PDB-9dty: Crystal structure of PRT3789 in complex with the bromodomain of h...

基本情報

• 登録情報: データベース: PDB / ID: 9dty
• タイトル: Crystal structure of PRT3789 in complex with the bromodomain of human BRM (SMARCA2) and pVHL:ElonginC:ElonginB

要素

• Elongin-B
• Elongin-C
• Isoform Short of Probable global transcription activator SNF2L2
• von Hippel-Lindau disease tumor suppressor

• キーワード: TRANSCRIPTION / SMARCA2 / VHL / PROTAC / ternary complex

機能・相同性

分子機能:

bBAF complex / npBAF complex / nBAF complex / brahma complex / regulation of cellular response to hypoxia / GBAF complex / nucleosome array spacer activity / regulation of G0 to G1 transition / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / transcription elongation factor activity / intermediate filament cytoskeleton / target-directed miRNA degradation / elongin complex / regulation of nucleotide-excision repair / Replication of the SARS-CoV-1 genome / VCB complex / SWI/SNF complex / regulation of mitotic metaphase/anaphase transition / Cul5-RING ubiquitin ligase complex / positive regulation of T cell differentiation / Cul2-RING ubiquitin ligase complex / intracellular membraneless organelle / positive regulation of double-strand break repair / SUMOylation of ubiquitinylation proteins / positive regulation of stem cell population maintenance / RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known / Regulation of MITF-M-dependent genes involved in pigmentation / regulation of G1/S transition of mitotic cell cycle / Pausing and recovery of Tat-mediated HIV elongation / Tat-mediated HIV elongation arrest and recovery / negative regulation of transcription elongation by RNA polymerase II / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / negative regulation of cell differentiation / spermatid development / ATP-dependent activity, acting on DNA / positive regulation of myoblast differentiation / Tat-mediated elongation of the HIV-1 transcript / negative regulation of signal transduction / Formation of HIV-1 elongation complex containing HIV-1 Tat / ubiquitin-like ligase-substrate adaptor activity / Formation of HIV elongation complex in the absence of HIV Tat / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / negative regulation of TORC1 signaling / RNA Polymerase II Pre-transcription Events / negative regulation of autophagy / protein serine/threonine kinase binding / transcription corepressor binding / Vif-mediated degradation of APOBEC3G / Regulation of endogenous retroelements by Piwi-interacting RNAs (piRNAs) / positive regulation of cell differentiation / Inactivation of CSF3 (G-CSF) signaling / TP53 Regulates Transcription of DNA Repair Genes / transcription initiation at RNA polymerase II promoter / transcription elongation by RNA polymerase II / Evasion by RSV of host interferon responses / Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha / helicase activity / negative regulation of cell growth / Regulation of expression of SLITs and ROBOs / 加水分解酵素; 酸無水物に作用; 酸無水物に作用・細胞または細胞小器官の運動に関与 / RMTs methylate histone arginines / cell morphogenesis / ubiquitin-protein transferase activity / Antigen processing: Ubiquitination & Proteasome degradation / transcription corepressor activity / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / nervous system development / Neddylation / regulation of gene expression / microtubule cytoskeleton / protein-containing complex assembly / Replication of the SARS-CoV-2 genome / ubiquitin-dependent protein catabolic process / histone binding / protein-macromolecule adaptor activity / cellular response to hypoxia / molecular adaptor activity / DNA-binding transcription factor binding / amyloid fibril formation / proteasome-mediated ubiquitin-dependent protein catabolic process / transcription coactivator activity / hydrolase activity / transcription cis-regulatory region binding / protein ubiquitination / protein stabilization / cilium / chromatin remodeling / negative regulation of cell population proliferation / negative regulation of gene expression / negative regulation of DNA-templated transcription / intracellular membrane-bounded organelle / positive regulation of cell population proliferation / ubiquitin protein ligase binding / chromatin binding / regulation of transcription by RNA polymerase II / negative regulation of apoptotic process / regulation of DNA-templated transcription

ドメイン・相同性:

