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- PDB-7snq: Hexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand -

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基本情報

登録情報
データベース: PDB / ID: 7snq
タイトルHexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand
要素
  • Capsid protein p24
  • Cleavage and polyadenylation specificity factor subunit 6
キーワードVIRAL PROTEIN
機能・相同性
機能・相同性情報


HIV-1 retropepsin / symbiont-mediated activation of host apoptosis / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / host multivesicular body / DNA integration / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency ...HIV-1 retropepsin / symbiont-mediated activation of host apoptosis / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / host multivesicular body / DNA integration / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency / symbiont-mediated suppression of host gene expression / viral penetration into host nucleus / RNA stem-loop binding / RNA-directed DNA polymerase activity / RNA-DNA hybrid ribonuclease activity / 転移酵素; リンを含む基を移すもの; 核酸を移すもの / host cell / viral nucleocapsid / DNA recombination / DNA-directed DNA polymerase / 加水分解酵素; エステル加水分解酵素 / aspartic-type endopeptidase activity / DNA-directed DNA polymerase activity / symbiont entry into host cell / viral translational frameshifting / lipid binding / host cell nucleus / host cell plasma membrane / structural molecule activity / virion membrane / proteolysis / DNA binding / zinc ion binding / membrane
類似検索 - 分子機能
Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain ...Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain / Integrase, C-terminal, retroviral / Integrase DNA binding domain profile. / Immunodeficiency lentiviral matrix, N-terminal / gag gene protein p17 (matrix protein) / RNase H / Integrase core domain / Integrase, catalytic core / Integrase catalytic domain profile. / Retropepsin-like catalytic domain / RNase H type-1 domain profile. / Ribonuclease H domain / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain / Reverse transcriptase domain / Reverse transcriptase (RT) catalytic domain profile. / Retropepsins / Retroviral aspartyl protease / Aspartyl protease, retroviral-type family profile. / Peptidase A2A, retrovirus, catalytic / Reverse transcriptase (RNA-dependent DNA polymerase) / Retroviral matrix protein / Retrovirus capsid, C-terminal / Retrovirus capsid, N-terminal / zinc finger / Zinc knuckle / Zinc finger, CCHC-type superfamily / Zinc finger, CCHC-type / Zinc finger CCHC-type profile. / Aspartic peptidase, active site / Eukaryotic and viral aspartyl proteases active site. / Ribonuclease H superfamily / Aspartic peptidase domain superfamily / Ribonuclease H-like superfamily / Reverse transcriptase/Diguanylate cyclase domain / DNA/RNA polymerase superfamily
類似検索 - ドメイン・相同性
INOSITOL HEXAKISPHOSPHATE / Gag-Pol polyprotein
類似検索 - 構成要素
生物種Human immunodeficiency virus type 1 group M subtype B (ヒト免疫不全ウイルス)
Human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.81 Å
データ登録者Bester, S.M. / Kvaratskhelia, M.
資金援助 米国, 1件
組織認可番号
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)U54 GM103368 米国
引用ジャーナル: Nat Commun / : 2022
タイトル: Prion-like low complexity regions enable avid virus-host interactions during HIV-1 infection.
著者: Guochao Wei / Naseer Iqbal / Valentine V Courouble / Ashwanth C Francis / Parmit K Singh / Arpa Hudait / Arun S Annamalai / Stephanie Bester / Szu-Wei Huang / Nikoloz Shkriabai / Lorenzo ...著者: Guochao Wei / Naseer Iqbal / Valentine V Courouble / Ashwanth C Francis / Parmit K Singh / Arpa Hudait / Arun S Annamalai / Stephanie Bester / Szu-Wei Huang / Nikoloz Shkriabai / Lorenzo Briganti / Reed Haney / Vineet N KewalRamani / Gregory A Voth / Alan N Engelman / Gregory B Melikyan / Patrick R Griffin / Francisco Asturias / Mamuka Kvaratskhelia /
要旨: Cellular proteins CPSF6, NUP153 and SEC24C play crucial roles in HIV-1 infection. While weak interactions of short phenylalanine-glycine (FG) containing peptides with isolated capsid hexamers have ...Cellular proteins CPSF6, NUP153 and SEC24C play crucial roles in HIV-1 infection. While weak interactions of short phenylalanine-glycine (FG) containing peptides with isolated capsid hexamers have been characterized, how these cellular factors functionally engage with biologically relevant mature HIV-1 capsid lattices is unknown. Here we show that prion-like low complexity regions (LCRs) enable avid CPSF6, NUP153 and SEC24C binding to capsid lattices. Structural studies revealed that multivalent CPSF6 assembly is mediated by LCR-LCR interactions, which are templated by binding of CPSF6 FG peptides to a subset of hydrophobic capsid pockets positioned along adjoining hexamers. In infected cells, avid CPSF6 LCR-mediated binding to HIV-1 cores is essential for functional virus-host interactions. The investigational drug lenacapavir accesses unoccupied hydrophobic pockets in the complex to potently impair HIV-1 inside the nucleus without displacing the tightly bound cellular cofactor from virus cores. These results establish previously undescribed mechanisms of virus-host interactions and antiviral action.
履歴
登録2021年10月28日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02022年9月7日Provider: repository / タイプ: Initial release
改定 1.12022年10月19日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
改定 1.22023年10月18日Group: Data collection / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
改定 1.32024年10月16日Group: Structure summary
カテゴリ: pdbx_entry_details / pdbx_modification_feature
Item: _pdbx_entry_details.has_protein_modification

