.5985-0.2668-0.03850.5728-0.04440.621544.0986135.189650.228
710.93570.19690.01680.6854-0.37070.8247-0.1309-0.463-0.12840.531-0.2727-0.03860.4411-0.28720.3061.114-0.14430.14460.8736-0.04180.687140.331146.404688.2928
720.6719-0.0571-0.04710.56970.0271.21840.3880.02810.3058-0.284-0.11070.9230.3544-0.5401-0.17150.8757-0.27170.10720.7311-0.25031.279321.4867157.725166.9514
730.8985-0.2412-0.12491.13580.43431.2397-0.11190.0696-0.4032-0.2076-0.054-0.2174-0.10050.15990.13320.3744-0.0070.05810.398-0.08850.710158.7742166.900253.2475
740.9526-0.108-0.29311.65620.23140.5204-0.1949-0.1395-0.07660.9403-0.301-0.3836-0.2559-0.14140.27760.483-0.0653-0.19330.438-0.05820.699347.2991180.596278.2176
750.79550.0621-0.10010.90360.40150.65441.04020.912-1.11650.2024-0.1940.03010.2966-0.6751-0.1545-0.0916-0.7092-1.18310.2851-0.75740.866120.9022188.272749.6856
761.2189-0.1364-0.05342.63040.27530.6280.24560.3501-0.3758-0.6666-0.0363-1.2728-0.3244-0.1016-0.09180.34910.1534-0.13760.60490.01110.54248.6526201.460248.5999
770.95660.05670.07410.7764-0.07580.495-0.0715-0.21070.21340.29360.1544-0.03350.4803-0.0694-0.05290.51350.0431-0.0920.4048-0.00160.175933.012211.779685.2301
780.713-0.10450.04231.671-0.23030.97790.01150.33760.1981-0.3050.20421.02190.5285-0.367-0.10010.17960.0197-0.13520.56430.17340.079420.8806222.696159.4646
790.8532-0.3430.0680.84260.02170.8923-0.80640.6182-0.6491-0.39650.1871-0.72530.34570.58570.1693-3.12171.280.63420.2908-0.35840.998758.4812234.071157.4633
800.97610.2604-0.11821.1867-0.3180.8147-0.0562-0.2568-0.18461.8437-0.0781-0.3016-0.12750.05090.00850.27410.1429-0.24510.43990.10050.334439.7595247.449177.6684
810.56870.28440.09830.74120.0070.6756-0.43920.1856-0.0623-0.78640.3960.61880.2158-0.089-0.03030.3230.0055-0.34180.60590.12780.407421.1326252.911541.5042
820.66550.17450.10771.44010.07930.89240.09930.1358-0.1895-0.4215-0.0395-0.88050.0109-0.0017-0.00010.24820.00720.00540.52530.02590.264147.4918267.068147.6856
830.96740.2004-0.17020.8918-0.42330.7934-0.2441-0.72990.47761.2925-0.00170.23160.0194-0.3180.04980.9914-0.19660.87580.19620.66350.062122.8217278.247776.7803
840.57410.109-0.12470.85590.14020.87770.02690.26440.3204-0.68260.04511.3301-0.083-0.1708-0.06020.4260.126-0.17840.45290.1940.711818.4046288.964648.3838
850.5769-0.1226-0.09040.8482-0.07340.7671-0.1058-0.0230.07870.25230.2406-1.20790.03730.3640.0690.1006-0.05940.00480.6583-0.10980.58657.95298.668558.335
860.926-0.3119-0.05881.16810.0830.89930.0112-0.2854-0.03861.34410.0130.1481-0.2690.00350.02890.80310.09340.01370.463-0.04130.304734.3616311.775172.2767
870.63170.2703-0.22041.38920.26631.14840.3105-0.0306-0.1728-1.1308-0.25170.22630.5921-0.9182-0.03761.3563-0.3091-0.26190.91230.11760.585428.3363320.496534.3473
880.5078-0.2372-0.0091.60620.07521.3721-0.0372-0.01750.0978-0.61160.1396-1.3131-0.05810.3891-0.00170.6243-0.15010.16690.53420.08780.740451.7829333.596149.1698
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain 'AA' and resid 16 through 238)AA16 - 238
2X-RAY DIFFRACTION2(chain 'AB' and resid 1 through 163)AB1 - 163