BRK domain / BRK domain / BRK domain superfamily / domain in transcription and CHROMO domain helicases / Glutamine-Leucine-Glutamine, QLQ / QLQ / QLQ domain profile. / QLQ / Snf2-ATP coupling, chromatin remodelling complex / Snf2, ATP coupling domain / Snf2-ATP coupling, chromatin remodelling complex / domain in helicases and associated with SANT domains / von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / HSA domain / Helicase/SANT-associated domain / HSA domain profile. / Elongin-C / Elongin B / S-phase kinase-associated protein 1-like / SKP1 component, POZ domain / Skp1 family, tetramerisation domain / Found in Skp1 protein family / : / SNF2-like, N-terminal domain superfamily / SNF2, N-terminal / SNF2-related domain / SKP1/BTB/POZ domain superfamily / Helicase conserved C-terminal domain / Bromodomain, conserved site / Bromodomain signature. / Bromodomain / bromo domain / Bromodomain / Bromodomain (BrD) profile. / Bromodomain-like superfamily / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / helicase superfamily c-terminal domain / Superfamilies 1 and 2 helicase C-terminal domain profile. / Superfamilies 1 and 2 helicase ATP-binding type-1 domain profile. / DEAD-like helicases superfamily / Helicase, C-terminal / Helicase superfamily 1/2, ATP-binding domain / Ubiquitin-like domain superfamily / P-loop containing nucleoside triphosphate hydrolase

構成要素:

: / ACETATE ION / CITRIC ACID / von Hippel-Lindau disease tumor suppressor / SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 2 / Elongin-C / Elongin-B

• 生物種: Homo sapiens (ヒト)
• 手法: X線回折 / シンクロトロン / 分子置換 / 解像度: 3.19 Å
• データ登録者: Dou, Y. / Wang, M. / Xu, C.

資金援助

1件

組織	認可番号	国
Not funded

• 引用: ジャーナル: Cancer Res. / 年: 2025; タイトル: PRT3789 is a First-in-Human SMARCA2-Selective Degrader that Induces Synthetic Lethality in SMARCA4-Mutated Cancers; 著者: Hulse, M. / Wang, M. / Xu, C. / Ito, K.

履歴

登録	2024年10月2日	登録サイト: RCSB / 処理サイト: RCSB
改定 1.0	2025年10月1日	Provider: repository / タイプ: Initial release

集合体

登録構造単位

A: Isoform Short of Probable global transcription activator SNF2L2

B: von Hippel-Lindau disease tumor suppressor

C: Elongin-C

D: Elongin-B

E: Isoform Short of Probable global transcription activator SNF2L2

F: von Hippel-Lindau disease tumor suppressor

G: Elongin-C

H: Elongin-B

I: Isoform Short of Probable global transcription activator SNF2L2

J: von Hippel-Lindau disease tumor suppressor

K: Elongin-C

L: Elongin-B

M: Isoform Short of Probable global transcription activator SNF2L2

N: von Hippel-Lindau disease tumor suppressor

O: Elongin-C

P: Elongin-B

Q: Isoform Short of Probable global transcription activator SNF2L2

R: von Hippel-Lindau disease tumor suppressor

S: Elongin-C

T: Elongin-B

U: Isoform Short of Probable global transcription activator SNF2L2

V: von Hippel-Lindau disease tumor suppressor

W: Elongin-C

X: Elongin-B

Y: Isoform Short of Probable global transcription activator SNF2L2

Z: von Hippel-Lindau disease tumor suppressor

a: Elongin-C

b: Elongin-B

c: Isoform Short of Probable global transcription activator SNF2L2

d: von Hippel-Lindau disease tumor suppressor

e: Elongin-C

f: Elongin-B

g: Isoform Short of Probable global transcription activator SNF2L2

h: von Hippel-Lindau disease tumor suppressor

i: Elongin-C

j: Elongin-B

k: Isoform Short of Probable global transcription activator SNF2L2

l: von Hippel-Lindau disease tumor suppressor

m: Elongin-C

n: Elongin-B

ヘテロ分子

概要:

• 562 kDa, 40 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	561,912	56
ポリマ－	551,982	40
非ポリマー	9,931	16
水	1,369	76

1

概要:

• 登録構造と同一
• 登録者が定義した集合体
• 根拠: gel filtration

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

単位格子

Length a, b, c (Å)	183.960, 203.630, 206.950
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P21212

非結晶学的対称性 (NCS)

NCSドメイン:

ID	Ens-ID	詳細
1	1	A
2	1	E
1	2	A
2	2	I
1	3	A
2	3	M
1	4	A
2	4	U
1	5	A
2	5	Y
1	6	A
2	6	c
1	7	A
2	7	g
1	8	A
2	8	k
1	9	B
2	9	F
1	10	B
2	10	J
1	11	B
2	11	N
1	12	B
2	12	R
1	13	B
2	13	V
1	14	B
2	14	Z
1	15	B
2	15	d
1	16	B
2	16	h
1	17	B
2	17	l
1	18	C
2	18	G
1	19	C
2	19	K
1	20	C
2	20	O
1	21	C
2	21	S
1	22	C
2	22	W
1	23	C
2	23	a
1	24	C
2	24	e
1	25	C
2	25	i
1	26	C
2	26	m
1	27	D
2	27	H
1	28	D
2	28	L
1	29	D
2	29	P
1	30	D
2	30	T
1	31	D
2	31	X
1	32	D
2	32	b
1	33	D
2	33	f
1	34	D
2	34	j
1	35	D
2	35	n
1	36	E
2	36	I
1	37	E
2	37	M
1	38	E
2	38	Q
1	39	E
2	39	U
1	40	E
2	40	Y
1	41	E
2	41	c
1	42	E
2	42	g
1	43	E
2	43	k
1	44	F
2	44	J
1	45	F
2	45	N
1	46	F
2	46	R
1	47	F
2	47	V
1	48	F
2	48	Z
1	49	F
2	49	d
1	50	F
2	50	h
1	51	F
2	51	l
1	52	G
2	52	K
1	53	G
2	53	O
1	54	G
2	54	S
1	55	G
2	55	W
1	56	G
2	56	a
1	57	G
2	57	e
1	58	G
2	58	i
1	59	G
2	59	m
1	60	H
2	60	L
1	61	H
2	61	P
1	62	H
2	62	T
1	63	H
2	63	X
1	64	H
2	64	b
1	65	H
2	65	f
1	66	H
2	66	j
1	67	H
2	67	n
1	68	I
2	68	M
1	69	I
2	69	Q
1	70	I
2	70	U
1	71	I
2	71	Y
1	72	I
2	72	c
1	73	I
2	73	g
1	74	I
2	74	k
1	75	J
2	75	N
1	76	J
2	76	R
1	77	J
2	77	V
1	78	J
2	78	Z
1	79	J
2	79	d
1	80	J
2	80	h
1	81	J
2	81	l
1	82	K
2	82	O
1	83	K
2	83	S
1	84	K
2	84	W
1	85	K
2	85	a
1	86	K
2	86	e
1	87	K
2	87	i
1	88	K
2	88	m
1	89	L
2	89	P
1	90	L
2	90	T
1	91	L
2	91	X
1	92	L
2	92	b
1	93	L
2	93	f
1	94	L
2	94	j
1	95	L
2	95	n
1	96	M
2	96	U
1	97	M
2	97	Y
1	98	M
2	98	c
1	99	M
2	99	g
1	100	M
2	100	k
1	101	N
2	101	R
1	102	N
2	102	V
1	103	N
2	103	Z
1	104	N
2	104	d
1	105	N
2	105	h
1	106	N
2	106	l
1	107	O
2	107	S
1	108	O
2	108	W
1	109	O
2	109	a
1	110	O
2	110	e
1	111	O
2	111	i
1	112	O
2	112	m
1	113	P
2	113	T
1	114	P
2	114	X
1	115	P
2	115	b
1	116	P
2	116	f
1	117	P
2	117	j
1	118	P
2	118	n
1	119	R
2	119	V
1	120	R
2	120	Z
1	121	R
2	121	d
1	122	R
2	122	h
1	123	R
2	123	l
1	124	S
2	124	W
1	125	S
2	125	a
1	126	S
2	126	e
1	127	S
2	127	i
1	128	S
2	128	m
1	129	T
2	129	X
1	130	T
2	130	b
1	131	T
2	131	f
1	132	T
2	132	j
1	133	T
2	133	n
1	134	U
2	134	Y
1	135	U
2	135	c
1	136	U
2	136	g
1	137	U
2	137	k
1	138	V
2	138	Z
1	139	V
2	139	d
1	140	V
2	140	h
1	141	V
2	141	l
1	142	W
2	142	a
1	143	W
2	143	e
1	144	W
2	144	i
1	145	W
2	145	m
1	146	X
2	146	b
1	147	X
2	147	f
1	148	X
2	148	j
1	149	X
2	149	n
1	150	Y
2	150	c
1	151	Y
2	151	g
1	152	Y
2	152	k
1	153	Z
2	153	d
1	154	Z
2	154	h
1	155	Z
2	155	l
1	156	a
2	156	e
1	157	a
2	157	i
1	158	a
2	158	m
1	159	b
2	159	f
1	160	b
2	160	j
1	161	b
2	161	n
1	162	c
2	162	g
1	163	c
2	163	k
1	164	d
2	164	h
1	165	d
2	165	l
1	166	e
2	166	i
1	167	e
2	167	m
1	168	f
2	168	j
1	169	f
2	169	n
1	170	g
2	170	k
1	171	h
2	171	l
1	172	i
2	172	m
1	173	j
2	173	n

NCSドメイン領域:

Component-ID: _ / Refine code: _

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LEU	LEU	GLU	GLU	A	A	12 - 120	12 - 120
2	1	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
1	2	LEU	LEU	GLU	GLU	A	A	12 - 120	12 - 120
2	2	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
1	3	LEU	LEU	GLU	GLU	A	A	12 - 120	12 - 120
2	3	LEU	LEU	GLU	GLU	M	M	12 - 120	12 - 120
1	4	LEU	LEU	GLU	GLU	A	A	12 - 120	12 - 120
2	4	LEU	LEU	GLU	GLU	U	U	12 - 120	12 - 120
1	5	LEU	LEU	GLU	GLU	A	A	12 - 120	12 - 120
2	5	LEU	LEU	GLU	GLU	Y	Y	12 - 120	12 - 120
1	6	LEU	LEU	GLU	GLU	A	A	12 - 120	12 - 120
2	6	LEU	LEU	GLU	GLU	c	CA	12 - 120	12 - 120
1	7	LEU	LEU	GLU	GLU	A	A	12 - 120	12 - 120
2	7	LEU	LEU	GLU	GLU	g	GA	12 - 120	12 - 120
1	8	LEU	LEU	GLU	GLU	A	A	12 - 120	12 - 120
2	8	LEU	LEU	GLU	GLU	k	KA	12 - 120	12 - 120
1	9	VAL	VAL	HIS	HIS	B	B	10 - 156	10 - 156
2	9	VAL	VAL	HIS	HIS	F	F	10 - 156	10 - 156
1	10	VAL	VAL	HIS	HIS	B	B	10 - 156	10 - 156
2	10	VAL	VAL	HIS	HIS	J	J	10 - 156	10 - 156
1	11	VAL	VAL	HIS	HIS	B	B	10 - 156	10 - 156
2	11	VAL	VAL	HIS	HIS	N	N	10 - 156	10 - 156
1	12	VAL	VAL	GLN	GLN	B	B	10 - 157	10 - 157
2	12	VAL	VAL	GLN	GLN	R	R	10 - 157	10 - 157
1	13	VAL	VAL	HIS	HIS	B	B	10 - 156	10 - 156
2	13	VAL	VAL	HIS	HIS	V	V	10 - 156	10 - 156
1	14	VAL	VAL	HIS	HIS	B	B	10 - 156	10 - 156
2	14	VAL	VAL	HIS	HIS	Z	Z	10 - 156	10 - 156
1	15	VAL	VAL	GLN	GLN	B	B	10 - 157	10 - 157
2	15	VAL	VAL	GLN	GLN	d	DA	10 - 157	10 - 157
1	16	VAL	VAL	HIS	HIS	B	B	10 - 156	10 - 156
2	16	VAL	VAL	HIS	HIS	h	HA	10 - 156	10 - 156
1	17	VAL	VAL	ARG	ARG	B	B	10 - 153	10 - 153
2	17	VAL	VAL	ARG	ARG	l	LA	10 - 153	10 - 153
1	18	MET	MET	CYS	CYS	C	C	1 - 96	1 - 96
2	18	MET	MET	CYS	CYS	G	G	1 - 96	1 - 96
1	19	MET	MET	CYS	CYS	C	C	1 - 96	1 - 96
2	19	MET	MET	CYS	CYS	K	K	1 - 96	1 - 96
1	20	TYR	TYR	CYS	CYS	C	C	2 - 96	2 - 96
2	20	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
1	21	MET	MET	CYS	CYS	C	C	1 - 96	1 - 96
2	21	MET	MET	CYS	CYS	S	S	1 - 96	1 - 96
1	22	MET	MET	CYS	CYS	C	C	1 - 96	1 - 96
2	22	MET	MET	CYS	CYS	W	W	1 - 96	1 - 96
1	23	MET	MET	CYS	CYS	C	C	1 - 96	1 - 96
2	23	MET	MET	CYS	CYS	a	AA	1 - 96	1 - 96
1	24	MET	MET	CYS	CYS	C	C	1 - 96	1 - 96
2	24	MET	MET	CYS	CYS	e	EA	1 - 96	1 - 96
1	25	MET	MET	CYS	CYS	C	C	1 - 96	1 - 96
2	25	MET	MET	CYS	CYS	i	IA	1 - 96	1 - 96
1	26	MET	MET	CYS	CYS	C	C	1 - 96	1 - 96
2	26	MET	MET	CYS	CYS	m	MA	1 - 96	1 - 96
1	27	MET	MET	LYS	LYS	D	D	1 - 104	1 - 104
2	27	MET	MET	LYS	LYS	H	H	1 - 104	1 - 104
1	28	ASP	ASP	MET	MET	D	D	2 - 103	2 - 103
2	28	ASP	ASP	MET	MET	L	L	2 - 103	2 - 103
1	29	MET	MET	LYS	LYS	D	D	1 - 104	1 - 104