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

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集合体

登録構造単位
A: Capsid protein p24
B: Capsid protein p24
C: Capsid protein p24
D: Capsid protein p24
E: Capsid protein p24
F: Capsid protein p24
G: Capsid protein p24
H: Capsid protein p24
I: Capsid protein p24
J: Capsid protein p24
K: Capsid protein p24
L: Capsid protein p24
M: Cleavage and polyadenylation specificity factor subunit 6
N: Cleavage and polyadenylation specificity factor subunit 6
O: Cleavage and polyadenylation specificity factor subunit 6
P: Cleavage and polyadenylation specificity factor subunit 6
Q: Cleavage and polyadenylation specificity factor subunit 6
R: Cleavage and polyadenylation specificity factor subunit 6
S: Cleavage and polyadenylation specificity factor subunit 6
T: Cleavage and polyadenylation specificity factor subunit 6
U: Cleavage and polyadenylation specificity factor subunit 6
V: Cleavage and polyadenylation specificity factor subunit 6
W: Cleavage and polyadenylation specificity factor subunit 6
X: Cleavage and polyadenylation specificity factor subunit 6
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)326,85630
ポリマ-324,14524
非ポリマー2,7116
3,081171
1
A: Capsid protein p24
B: Capsid protein p24
C: Capsid protein p24
D: Capsid protein p24
E: Capsid protein p24
F: Capsid protein p24
M: Cleavage and polyadenylation specificity factor subunit 6
N: Cleavage and polyadenylation specificity factor subunit 6
O: Cleavage and polyadenylation specificity factor subunit 6
P: Cleavage and polyadenylation specificity factor subunit 6
Q: Cleavage and polyadenylation specificity factor subunit 6
R: Cleavage and polyadenylation specificity factor subunit 6
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)163,42815
ポリマ-162,07212
非ポリマー1,3563
1267
タイプ名称対称操作
identity operation1_555x,y,z1
2
G: Capsid protein p24
H: Capsid protein p24
I: Capsid protein p24
J: Capsid protein p24
K: Capsid protein p24
L: Capsid protein p24
S: Cleavage and polyadenylation specificity factor subunit 6
T: Cleavage and polyadenylation specificity factor subunit 6
U: Cleavage and polyadenylation specificity factor subunit 6
V: Cleavage and polyadenylation specificity factor subunit 6
W: Cleavage and polyadenylation specificity factor subunit 6
X: Cleavage and polyadenylation specificity factor subunit 6
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)163,42815
ポリマ-162,07212
非ポリマー1,3563
1267
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)133.918, 135.673, 212.880
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
d_1ens_1(chain "A" and (resid 1 through 5 or resid 10...
d_2ens_1(chain "B" and (resid 1 through 5 or resid 10...
d_3ens_1(chain "C" and (resid 1 through 5 or resid 10...
d_4ens_1(chain "D" and (resid 1 through 5 or resid 10...
d_5ens_1(chain "E" and (resid 1 through 5 or resid 10...
d_6ens_1(chain "F" and (resid 1 through 5 or resid 10...
d_7ens_1(chain "G" and (resid 1 through 5 or resid 10...
d_8ens_1(chain "H" and (resid 1 through 5 or resid 10...
d_9ens_1(chain "I" and (resid 1 through 5 or resid 10...
d_10ens_1(chain "J" and (resid 1 through 5 or resid 10...
d_11ens_1(chain "K" and (resid 1 through 5 or resid 10...
d_12ens_1(chain "L" and (resid 1 through 5 or resid 10...
d_1ens_2(chain "M" and (resid 313 or (resid 314 and (name...
d_2ens_2(chain "N" and (resid 313 or (resid 314 and (name...
d_3ens_2(chain "O" and (resid 313 or (resid 314 and (name...
d_4ens_2(chain "P" and (resid 313 or (resid 314 and (name...
d_5ens_2(chain "Q" and (resid 313 or (resid 314 and (name...
d_6ens_2(chain "R" and (resid 313 or (resid 314 and (name...
d_7ens_2(chain "S" and (resid 313 or (resid 314 and (name...
d_8ens_2(chain "T" and (resid 313 or (resid 314 and (name...
d_9ens_2(chain "U" and (resid 313 or (resid 314 and (name...
d_10ens_2(chain "V" and (resid 313 or (resid 314 and (name...
d_11ens_2(chain "W" and (resid 313 through 318 or resid 320...
d_12ens_2(chain "X" and (resid 313 or (resid 314 and (name...
d_1ens_3chain "b"
d_2ens_3chain "c"