3X-RAY DIFFRACTION3(chain 'AC' and resid 16 through 238)AC16 - 238
4X-RAY DIFFRACTION4(chain 'AD' and resid 1 through 163)AD1 - 163
5X-RAY DIFFRACTION5(chain 'AE' and resid 16 through 238)AE16 - 238
6X-RAY DIFFRACTION6(chain 'AF' and resid 1 through 163)AF1 - 163
7X-RAY DIFFRACTION7(chain 'AG' and resid 16 through 238)AG16 - 238
8X-RAY DIFFRACTION8(chain 'AH' and resid 1 through 163)AH1 - 163
9X-RAY DIFFRACTION9(chain 'AI' and resid 16 through 238)AI16 - 238
10X-RAY DIFFRACTION10(chain 'AJ' and resid 1 through 163)AJ1 - 163
11X-RAY DIFFRACTION11(chain 'AK' and resid 16 through 238)AK16 - 238
12X-RAY DIFFRACTION12(chain 'AL' and resid 1 through 163)AL1 - 163
13X-RAY DIFFRACTION13(chain 'AM' and resid 16 through 238)AM16 - 238
14X-RAY DIFFRACTION14(chain 'AN' and resid 1 through 163)AN1 - 163
15X-RAY DIFFRACTION15(chain 'AO' and resid 16 through 238)AO16 - 238
16X-RAY DIFFRACTION16(chain 'AP' and resid 1 through 163)AP1 - 163
17X-RAY DIFFRACTION17(chain 'AQ' and resid 16 through 238)AQ16 - 238
18X-RAY DIFFRACTION18(chain 'AR' and resid 1 through 163)AR1 - 163
19X-RAY DIFFRACTION19(chain 'AS' and resid 16 through 238)AS16 - 238
20X-RAY DIFFRACTION20(chain 'AT' and resid 1 through 163)AT1 - 163
21X-RAY DIFFRACTION21(chain 'AU' and resid 16 through 238)AU16 - 238
22X-RAY DIFFRACTION22(chain 'AV' and resid 1 through 163)AV1 - 163
23X-RAY DIFFRACTION23(chain 'BA' and resid 16 through 238)BA16 - 238
24X-RAY DIFFRACTION24(chain 'BB' and resid 1 through 163)BB1 - 163
25X-RAY DIFFRACTION25(chain 'BC' and resid 16 through 238)BC16 - 238
26X-RAY DIFFRACTION26(chain 'BD' and resid 1 through 163)BD1 - 163
27X-RAY DIFFRACTION27(chain 'BE' and resid 16 through 238)BE16 - 238
28X-RAY DIFFRACTION28(chain 'BF' and resid 1 through 163)BF1 - 163
29X-RAY DIFFRACTION29(chain 'BG' and resid 16 through 238)BG16 - 238
30X-RAY DIFFRACTION30(chain 'BH' and resid 1 through 163)BH1 - 163
31X-RAY DIFFRACTION31(chain 'BI' and resid 16 through 238)BI16 - 238
32X-RAY DIFFRACTION32(chain 'BJ' and resid 1 through 163)BJ1 - 163
33X-RAY DIFFRACTION33(chain 'BK' and resid 16 through 238)BK16 - 238
34X-RAY DIFFRACTION34(chain 'BL' and resid 1 through 163)BL1 - 163
35X-RAY DIFFRACTION35(chain 'BM' and resid 16 through 238)BM16 - 238
36X-RAY DIFFRACTION36(chain 'BN' and resid 1 through 163)BN1 - 163
37X-RAY DIFFRACTION37(chain 'BO' and resid 16 through 238)BO16 - 238
38X-RAY DIFFRACTION38(chain 'BP' and resid 1 through 163)BP1 - 163
39X-RAY DIFFRACTION39(chain 'BQ' and resid 16 through 238)BQ16 - 238
40X-RAY DIFFRACTION40(chain 'BR' and resid 1 through 163)BR1 - 163
41X-RAY DIFFRACTION41(chain 'BS' and resid 16 through 238)BS16 - 238
42X-RAY DIFFRACTION42(chain 'BT' and resid 1 through 163)BT1 - 163
43X-RAY DIFFRACTION43(chain 'BU' and resid 16 through 238)BU16 - 238
44X-RAY DIFFRACTION44(chain 'BV' and resid 1 through 163)BV1 - 163
45X-RAY DIFFRACTION45(chain 'CA' and resid 16 through 238)CA16 - 238
46X-RAY DIFFRACTION46(chain 'CB' and resid 1 through 163)CB1 - 163
47X-RAY DIFFRACTION47(chain 'CC' and resid 16 through 238)CC16 - 238