2	29	MET	MET	LYS	LYS	P	P	1 - 104	1 - 104
1	30	MET	MET	LYS	LYS	D	D	1 - 104	1 - 104
2	30	MET	MET	LYS	LYS	T	T	1 - 104	1 - 104
1	31	MET	MET	LYS	LYS	D	D	1 - 104	1 - 104
2	31	MET	MET	LYS	LYS	X	X	1 - 104	1 - 104
1	32	MET	MET	LYS	LYS	D	D	1 - 104	1 - 104
2	32	MET	MET	LYS	LYS	b	BA	1 - 104	1 - 104
1	33	MET	MET	VAL	VAL	D	D	1 - 102	1 - 102
2	33	MET	MET	VAL	VAL	f	FA	1 - 102	1 - 102
1	34	ASP	ASP	MET	MET	D	D	2 - 103	2 - 103
2	34	ASP	ASP	MET	MET	j	JA	2 - 103	2 - 103
1	35	MET	MET	LYS	LYS	D	D	1 - 104	1 - 104
2	35	MET	MET	LYS	LYS	n	NA	1 - 104	1 - 104
1	36	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
2	36	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
1	37	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
2	37	LEU	LEU	GLU	GLU	M	M	12 - 120	12 - 120
1	38	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
2	38	LEU	LEU	GLU	GLU	Q	Q	12 - 120	12 - 120
1	39	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
2	39	LEU	LEU	GLU	GLU	U	U	12 - 120	12 - 120
1	40	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
2	40	LEU	LEU	GLU	GLU	Y	Y	12 - 120	12 - 120
1	41	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
2	41	LEU	LEU	GLU	GLU	c	CA	12 - 120	12 - 120
1	42	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
2	42	LEU	LEU	GLU	GLU	g	GA	12 - 120	12 - 120
1	43	LEU	LEU	GLU	GLU	E	E	12 - 120	12 - 120
2	43	LEU	LEU	GLU	GLU	k	KA	12 - 120	12 - 120
1	44	PRO	PRO	HIS	HIS	F	F	9 - 156	9 - 156
2	44	PRO	PRO	HIS	HIS	J	J	9 - 156	9 - 156
1	45	PRO	PRO	GLN	GLN	F	F	9 - 157	9 - 157
2	45	PRO	PRO	GLN	GLN	N	N	9 - 157	9 - 157
1	46	VAL	VAL	HIS	HIS	F	F	10 - 156	10 - 156
2	46	VAL	VAL	HIS	HIS	R	R	10 - 156	10 - 156
1	47	PRO	PRO	HIS	HIS	F	F	9 - 156	9 - 156
2	47	PRO	PRO	HIS	HIS	V	V	9 - 156	9 - 156
1	48	PRO	PRO	GLN	GLN	F	F	9 - 157	9 - 157
2	48	PRO	PRO	GLN	GLN	Z	Z	9 - 157	9 - 157
1	49	VAL	VAL	HIS	HIS	F	F	10 - 156	10 - 156
2	49	VAL	VAL	HIS	HIS	d	DA	10 - 156	10 - 156
1	50	PRO	PRO	HIS	HIS	F	F	9 - 156	9 - 156
2	50	PRO	PRO	HIS	HIS	h	HA	9 - 156	9 - 156
1	51	PRO	PRO	ARG	ARG	F	F	9 - 153	9 - 153
2	51	PRO	PRO	ARG	ARG	l	LA	9 - 153	9 - 153
1	52	MET	MET	CYS	CYS	G	G	1 - 96	1 - 96
2	52	MET	MET	CYS	CYS	K	K	1 - 96	1 - 96
1	53	TYR	TYR	CYS	CYS	G	G	2 - 96	2 - 96
2	53	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
1	54	MET	MET	CYS	CYS	G	G	1 - 96	1 - 96
2	54	MET	MET	CYS	CYS	S	S	1 - 96	1 - 96
1	55	MET	MET	CYS	CYS	G	G	1 - 96	1 - 96
2	55	MET	MET	CYS	CYS	W	W	1 - 96	1 - 96
1	56	MET	MET	CYS	CYS	G	G	1 - 96	1 - 96
2	56	MET	MET	CYS	CYS	a	AA	1 - 96	1 - 96
1	57	MET	MET	CYS	CYS	G	G	1 - 96	1 - 96