NCSドメイン領域:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1PROASNA1 - 5
d_12ens_1METPROA10 - 17
d_13ens_1THRLEUA19 - 20
d_14ens_1ALAVALA22 - 24
d_15ens_1VALGLUA26 - 28
d_16ens_1LYSMETA30 - 66
d_17ens_1METASNA68 - 74
d_18ens_1GLUASPA76 - 81
d_19ens_1LEUHISA83 - 84
d_110ens_1GLUPROA87 - 88
d_111ens_1GLYLEUA90 - 100
d_112ens_1GLUHISA102 - 109
d_113ens_1PROLYSA111 - 120
d_114ens_1TRPVALA122 - 131
d_115ens_1METPHEA133 - 150
d_116ens_1ASPGLUA152 - 164
d_117ens_1THRTHRA175
d_118ens_1LEUPROA178 - 185
d_119ens_1CYSLYSA187 - 188
d_120ens_1LEUGLYA191 - 195
d_121ens_1ALALEUA198 - 200
d_122ens_1GLUCYSA202 - 207
d_21ens_1PROASNB1 - 5
d_22ens_1METPROB10 - 17
d_23ens_1THRLEUB19 - 20
d_24ens_1ALAVALB22 - 24
d_25ens_1VALGLUB26 - 28
d_26ens_1LYSMETB30 - 66
d_27ens_1METASNB68 - 74
d_28ens_1GLUASPB76 - 81
d_29ens_1LEUHISB83 - 84
d_210ens_1GLUPROB89 - 90
d_211ens_1GLYLEUB92 - 102
d_212ens_1GLUHISB104 - 111
d_213ens_1PROLYSB113 - 122
d_214ens_1TRPVALB124 - 133
d_215ens_1METPHEB135 - 152
d_216ens_1ASPGLUB154 - 166
d_217ens_1THRTHRB170
d_218ens_1LEUPROB173 - 180
d_219ens_1CYSLYSB182 - 183
d_220ens_1LEULEUB186 - 193
d_221ens_1GLUCYSB195 - 200
d_31ens_1PROASNC1 - 5
d_32ens_1METPROC10 - 17
d_33ens_1THRLEUC19 - 20
d_34ens_1ALAVALC22 - 24
d_35ens_1VALGLUC26 - 28
d_36ens_1LYSMETC30 - 66
d_37ens_1METASNC68 - 74
d_38ens_1GLUASPC76 - 81
d_39ens_1LEUHISC83 - 84
d_310ens_1GLUPROC86 - 87
d_311ens_1GLYLEUC89 - 99
d_312ens_1GLUHISC101 - 108
d_313ens_1PROLYSC110 - 119
d_314ens_1TRPVALC121 - 130
d_315ens_1METPHEC132 - 149
d_316ens_1ASPGLUC151 - 163
d_317ens_1THRTHRC174
d_318ens_1LEUPROC177 - 184
d_319ens_1CYSLYSC186 - 187
d_320ens_1LEUGLYC190 - 194
d_321ens_1ALALEUC197 - 199
d_322ens_1GLUCYSC201 - 206
d_41ens_1PROASND1 - 5
d_42ens_1METPROD10 - 17
d_43ens_1THRLEUD19 - 20
d_44ens_1ALAVALD22 - 24
d_45ens_1VALGLUD26 - 28
d_46ens_1LYSMETD30 - 66
d_47ens_1METASND68 - 74
d_48ens_1GLUASPD76 - 81
d_49ens_1LEUHISD83 - 84
d_410ens_1GLUPROD95 - 96
d_411ens_1GLYLEUD98 - 108
d_412ens_1GLUHISD110 - 117
d_413ens_1PROLYSD119 - 128
d_414ens_1TRPVALD130 - 139
d_415ens_1METPHED141 - 158
d_416ens_1ASPGLUD160 - 172
d_417ens_1THRTHRD176
d_418ens_1LEUPROD179 - 186
d_419ens_1CYSLYSD188 - 189
d_420ens_1LEUGLYD192 - 196
d_421ens_1ALALEUD199 - 201
d_422ens_1GLUCYSD203 - 208
d_51ens_1PROASNE1 - 5
d_52ens_1METPROE10 - 17
d_53ens_1THRLEUE19 - 20
d_54ens_1ALAVALE22 - 24
d_55ens_1VALGLUE26 - 28
d_56ens_1LYSMETE30 - 66
d_57ens_1METASNE68 - 74
d_58ens_1GLUASPE76 - 81
d_59ens_1LEUHISE83 - 84
d_510ens_1GLUPROE98 - 99
d_511ens_1GLYLEUE101 - 111
d_512ens_1GLUHISE113 - 120
d_513ens_1PROLYSE122 - 131
d_514ens_1TRPVALE133 - 142
d_515ens_1METPHEE144 - 161
d_516ens_1ASPGLUE163 - 175
d_517ens_1THRTHRE180
d_518ens_1LEUPROE183 - 190
d_519ens_1CYSLYSE192 - 193
d_520ens_1LEUGLYE196 - 200
d_521ens_1ALALEUE203 - 205
d_522ens_1GLUCYSE207 - 212
d_61ens_1PROASNF1 - 5
d_62ens_1METPROF10 - 17
d_63ens_1THRLEUF19 - 20
d_64ens_1ALAVALF22 - 24
d_65ens_1VALGLUF26 - 28
d_66ens_1LYSMETF30 - 66
d_67ens_1METASNF68 - 74
d_68ens_1GLUASPF76 - 81
d_69ens_1LEUHISF83 - 84
d_610ens_1GLUPROF91 - 92
d_611ens_1GLYLEUF94 - 104
d_612ens_1GLUHISF106 - 113
d_613ens_1PROLYSF115 - 124
d_614ens_1TRPVALF126 - 135
d_615ens_1METPHEF137 - 154
d_616ens_1ASPGLUF156 - 168
d_617ens_1THRTHRF178
d_618ens_1LEUPROF181 - 188
d_619ens_1CYSLYSF190 - 191
d_620ens_1LEUGLYF194 - 198
d_621ens_1ALALEUF201 - 203
d_622ens_1GLUCYSF205 - 210
d_71ens_1PROASNG1 - 5
d_72ens_1METPROG10 - 17
d_73ens_1THRLEUG19 - 20
d_74ens_1ALAVALG22 - 24
d_75ens_1VALGLUG26 - 28
d_76ens_1LYSMETG30 - 66
d_77ens_1METASNG68 - 74
d_78ens_1GLUASPG76 - 81
d_79ens_1LEUHISG83 - 84
d_710ens_1GLUPROG88 - 89
d_711ens_1GLYLEUG91 - 101
d_712ens_1GLUHISG103 - 110
d_713ens_1PROLYSG112 - 121
d_714ens_1TRPVALG123 - 132
d_715ens_1METPHEG134 - 151
d_716ens_1ASPGLUG153 - 165
d_717ens_1THRTHRG168
d_718ens_1LEUPROG171 - 178
d_719ens_1CYSLYSG180 - 181
d_720ens_1LEUGLYG184 - 188
d_721ens_1ALALEUG191 - 193
d_722ens_1GLUCYSG195 - 200
d_81ens_1PROASNH1 - 5
d_82ens_1METPROH10 - 17
d_83ens_1THRLEUH19 - 20
d_84ens_1ALAVALH22 - 24
d_85ens_1VALGLUH26 - 28
d_86ens_1LYSMETH30 - 66
d_87ens_1METASNH68 - 74
d_88ens_1GLUASPH76 - 81
d_89ens_1LEUHISH83 - 84
d_810ens_1GLUPROH88 - 89
d_811ens_1GLYLEUH91 - 101
d_812ens_1GLUHISH103 - 110
d_813ens_1PROLYSH112 - 121
d_814ens_1TRPVALH123 - 132
d_815ens_1METPHEH134 - 151
d_816ens_1ASPGLUH153 - 165
d_817ens_1THRTHRH176
d_818ens_1LEUPROH179 - 186
d_819ens_1CYSLYSH188 - 189
d_820ens_1LEUGLYH192 - 196
d_821ens_1ALALEUH199 - 201
d_822ens_1GLUCYSH203 - 208
d_91ens_1PROASNI1 - 5
d_92ens_1METPROI10 - 17
d_93ens_1THRLEUI19 - 20
d_94ens_1ALAVALI22 - 24
d_95ens_1VALGLUI26 - 28
d_96ens_1LYSMETI30 - 66
d_97ens_1METASNI68 - 74
d_98ens_1GLUASPI76 - 81
d_99ens_1LEUHISI83 - 84
d_910ens_1GLUPROI95 - 96
d_911ens_1GLYLEUI98 - 108
d_912ens_1GLUHISI110 - 117
d_913ens_1PROLYSI119 - 128
d_914ens_1TRPVALI130 - 139
d_915ens_1METPHEI141 - 158
d_916ens_1ASPGLUI160 - 172
d_917ens_1THRTHRI175
d_918ens_1LEUPROI178 - 185
d_919ens_1CYSLYSI187 - 188
d_920ens_1LEUGLYI191 - 195
d_921ens_1ALALEUI198 - 200
d_922ens_1GLUCYSI202 - 207
d_101ens_1PROASNJ1 - 5
d_102ens_1METPROJ10 - 17
d_103ens_1THRLEUJ19 - 20
d_104ens_1ALAVALJ22 - 24
d_105ens_1VALGLUJ26 - 28
d_106ens_1LYSMETJ30 - 66
d_107ens_1METASNJ68 - 74
d_108ens_1GLUASPJ76 - 81
d_109ens_1LEUHISJ83 - 84
d_1010ens_1GLUPROJ94 - 95
d_1011ens_1GLYLEUJ97 - 107
d_1012ens_1GLUHISJ109 - 116
d_1013ens_1PROLYSJ118 - 127
d_1014ens_1TRPVALJ129 - 138
d_1015ens_1METPHEJ140 - 157
d_1016ens_1ASPGLUJ159 - 171
d_1017ens_1THRTHRJ175
d_1018ens_1LEUPROJ178 - 185
d_1019ens_1CYSLYSJ187 - 188
d_1020ens_1LEUGLYJ191 - 195
d_1021ens_1ALALEUJ198 - 200
d_1022ens_1GLUCYSJ202 - 207
d_111ens_1PROASNK1 - 5
d_112ens_1METPROK10 - 17
d_113ens_1THRLEUK19 - 20
d_114ens_1ALAVALK22 - 24
d_115ens_1VALGLUK26 - 28
d_116ens_1LYSMETK30 - 66
d_117ens_1METASNK68 - 74
d_118ens_1GLUASPK76 - 81
d_119ens_1LEUHISK83 - 84
d_1110ens_1GLUPROK95 - 96
d_1111ens_1GLYLEUK98 - 108
d_1112ens_1GLUHISK110 - 117
d_1113ens_1PROLYSK119 - 128
d_1114ens_1TRPVALK130 - 139
d_1115ens_1METPHEK141 - 158
d_1116ens_1ASPGLUK160 - 172
d_1117ens_1THRTHRK175
d_1118ens_1LEUPROK178 - 185
d_1119ens_1CYSLYSK187 - 188
d_1120ens_1LEUGLYK191 - 195
d_1121ens_1ALALEUK198 - 200
d_1122ens_1GLUCYSK202 - 207
d_121ens_1PROASNL1 - 5
d_122ens_1METPROL7 - 14
d_123ens_1THRLEUL16 - 17
d_124ens_1ALAVALL19 - 21
d_125ens_1VALGLUL23 - 25
d_126ens_1LYSMETL27 - 63
d_127ens_1METASNL65 - 71
d_128ens_1GLUASPL73 - 78
d_129ens_1LEUHISL80 - 81
d_1210ens_1GLUPROL85 - 86
d_1211ens_1GLYLEUL88 - 98
d_1212ens_1GLUHISL100 - 107
d_1213ens_1PROLYSL109 - 118
d_1214ens_1TRPVALL120 - 129
d_1215ens_1METPHEL131 - 148
d_1216ens_1ASPGLUL150 - 162
d_1217ens_1THRTHRL173
d_1218ens_1LEUPROL176 - 183
d_1219ens_1CYSLYSL185 - 186
d_1220ens_1LEUGLYL189 - 193
d_1221ens_1ALALEUL196 - 198
d_1222ens_1GLUCYSL200 - 205
d_11ens_2PROGLYM1 - 6
d_12ens_2PROPROM8 - 12
d_21ens_2PROGLYN1 - 6
d_22ens_2PROPRON8 - 12
d_31ens_2PROGLYO1 - 6
d_32ens_2PROPROO8 - 12
d_41ens_2PROGLYP1 - 6
d_42ens_2PROPROP8 - 12
d_51ens_2PROGLYQ1 - 6
d_52ens_2PROPROQ8 - 12
d_61ens_2PROGLYR1 - 6
d_62ens_2PROPROR8 - 12
d_71ens_2PROGLYS1 - 6
d_72ens_2PROPROS8 - 12
d_81ens_2PROGLYU1 - 6
d_82ens_2PROPROU8 - 12
d_91ens_2PROGLYV1 - 6
d_92ens_2PROPROV8 - 12
d_101ens_2PROGLYW1 - 6
d_102ens_2PROPROW8 - 12
d_111ens_2PROGLYX1 - 6
d_112ens_2PROPROX8 - 12
d_121ens_2PROGLYY1 - 6
d_122ens_2PROPROY8 - 12
d_11ens_3IHPIHPB - E
d_21ens_3IHPIHPE