48X-RAY DIFFRACTION48(chain 'CD' and resid 1 through 163)CD1 - 163
49X-RAY DIFFRACTION49(chain 'CE' and resid 16 through 238)CE16 - 238
50X-RAY DIFFRACTION50(chain 'CF' and resid 1 through 163)CF1 - 163
51X-RAY DIFFRACTION51(chain 'CG' and resid 16 through 238)CG16 - 238
52X-RAY DIFFRACTION52(chain 'CH' and resid 1 through 163)CH1 - 163
53X-RAY DIFFRACTION53(chain 'CI' and resid 16 through 238)CI16 - 238
54X-RAY DIFFRACTION54(chain 'CJ' and resid 1 through 163)CJ1 - 163
55X-RAY DIFFRACTION55(chain 'CK' and resid 16 through 238)CK16 - 238
56X-RAY DIFFRACTION56(chain 'CL' and resid 1 through 163)CL1 - 163
57X-RAY DIFFRACTION57(chain 'CM' and resid 16 through 238)CM16 - 238
58X-RAY DIFFRACTION58(chain 'CN' and resid 1 through 163)CN1 - 163
59X-RAY DIFFRACTION59(chain 'CO' and resid 16 through 238)CO16 - 238
60X-RAY DIFFRACTION60(chain 'CP' and resid 1 through 163)CP1 - 163
61X-RAY DIFFRACTION61(chain 'CQ' and resid 16 through 238)CQ16 - 238
62X-RAY DIFFRACTION62(chain 'CR' and resid 1 through 163)CR1 - 163
63X-RAY DIFFRACTION63(chain 'CS' and resid 16 through 238)CS16 - 238
64X-RAY DIFFRACTION64(chain 'CT' and resid 1 through 163)CT1 - 163
65X-RAY DIFFRACTION65(chain 'CU' and resid 16 through 238)CU16 - 238
66X-RAY DIFFRACTION66(chain 'CV' and resid 1 through 163)CV1 - 163
67X-RAY DIFFRACTION67(chain 'DA' and resid 16 through 238)DA16 - 238
68X-RAY DIFFRACTION68(chain 'DB' and resid 1 through 163)DB1 - 163
69X-RAY DIFFRACTION69(chain 'DC' and resid 16 through 238)DC16 - 238
70X-RAY DIFFRACTION70(chain 'DD' and resid 1 through 163)DD1 - 163
71X-RAY DIFFRACTION71(chain 'DE' and resid 16 through 238)DE16 - 238
72X-RAY DIFFRACTION72(chain 'DF' and resid 1 through 163)DF1 - 163
73X-RAY DIFFRACTION73(chain 'DG' and resid 16 through 238)DG16 - 238
74X-RAY DIFFRACTION74(chain 'DH' and resid 1 through 163)DH1 - 163
75X-RAY DIFFRACTION75(chain 'DI' and resid 16 through 238)DI16 - 238
76X-RAY DIFFRACTION76(chain 'DJ' and resid 1 through 163)DJ1 - 163
77X-RAY DIFFRACTION77(chain 'DK' and resid 16 through 238)DK16 - 238
78X-RAY DIFFRACTION78(chain 'DL' and resid 1 through 163)DL1 - 163
79X-RAY DIFFRACTION79(chain 'DM' and resid 16 through 238)DM16 - 238
80X-RAY DIFFRACTION80(chain 'DN' and resid 1 through 163)DN1 - 163
81X-RAY DIFFRACTION81(chain 'DO' and resid 16 through 238)DO16 - 238
82X-RAY DIFFRACTION82(chain 'DP' and resid 1 through 163)DP1 - 163
83X-RAY DIFFRACTION83(chain 'DQ' and resid 16 through 238)DQ16 - 238
84X-RAY DIFFRACTION84(chain 'DR' and resid 1 through 163)DR1 - 163
85X-RAY DIFFRACTION85(chain 'DS' and resid 16 through 238)DS16 - 238
86X-RAY DIFFRACTION86(chain 'DT' and resid 1 through 163)DT1 - 163
87X-RAY DIFFRACTION87(chain 'DU' and resid 16 through 238)DU16 - 238
88X-RAY DIFFRACTION88(chain 'DV' and resid 1 through 163)DV1 - 163

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万見について

-
お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月：コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか？ / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例：em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

他の情報も見る