2	57	MET	MET	CYS	CYS	e	EA	1 - 96	1 - 96
1	58	MET	MET	CYS	CYS	G	G	1 - 96	1 - 96
2	58	MET	MET	CYS	CYS	i	IA	1 - 96	1 - 96
1	59	MET	MET	CYS	CYS	G	G	1 - 96	1 - 96
2	59	MET	MET	CYS	CYS	m	MA	1 - 96	1 - 96
1	60	ASP	ASP	MET	MET	H	H	2 - 103	2 - 103
2	60	ASP	ASP	MET	MET	L	L	2 - 103	2 - 103
1	61	MET	MET	LYS	LYS	H	H	1 - 104	1 - 104
2	61	MET	MET	LYS	LYS	P	P	1 - 104	1 - 104
1	62	MET	MET	LYS	LYS	H	H	1 - 104	1 - 104
2	62	MET	MET	LYS	LYS	T	T	1 - 104	1 - 104
1	63	MET	MET	LYS	LYS	H	H	1 - 104	1 - 104
2	63	MET	MET	LYS	LYS	X	X	1 - 104	1 - 104
1	64	MET	MET	LYS	LYS	H	H	1 - 104	1 - 104
2	64	MET	MET	LYS	LYS	b	BA	1 - 104	1 - 104
1	65	MET	MET	VAL	VAL	H	H	1 - 102	1 - 102
2	65	MET	MET	VAL	VAL	f	FA	1 - 102	1 - 102
1	66	ASP	ASP	MET	MET	H	H	2 - 103	2 - 103
2	66	ASP	ASP	MET	MET	j	JA	2 - 103	2 - 103
1	67	MET	MET	LYS	LYS	H	H	1 - 104	1 - 104
2	67	MET	MET	LYS	LYS	n	NA	1 - 104	1 - 104
1	68	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
2	68	LEU	LEU	GLU	GLU	M	M	12 - 120	12 - 120
1	69	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
2	69	LEU	LEU	GLU	GLU	Q	Q	12 - 120	12 - 120
1	70	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
2	70	LEU	LEU	GLU	GLU	U	U	12 - 120	12 - 120
1	71	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
2	71	LEU	LEU	GLU	GLU	Y	Y	12 - 120	12 - 120
1	72	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
2	72	LEU	LEU	GLU	GLU	c	CA	12 - 120	12 - 120
1	73	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
2	73	LEU	LEU	GLU	GLU	g	GA	12 - 120	12 - 120
1	74	LEU	LEU	GLU	GLU	I	I	12 - 120	12 - 120
2	74	LEU	LEU	GLU	GLU	k	KA	12 - 120	12 - 120
1	75	PRO	PRO	HIS	HIS	J	J	9 - 156	9 - 156
2	75	PRO	PRO	HIS	HIS	N	N	9 - 156	9 - 156
1	76	VAL	VAL	HIS	HIS	J	J	10 - 156	10 - 156
2	76	VAL	VAL	HIS	HIS	R	R	10 - 156	10 - 156
1	77	PRO	PRO	GLN	GLN	J	J	9 - 157	9 - 157
2	77	PRO	PRO	GLN	GLN	V	V	9 - 157	9 - 157
1	78	PRO	PRO	HIS	HIS	J	J	9 - 156	9 - 156
2	78	PRO	PRO	HIS	HIS	Z	Z	9 - 156	9 - 156
1	79	VAL	VAL	HIS	HIS	J	J	10 - 156	10 - 156
2	79	VAL	VAL	HIS	HIS	d	DA	10 - 156	10 - 156
1	80	PRO	PRO	GLN	GLN	J	J	9 - 157	9 - 157
2	80	PRO	PRO	GLN	GLN	h	HA	9 - 157	9 - 157
1	81	PRO	PRO	ARG	ARG	J	J	9 - 153	9 - 153
2	81	PRO	PRO	ARG	ARG	l	LA	9 - 153	9 - 153
1	82	TYR	TYR	CYS	CYS	K	K	2 - 96	2 - 96
2	82	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
1	83	MET	MET	CYS	CYS	K	K	1 - 96	1 - 96
2	83	MET	MET	CYS	CYS	S	S	1 - 96	1 - 96
1	84	MET	MET	CYS	CYS	K	K	1 - 96	1 - 96
2	84	MET	MET	CYS	CYS	W	W	1 - 96	1 - 96
1	85	MET	MET	CYS	CYS	K	K	1 - 96	1 - 96
2	85	MET	MET	CYS	CYS	a	AA	1 - 96	1 - 96