NCSアンサンブル:
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixベクター
1given(0.777536259374, -0.336482732405, 0.531240751593), (-0.136749680059, 0.734104196473, 0.665124464837), (-0.613788962399, -0.589805391222, 0.524778724914)1.03969658047, -3.97155729198, 30.933952928
2given(0.333534771475, -0.828225159181, 0.450330591806), (-0.617709565636, 0.168860722094, 0.768063115281), (-0.712172344828, -0.534349269891, -0.455281680972)20.5195727971, 14.8023864175, 48.6044198921
3given(0.0617764504217, -0.983475352587, -0.170176088296), (-0.982966058707, -0.0895187351279, 0.160512066499), (-0.173093609367, 0.157361453081, -0.97225304087)38.3141659292, 35.0946422387, 33.2295845878
4given(0.272007310975, -0.619352632435, -0.736487840681), (-0.859379826671, 0.188023243097, -0.475514009853), (0.432987686069, 0.762266080021, -0.481115461155)35.5101663273, 37.6154048494, 1.39990715947
5given(0.744468815613, -0.104604403231, -0.65941193605), (-0.415856729461, 0.700022539712, -0.580544248492), (0.522330702852, 0.706417980179, 0.477644506027)15.3877163068, 21.5437864036, -16.4831030584
6given(-0.139838975291, 0.77028470695, 0.622178857909), (0.796777065506, -0.285518200719, 0.53256517436), (0.5878701973, 0.570211212882, -0.573818615793)-107.158601756, 99.0257936233, 24.2093309453
7given(-0.605903853394, 0.229899634903, 0.761594825556), (0.311892088636, -0.812044612985, 0.493261463697), (0.731849605786, 0.536404422422, 0.420317082829)-90.0715263602, 118.905941103, 5.95974408896
8given(-0.979075272984, -0.0323203244867, 0.200915421149), (0.000546316397984, -0.987720899199, -0.156227804259), (0.203497693768, -0.152849016713, 0.967070766139)-70.8531158929, 137.566417678, 21.0314800952
9given(-0.887937728125, 0.156644114668, -0.432468741427), (0.249134963712, -0.626572838771, -0.738470207639), (-0.38665017888, -0.763458642661, 0.51733213714)-64.0528227767, 136.359489156, 52.6447060592
10given(-0.419893390795, 0.682751559146, -0.59794635951), (0.743335990823, -0.119287956908, -0.658196010383), (-0.520712151879, -0.720847204212, -0.457425581996)-80.1202066296, 117.044675899, 70.3155326512
11given(-0.0299377510088, 0.999545511599, -0.00353571880673), (0.999085609664, 0.0298155830554, -0.0306427082519), (-0.0305233619786, -0.00444985954951, -0.999524148344)-102.114326362, 99.623232622, 53.3868698467
12given(0.759446212098, -0.363579745344, 0.539491630802), (-0.137110838295, 0.72118375644, 0.679039474161), (-0.635957599964, -0.589664106269, 0.497849548384)2.52143245665, -3.35946677765, 30.4222418758
13given(0.336026347144, -0.840859038377, 0.424314001188), (-0.570294867774, 0.176887332942, 0.802168707465), (-0.749566579975, -0.511533917765, -0.420098789763)21.1186127702, 15.0209932616, 46.6543665186
14given(0.0443618470253, -0.981174574276, -0.187958722392), (-0.987411413515, -0.0716565636291, 0.141010770334), (-0.151824658701, 0.179337089537, -0.972001790804)37.8181861987, 33.7953641755, 32.0183806079
15given(0.265010682583, -0.627652385879, -0.731998511349), (-0.861710879556, 0.186496473294, -0.471882851462), (0.432693538399, 0.755825077613, -0.491431331804)36.0042052148, 37.8466199613, 1.74091432685
16given(0.728378398049, -0.0973728859825, -0.678220782881), (-0.413583071659, 0.726700663593, -0.548502678544), (0.546272781761, 0.68001813697, 0.489041287928)14.7593054533, 19.9655153522, -14.6652789936
17given(-0.161928938385, 0.740104893642, 0.652704960393), (0.785078107521, -0.304110204903, 0.539601101152), (0.597855654823, 0.599801408536, -0.531795906635)-105.927253124, 100.049684885, 22.7117922046
18given(-0.555870912124, 0.226240114176, 0.799889329715), (0.295983637595, -0.845319697248, 0.444778929044), (0.776789041716, 0.483993822463, 0.402925259182)-88.9961320015, 120.838424065, 9.63216815953
19given(-0.975123244863, -0.0296267586948, 0.219674560422), (-0.00358893827144, -0.988787618907, -0.149285512421), (0.221634331388, -0.146360171721, 0.964083462821)-71.0850204428, 137.651618592, 20.6335197459
20given(-0.906313367974, 0.19562070567, -0.374604616289), (0.195055128495, -0.592717469394, -0.781434257198), (-0.374899421018, -0.781292865057, 0.499030944062)-66.4401277389, 133.716177784, 53.564728111
21given(-0.413205078757, 0.709047148233, -0.571413776935), (0.74780624367, -0.0938759053977, -0.65724663279), (-0.519660836332, -0.698884436776, -0.491439883622)-81.5734250566, 115.630559657, 68.7874833369
22given(-0.0386054932608, 0.999102662719, -0.0174208277315), (0.998799052719, 0.0380557072068, -0.030857988207), (-0.0301673362643, -0.0185911940916, -0.999371952441)-102.353982317, 99.0901839311, 54.2252151926
23given(-0.341306200942, 0.850617729175, -0.399949441819), (0.675111690335, -0.0742191341064, -0.733972564682), (-0.654013977505, -0.520519931362, -0.548930522273)-51.5812344462, 78.9641053754, 50.6908323899

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要素

#1: タンパク質
Capsid protein p24 / CA


分子量: 25461.271 Da / 分子数: 12 / 変異: A14C, E45C, W184A, M185A / 由来タイプ: 組換発現
由来: (組換発現) Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (ヒト免疫不全ウイルス)
: isolate BH10 / 遺伝子: gag-pol / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 参照: UniProt: P03366
#2: タンパク質・ペプチド
Cleavage and polyadenylation specificity factor subunit 6


分子量: 1550.796 Da / 分子数: 12 / 由来タイプ: 組換発現
由来: (組換発現) Human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
発現宿主: Escherichia coli BL21(DE3) (大腸菌)
#3: 化合物
ChemComp-IHP / INOSITOL HEXAKISPHOSPHATE / MYO-INOSITOL HEXAKISPHOSPHATE / INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE / フィチン酸


分子量: 660.035 Da / 分子数: 4 / 由来タイプ: 合成 / : C6H18O24P6 / タイプ: SUBJECT OF INVESTIGATION
#4: 化合物 ChemComp-CL / CHLORIDE ION / クロリド


分子量: 35.453 Da / 分子数: 2 / 由来タイプ: 合成 / : Cl
#5: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 171 / 由来タイプ: 天然 / : H2O
研究の焦点であるリガンドがあるかY
Has protein modificationY

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 2.98 Å3/Da / 溶媒含有率: 58.77 %
結晶化温度: 291.15 K / 手法: 蒸気拡散法, ハンギングドロップ法 / 詳細: 0.1M Tris pH 8.2, 8% peg 8000, 5% Glycerol

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データ収集

回折平均測定温度: 100 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: ALS / ビームライン: 4.2.2 / 波長: 0.9762 Å
検出器タイプ: RDI CMOS_8M / 検出器: CMOS / 日付: 2020年8月8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: 0.9762 Å / 相対比: 1
反射解像度: 2.81→45.22 Å / Num. obs: 94907 / % possible obs: 99.9 % / 冗長度: 6.4 % / Biso Wilson estimate: 69.97 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.083 / Net I/σ(I): 16.5
反射 シェル解像度: 2.81→2.86 Å / 冗長度: 6.1 % / Rmerge(I) obs: 1.191 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 4661 / CC1/2: 0.576 / % possible all: 100