1	86	MET	MET	CYS	CYS	K	K	1 - 96	1 - 96
2	86	MET	MET	CYS	CYS	e	EA	1 - 96	1 - 96
1	87	MET	MET	CYS	CYS	K	K	1 - 96	1 - 96
2	87	MET	MET	CYS	CYS	i	IA	1 - 96	1 - 96
1	88	MET	MET	CYS	CYS	K	K	1 - 96	1 - 96
2	88	MET	MET	CYS	CYS	m	MA	1 - 96	1 - 96
1	89	ASP	ASP	MET	MET	L	L	2 - 103	2 - 103
2	89	ASP	ASP	MET	MET	P	P	2 - 103	2 - 103
1	90	ASP	ASP	MET	MET	L	L	2 - 103	2 - 103
2	90	ASP	ASP	MET	MET	T	T	2 - 103	2 - 103
1	91	ASP	ASP	MET	MET	L	L	2 - 103	2 - 103
2	91	ASP	ASP	MET	MET	X	X	2 - 103	2 - 103
1	92	ASP	ASP	MET	MET	L	L	2 - 103	2 - 103
2	92	ASP	ASP	MET	MET	b	BA	2 - 103	2 - 103
1	93	ASP	ASP	VAL	VAL	L	L	2 - 102	2 - 102
2	93	ASP	ASP	VAL	VAL	f	FA	2 - 102	2 - 102
1	94	ASP	ASP	LYS	LYS	L	L	2 - 104	2 - 104
2	94	ASP	ASP	LYS	LYS	j	JA	2 - 104	2 - 104
1	95	ASP	ASP	LYS	LYS	L	L	2 - 104	2 - 104
2	95	ASP	ASP	LYS	LYS	n	NA	2 - 104	2 - 104
1	96	LEU	LEU	GLU	GLU	M	M	12 - 120	12 - 120
2	96	LEU	LEU	GLU	GLU	U	U	12 - 120	12 - 120
1	97	LEU	LEU	GLU	GLU	M	M	12 - 120	12 - 120
2	97	LEU	LEU	GLU	GLU	Y	Y	12 - 120	12 - 120
1	98	LEU	LEU	GLU	GLU	M	M	12 - 120	12 - 120
2	98	LEU	LEU	GLU	GLU	c	CA	12 - 120	12 - 120
1	99	LEU	LEU	GLU	GLU	M	M	12 - 120	12 - 120
2	99	LEU	LEU	GLU	GLU	g	GA	12 - 120	12 - 120
1	100	LEU	LEU	GLU	GLU	M	M	12 - 120	12 - 120
2	100	LEU	LEU	GLU	GLU	k	KA	12 - 120	12 - 120
1	101	VAL	VAL	HIS	HIS	N	N	10 - 156	10 - 156
2	101	VAL	VAL	HIS	HIS	R	R	10 - 156	10 - 156
1	102	PRO	PRO	HIS	HIS	N	N	9 - 156	9 - 156
2	102	PRO	PRO	HIS	HIS	V	V	9 - 156	9 - 156
1	103	PRO	PRO	ARG	ARG	N	N	9 - 158	9 - 158
2	103	PRO	PRO	ARG	ARG	Z	Z	9 - 158	9 - 158
1	104	VAL	VAL	HIS	HIS	N	N	10 - 156	10 - 156
2	104	VAL	VAL	HIS	HIS	d	DA	10 - 156	10 - 156
1	105	PRO	PRO	HIS	HIS	N	N	9 - 156	9 - 156
2	105	PRO	PRO	HIS	HIS	h	HA	9 - 156	9 - 156
1	106	PRO	PRO	ARG	ARG	N	N	9 - 153	9 - 153
2	106	PRO	PRO	ARG	ARG	l	LA	9 - 153	9 - 153
1	107	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
2	107	TYR	TYR	CYS	CYS	S	S	2 - 96	2 - 96
1	108	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
2	108	TYR	TYR	CYS	CYS	W	W	2 - 96	2 - 96
1	109	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
2	109	TYR	TYR	CYS	CYS	a	AA	2 - 96	2 - 96
1	110	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
2	110	TYR	TYR	CYS	CYS	e	EA	2 - 96	2 - 96
1	111	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
2	111	TYR	TYR	CYS	CYS	i	IA	2 - 96	2 - 96
1	112	TYR	TYR	CYS	CYS	O	O	2 - 96	2 - 96
2	112	TYR	TYR	CYS	CYS	m	MA	2 - 96	2 - 96
1	113	MET	MET	LYS	LYS	P	P	1 - 104	1 - 104
2	113	MET	MET	LYS	LYS	T	T	1 - 104	1 - 104
1	114	MET	MET	LYS	LYS	P	P	1 - 104	1 - 104
2	114	MET	MET	LYS	LYS	X	X	1 - 104	1 - 104