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解析

ソフトウェア
名称バージョン分類
PHENIX1.19.1_4122精密化
XDSデータ削減
XDSデータスケーリング
PHASER位相決定
精密化構造決定の手法: 分子置換
開始モデル: 4U0B
解像度: 2.81→44.24 Å / SU ML: 0.4423 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 30.2032
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2817 4738 5.03 %
Rwork0.2289 89497 -
obs0.2315 94235 99.23 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso mean: 85.16 Å2
精密化ステップサイクル: LAST / 解像度: 2.81→44.24 Å
タンパク質核酸リガンド溶媒全体
原子数20147 0 146 171 20464
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.009220876
X-RAY DIFFRACTIONf_angle_d1.076428470
X-RAY DIFFRACTIONf_chiral_restr0.05963193
X-RAY DIFFRACTIONf_plane_restr0.00893705
X-RAY DIFFRACTIONf_dihedral_angle_d14.21137732
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.902571142055
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.69367660709
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.586950196509
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS0.531529013458
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS0.840413311825
ens_1d_7AX-RAY DIFFRACTIONTorsion NCS0.94598926552
ens_1d_8AX-RAY DIFFRACTIONTorsion NCS0.665356041871
ens_1d_9AX-RAY DIFFRACTIONTorsion NCS0.545997103912
ens_1d_10AX-RAY DIFFRACTIONTorsion NCS0.741470443579
ens_1d_11AX-RAY DIFFRACTIONTorsion NCS0.711655942624
ens_1d_12AX-RAY DIFFRACTIONTorsion NCS0.461377829265
ens_2d_2MX-RAY DIFFRACTIONTorsion NCS0.831447831061
ens_2d_3MX-RAY DIFFRACTIONTorsion NCS0.612270753526
ens_2d_4MX-RAY DIFFRACTIONTorsion NCS0.794948796473
ens_2d_5MX-RAY DIFFRACTIONTorsion NCS0.821834552853
ens_2d_6MX-RAY DIFFRACTIONTorsion NCS0.844324192589
ens_2d_7MX-RAY DIFFRACTIONTorsion NCS0.618578227895
ens_2d_8MX-RAY DIFFRACTIONTorsion NCS0.670145403786
ens_2d_9MX-RAY DIFFRACTIONTorsion NCS0.392012593087
ens_2d_10MX-RAY DIFFRACTIONTorsion NCS0.425949630559
ens_2d_11MX-RAY DIFFRACTIONTorsion NCS0.808742358231
ens_2d_12MX-RAY DIFFRACTIONTorsion NCS0.273903711378
ens_3d_2AX-RAY DIFFRACTIONTorsion NCS0.247865867027
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.81-2.840.3971570.34792954X-RAY DIFFRACTION99.94
2.84-2.880.37871590.3372988X-RAY DIFFRACTION99.78
2.88-2.910.37751490.30692954X-RAY DIFFRACTION99.81
2.91-2.950.33711550.2872985X-RAY DIFFRACTION99.84
2.95-2.990.34981350.2752965X-RAY DIFFRACTION99.84
2.99-3.030.30121570.27412987X-RAY DIFFRACTION99.87
3.03-3.070.32371450.27662982X-RAY DIFFRACTION99.97
3.07-3.120.34811400.27712998X-RAY DIFFRACTION99.94
3.12-3.160.361580.27992982X-RAY DIFFRACTION99.97
3.16-3.220.33621750.28122945X-RAY DIFFRACTION100
3.22-3.270.37611530.28512987X-RAY DIFFRACTION99.97
3.27-3.330.30721720.26962970X-RAY DIFFRACTION99.9
3.33-3.40.28891780.2462965X-RAY DIFFRACTION99.94
3.4-3.460.32351380.2542985X-RAY DIFFRACTION99.9
3.46-3.540.32361630.27512983X-RAY DIFFRACTION99.84
3.54-3.620.43131320.33592849X-RAY DIFFRACTION94.76
3.62-3.710.49321800.43322802X-RAY DIFFRACTION94.37
3.71-3.810.34321470.26532881X-RAY DIFFRACTION95.79
3.81-3.930.31181420.21692962X-RAY DIFFRACTION98.73
3.93-4.050.28141510.20992961X-RAY DIFFRACTION98.48
4.05-4.20.24031580.18583003X-RAY DIFFRACTION99.97
4.2-4.360.23971900.17822977X-RAY DIFFRACTION99.94
4.36-4.560.23561400.16533031X-RAY DIFFRACTION99.97
4.56-4.80.18361810.15752988X-RAY DIFFRACTION99.97
4.8-5.10.20651930.16192993X-RAY DIFFRACTION99.87
5.1-5.50.23741520.19333037X-RAY DIFFRACTION99.81
5.5-6.050.26691550.21083049X-RAY DIFFRACTION99.78
6.05-6.920.27221340.21213077X-RAY DIFFRACTION99.63
6.92-8.710.20411810.1793091X-RAY DIFFRACTION99.79
8.71-44.240.24421680.20433166X-RAY DIFFRACTION97.8
精密化 TLS

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
17.53831991429-2.529773169433.686242604477.01905817336-2.863999175597.53508347372-0.0610370649222-1.076318454810.3753860956541.113688343021.004182671950.4074384856960.162565622466-0.993573435238-0.9633415371480.572359757460.0058461526567-0.04938079609370.7593836614630.04060862379390.692746022946-24.218470555763.909095393712.7277527423
29.9093021987-1.488997379911.69311168634.362827181824.113276016138.893638143470.266027885054-0.354591457891-0.6736340328920.2136522215280.1062202003650.178163209456-0.06276356302620.299808226606-0.3561839097780.427321449393-0.05101412923660.08732910762710.3458967734870.02463939382790.423416492873-12.821054530649.24679236534.4713184972
37.50621922089-2.66661609515-0.7263316220148.258237200430.283578460426.243377016860.1376080697160.4787356960171.46956804213-0.234109069556-0.08510925586580.579008527367-0.986981816744-0.58687142553-0.02050361273460.496875632911-0.0431880156295-0.02642495453610.4208016472670.02590942324940.773253891006-15.859273481864.7847366978-4.77292491341
41.195818508773.532884783080.02579262604812.288004538760.3500021109743.62262406262-0.4966612084420.215907376981-0.257574744694-1.449385013040.424229433323-0.6678606368830.2051619131610.3227670562950.07933115196470.504402977029-0.05489486382960.09443419886820.532058712644-0.06419578793560.530721329569-14.602222990538.632724602-9.03411272305
56.726194860281.05559337859-2.16210758662.02704613586-0.6668909224477.70156335276-0.6927041463291.36601244413-0.62268343192-1.065087453240.09168894612221.814666952650.979618456529-0.9648150908770.4487905857720.841459849433-0.223197590963-0.02865127540960.738983488189-0.1447633941160.93278285646-21.767912069925.1532598938-15.8360427394
62.01759868795-3.48186082355-7.176327770582.012579797143.481165932287.2076365164-0.2541811656620.733348801266-1.300125019650.467995911785-0.6176664036571.637231297442.02082184286-1.273886837450.5755611087811.01834912807-0.1922824311650.06336541803640.750019648293-0.2817419754021.07167045054-27.451543382620.118959331-7.69441330939
70.374032440031-0.807117591971.387705894595.697616032841.341719259722.114330583460.844740370362-2.179623534551.397085784911.35654146849-0.0176100472633-0.303185482061-0.625538537995-0.703725248092-0.5754199437430.921613534114-0.06178138419470.1652070300330.946667180372-0.405214175240.892860670154-32.496879757854.52548133414.6023560314
82.063320217781.02289696690.5733692400738.951936652723.41161839846.08991004437-0.090325011405-0.7205619597120.167067886954-0.2289801449770.70486046903-1.636174594030.1342704552370.647018467223-0.6151605140950.435299831367-0.007330344718410.03254502854770.480384120409-0.1413151523920.628390975993-17.707898661538.63485370711.4796133991
92.391642838372.682131653342.184387803772.01501505705-5.795388320549.26595633122-0.80524921579-0.0969953039333-0.273663253544-0.4245278444560.658729363632-0.02411927570320.656167729341-0.4275927900710.0990552295980.515665154312-0.06648960275980.189764096090.485858806332-0.04214469327620.579512081452-27.037873539535.800097172312.1825210196
108.920624687655.06501514786-1.35802934952.88643318429-1.172792811245.220895056220.00866297064058-0.1761121176020.047467654217-0.348557842516-0.2184653731150.00811578016163-0.2110783962210.3744544833680.159014327460.4036248853330.0441451894366-0.01750782771420.3264619836-0.003389298119390.416161951112-24.363114224841.49911992822.91950014893
113.72429650497-1.296815512471.184713399756.52046743752-0.1690233987076.949978515250.2321207216890.182441888228-0.608659391895-1.16478669731-0.7085034150771.970385974420.308854181251-1.176079581980.4407540366290.800002340329-0.107026684823-0.1259723364490.783841129641-0.3716131294630.896131237002-34.335675962433.3447476236-3.41794531562
122.0139272305-2.483191099323.983883101946.95913552719-0.8687581010035.405991047450.1744885234381.80700023757-0.0520692058569-0.588884884325-0.7314087515341.59517038332-0.28058258683-1.707460555620.6736832724640.6930113016290.0385023663319-0.22222128721.23896509656-0.1936460747910.996951302957-42.148981691245.9077984642-2.82077593903
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1079.157278513473.44647594037-1.307979675432.00526354011.429088107371.99477443003-0.363407331557-2.56043730604-0.4472060899831.66546563248-0.4796780102480.5578430017681.047364147382.204373383630.9781205477180.8799547201850.162521539885-0.0272723059291.20913623516-0.06532777104090.746945446264-2.0736297973757.483897109252.960939784
1087.905764685320.775473766429-3.987563618296.93949518289-0.2334091108065.08888942169-0.358994547179-1.346509891081.288286418130.9527002809540.318928699057-0.277127750499-0.5171425148232.09891406684-0.08595832279510.933338247125-0.0471231368294-0.2105991024320.802588046204-0.1616979341840.8081918146469.2372783086574.188026343124.8930337532
1090.01631225659620.320582320911-0.3291995289279.99384532282-6.778875753098.16179333341-0.394757088987-1.876756023130.1964523828861.691092941870.149293979997-0.181221580372-0.9000651039140.3629475098120.1868754303471.150491449570.272982917453-0.03323173296061.32611148088-0.09834690896920.861496360924-60.462141097172.352277171762.9955746631
1108.03464267285-7.145809403713.962401463096.72818498505-2.364180648585.43993186383-0.56777328418-1.21688860583-1.460511779220.3679062410590.88633945030.7071313726461.36737382104-1.62104781615-0.1548047286841.24248116834-0.2860605296660.003081845238050.925140504604-0.0417633962840.787412442389-76.505746983459.835298401635.7579837136
1111.2056372356-1.031821636460.189772679121.462039623711.904826461689.258206016570.5132776441.70460232665-2.07488475203-1.100201746350.2033006868251.647251109191.944268895590.533361960438-0.4887487150161.033345112150.0154128074629-0.2743743235680.844138876554-0.3161179914510.960169818443-69.5452465173.14277108873.38664381832
1129.25801797127-5.120330962950.649068141648.049924540661.786324556339.68829677961.134956173521.40648317424-1.46937060127-1.99666222103-0.02788731298820.270919366253-2.629720650651.0943799674-0.9060620815071.08528639269-0.1205701955580.1362457733390.779128139185-0.186053328970.800151824201-46.743855594399.0123125860.64325723785
1130.1981644041450.833345832781-0.1082526572533.48618889162-0.4050467330610.03884220158630.620666137150.4878360409311.34522853328-0.516587696294-0.47344351234-1.14658952734-2.427316102893.22061658724-0.1876659779761.24002782107-0.5299973400650.3499970911211.26316819434-0.1281486214291.06552772267-28.3242242228110.11168685727.5322231005
1145.6956290116-1.406693915073.965837547046.41407562038-3.772230278565.39346505604-0.577099032109-0.9546370646172.321258914710.754829562027-0.10318322894-1.97912860964-0.8026752529331.130452246420.6909390839670.674720919612-0.137420677710.004397104767180.944545469317-0.2189200261930.991021366087-35.86439584496.729577663259.7879887536
精密化 TLSグループ

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 16 )AA1 - 161 - 16
22chain 'A' and (resid 17 through 48 )AA17 - 4817 - 48
33chain 'A' and (resid 49 through 125 )AA49 - 12549 - 114
44chain 'A' and (resid 126 through 175 )AA126 - 175115 - 164
55chain 'A' and (resid 176 through 205 )AA176 - 205165 - 194
66chain 'A' and (resid 206 through 220 )AA206 - 220195 - 209
77chain 'B' and (resid 1 through 16 )BB1 - 161 - 16
88chain 'B' and (resid 17 through 30 )BB17 - 3017 - 30
99chain 'B' and (resid 31 through 48 )BB31 - 4831 - 48
1010chain 'B' and (resid 49 through 62 )BB49 - 6249 - 62
1111chain 'B' and (resid 63 through 82 )BB63 - 8263 - 82
1212chain 'B' and (resid 83 through 110 )BB83 - 11083 - 101
1313chain 'B' and (resid 111 through 125 )BB111 - 125102 - 116
1414chain 'B' and (resid 126 through 144 )BB126 - 144117 - 135
1515chain 'B' and (resid 145 through 160 )BB145 - 160136 - 151
1616chain 'B' and (resid 161 through 175 )BB161 - 175152 - 166
1717chain 'B' and (resid 176 through 192 )BB176 - 192167 - 176
1818chain 'B' and (resid 193 through 205 )BB193 - 205177 - 189
1919chain 'B' and (resid 206 through 219 )BB206 - 219190 - 201
2020chain 'C' and (resid 1 through 16 )CC1 - 161 - 16
2121chain 'C' and (resid 17 through 29 )CC17 - 2917 - 29
2222chain 'C' and (resid 30 through 43 )CC30 - 4330 - 43
2323chain 'C' and (resid 44 through 83 )CC44 - 8344 - 83
2424chain 'C' and (resid 84 through 104 )CC84 - 10484 - 92
2525chain 'C' and (resid 105 through 125 )CC105 - 12593 - 113
2626chain 'C' and (resid 126 through 145 )CC126 - 145114 - 133
2727chain 'C' and (resid 146 through 174 )CC146 - 174134 - 162
2828chain 'C' and (resid 175 through 189 )CC175 - 189163 - 177
2929chain 'C' and (resid 190 through 205 )CC190 - 205178 - 193
3030chain 'C' and (resid 206 through 219 )CC206 - 219194 - 207
3131chain 'D' and (resid 1 through 16 )DD1 - 161 - 16
3232chain 'D' and (resid 17 through 30 )DD17 - 3017 - 30
3333chain 'D' and (resid 31 through 83 )DD31 - 8331 - 83
3434chain 'D' and (resid 84 through 110 )DD84 - 11084 - 107
3535chain 'D' and (resid 111 through 144 )DD111 - 144108 - 141
3636chain 'D' and (resid 145 through 160 )DD145 - 160142 - 157
3737chain 'D' and (resid 161 through 195 )DD161 - 195158 - 185
3838chain 'D' and (resid 196 through 205 )DD196 - 205186 - 195
3939chain 'D' and (resid 206 through 219 )DD206 - 219196 - 209
4040chain 'E' and (resid 1 through 48 )EE1 - 481 - 48
4141chain 'E' and (resid 49 through 82 )EE49 - 8249 - 82
4242chain 'E' and (resid 83 through 125 )EE83 - 12583 - 125
4343chain 'E' and (resid 126 through 145 )EE126 - 145126 - 145
4444chain 'E' and (resid 146 through 174 )EE146 - 174146 - 174
4545chain 'E' and (resid 175 through 219 )EE175 - 219175 - 213
4646chain 'F' and (resid 1 through 48 )FF1 - 481 - 48
4747chain 'F' and (resid 49 through 81 )FF49 - 8149 - 81
4848chain 'F' and (resid 82 through 110 )FF82 - 11082 - 103
4949chain 'F' and (resid 111 through 145 )FF111 - 145104 - 138
5050chain 'F' and (resid 146 through 160 )FF146 - 160139 - 153
5151chain 'F' and (resid 161 through 175 )FF161 - 175154 - 168
5252chain 'F' and (resid 176 through 192 )FF176 - 192169 - 184
5353chain 'F' and (resid 193 through 220 )FF193 - 220185 - 212
5454chain 'G' and (resid 1 through 16 )GG1 - 161 - 16
5555chain 'G' and (resid 17 through 48 )GG17 - 4817 - 48
5656chain 'G' and (resid 49 through 83 )GG49 - 8349 - 83
5757chain 'G' and (resid 84 through 125 )GG84 - 12584 - 115
5858chain 'G' and (resid 126 through 144 )GG126 - 144116 - 134
5959chain 'G' and (resid 145 through 160 )GG145 - 160135 - 150
6060chain 'G' and (resid 161 through 174 )GG161 - 174151 - 164
6161chain 'G' and (resid 175 through 192 )GG175 - 192165 - 174
6262chain 'G' and (resid 193 through 205 )GG193 - 205175 - 187
6363chain 'G' and (resid 206 through 219 )GG206 - 219188 - 201
6464chain 'H' and (resid 1 through 30 )HH1 - 301 - 30
6565chain 'H' and (resid 31 through 125 )HH31 - 12531 - 115
6666chain 'H' and (resid 126 through 174 )HH126 - 174116 - 164
6767chain 'H' and (resid 175 through 205 )HH175 - 205165 - 195
6868chain 'H' and (resid 206 through 219 )HH206 - 219196 - 209
6969chain 'I' and (resid 1 through 16 )II1 - 161 - 16
7070chain 'I' and (resid 17 through 43 )II17 - 4317 - 43
7171chain 'I' and (resid 44 through 83 )II44 - 8344 - 83
7272chain 'I' and (resid 84 through 110 )II84 - 11084 - 107
7373chain 'I' and (resid 111 through 125 )II111 - 125108 - 122
7474chain 'I' and (resid 126 through 145 )II126 - 145123 - 142
7575chain 'I' and (resid 146 through 160 )II146 - 160143 - 157
7676chain 'I' and (resid 161 through 175 )II161 - 175158 - 172
7777chain 'I' and (resid 176 through 195 )II176 - 195173 - 184
7878chain 'I' and (resid 196 through 205 )II196 - 205185 - 194
7979chain 'I' and (resid 206 through 220 )II206 - 220195 - 209
8080chain 'J' and (resid 1 through 48 )JJ1 - 481 - 48
8181chain 'J' and (resid 49 through 83 )JJ49 - 8349 - 83
8282chain 'J' and (resid 84 through 104 )JJ84 - 10484 - 100
8383chain 'J' and (resid 105 through 125 )JJ105 - 125101 - 121
8484chain 'J' and (resid 126 through 144 )JJ126 - 144122 - 140
8585chain 'J' and (resid 145 through 160 )JJ145 - 160141 - 156
8686chain 'J' and (resid 161 through 175 )JJ161 - 175157 - 171
8787chain 'J' and (resid 176 through 219 )JJ176 - 219172 - 208
8888chain 'K' and (resid 1 through 48 )KK1 - 481 - 48
8989chain 'K' and (resid 49 through 83 )KK49 - 8349 - 83
9090chain 'K' and (resid 84 through 110 )KK84 - 11084 - 107
9191chain 'K' and (resid 111 through 145 )KK111 - 145108 - 142
9292chain 'K' and (resid 146 through 175 )KK146 - 175143 - 172
9393chain 'K' and (resid 176 through 205 )KK176 - 205173 - 194
9494chain 'K' and (resid 206 through 220 )KK206 - 220195 - 209
9595chain 'L' and (resid 1 through 16 )LL1 - 161 - 13
9696chain 'L' and (resid 17 through 48 )LL17 - 4814 - 45
9797chain 'L' and (resid 49 through 144 )LL49 - 14446 - 131
9898chain 'L' and (resid 145 through 160 )LL145 - 160132 - 147
9999chain 'L' and (resid 161 through 175 )LL161 - 175148 - 162
100100chain 'L' and (resid 176 through 192 )LL176 - 192163 - 179
101101chain 'L' and (resid 193 through 205 )LL193 - 205180 - 192
102102chain 'L' and (resid 206 through 219 )LL206 - 219193 - 206
103103chain 'M' and (resid 313 through 326 )MM313 - 3261 - 14
104104chain 'N' and (resid 313 through 325 )NN313 - 3251 - 13
105105chain 'O' and (resid 313 through 326 )OO313 - 3261 - 14
106106chain 'P' and (resid 313 through 325 )PP313 - 3251 - 13
107107chain 'Q' and (resid 313 through 325 )QQ313 - 3251 - 13
108108chain 'R' and (resid 313 through 326 )RR313 - 3261 - 14
109109chain 'S' and (resid 313 through 325 )SS313 - 3251 - 13
110110chain 'T' and (resid 313 through 326 )TU313 - 3261 - 14
111111chain 'U' and (resid 313 through 325 )UV313 - 3251 - 13
112112chain 'V' and (resid 313 through 324 )VW313 - 3241 - 12
113113chain 'W' and (resid 313 through 326 )WX313 - 3261 - 14
114114chain 'X' and (resid 313 through 325 )XY313 - 3251 - 13

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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