1	115	MET	MET	LYS	LYS	P	P	1 - 104	1 - 104
2	115	MET	MET	LYS	LYS	b	BA	1 - 104	1 - 104
1	116	MET	MET	VAL	VAL	P	P	1 - 102	1 - 102
2	116	MET	MET	VAL	VAL	f	FA	1 - 102	1 - 102
1	117	ASP	ASP	MET	MET	P	P	2 - 103	2 - 103
2	117	ASP	ASP	MET	MET	j	JA	2 - 103	2 - 103
1	118	MET	MET	LYS	LYS	P	P	1 - 104	1 - 104
2	118	MET	MET	LYS	LYS	n	NA	1 - 104	1 - 104
1	119	VAL	VAL	HIS	HIS	R	R	10 - 156	10 - 156
2	119	VAL	VAL	HIS	HIS	V	V	10 - 156	10 - 156
1	120	VAL	VAL	HIS	HIS	R	R	10 - 156	10 - 156
2	120	VAL	VAL	HIS	HIS	Z	Z	10 - 156	10 - 156
1	121	VAL	VAL	GLN	GLN	R	R	10 - 157	10 - 157
2	121	VAL	VAL	GLN	GLN	d	DA	10 - 157	10 - 157
1	122	VAL	VAL	HIS	HIS	R	R	10 - 156	10 - 156
2	122	VAL	VAL	HIS	HIS	h	HA	10 - 156	10 - 156
1	123	VAL	VAL	ARG	ARG	R	R	10 - 153	10 - 153
2	123	VAL	VAL	ARG	ARG	l	LA	10 - 153	10 - 153
1	124	MET	MET	CYS	CYS	S	S	1 - 96	1 - 96
2	124	MET	MET	CYS	CYS	W	W	1 - 96	1 - 96
1	125	MET	MET	CYS	CYS	S	S	1 - 96	1 - 96
2	125	MET	MET	CYS	CYS	a	AA	1 - 96	1 - 96
1	126	MET	MET	CYS	CYS	S	S	1 - 96	1 - 96
2	126	MET	MET	CYS	CYS	e	EA	1 - 96	1 - 96
1	127	MET	MET	CYS	CYS	S	S	1 - 96	1 - 96
2	127	MET	MET	CYS	CYS	i	IA	1 - 96	1 - 96
1	128	MET	MET	CYS	CYS	S	S	1 - 96	1 - 96
2	128	MET	MET	CYS	CYS	m	MA	1 - 96	1 - 96
1	129	MET	MET	LYS	LYS	T	T	1 - 104	1 - 104
2	129	MET	MET	LYS	LYS	X	X	1 - 104	1 - 104
1	130	MET	MET	LYS	LYS	T	T	1 - 104	1 - 104
2	130	MET	MET	LYS	LYS	b	BA	1 - 104	1 - 104
1	131	MET	MET	VAL	VAL	T	T	1 - 102	1 - 102
2	131	MET	MET	VAL	VAL	f	FA	1 - 102	1 - 102
1	132	ASP	ASP	MET	MET	T	T	2 - 103	2 - 103
2	132	ASP	ASP	MET	MET	j	JA	2 - 103	2 - 103
1	133	MET	MET	LYS	LYS	T	T	1 - 104	1 - 104
2	133	MET	MET	LYS	LYS	n	NA	1 - 104	1 - 104
1	134	LEU	LEU	GLU	GLU	U	U	12 - 120	12 - 120
2	134	LEU	LEU	GLU	GLU	Y	Y	12 - 120	12 - 120
1	135	LEU	LEU	GLU	GLU	U	U	12 - 120	12 - 120
2	135	LEU	LEU	GLU	GLU	c	CA	12 - 120	12 - 120
1	136	LEU	LEU	GLU	GLU	U	U	12 - 120	12 - 120
2	136	LEU	LEU	GLU	GLU	g	GA	12 - 120	12 - 120
1	137	LEU	LEU	GLU	GLU	U	U	12 - 120	12 - 120
2	137	LEU	LEU	GLU	GLU	k	KA	12 - 120	12 - 120
1	138	PRO	PRO	HIS	HIS	V	V	9 - 156	9 - 156
2	138	PRO	PRO	HIS	HIS	Z	Z	9 - 156	9 - 156
1	139	VAL	VAL	HIS	HIS	V	V	10 - 156	10 - 156
2	139	VAL	VAL	HIS	HIS	d	DA	10 - 156	10 - 156
1	140	PRO	PRO	GLN	GLN	V	V	9 - 157	9 - 157
2	140	PRO	PRO	GLN	GLN	h	HA	9 - 157	9 - 157
1	141	PRO	PRO	ARG	ARG	V	V	9 - 153	9 - 153
2	141	PRO	PRO	ARG	ARG	l	LA	9 - 153	9 - 153
1	142	MET	MET	CYS	CYS	W	W	1 - 96	1 - 96
2	142	MET	MET	CYS	CYS	a	AA	1 - 96	1 - 96
1	143	MET	MET	CYS	CYS	W	W	1 - 96	1 - 96
2	143	MET	MET	CYS	CYS	e	EA	1 - 96	1 - 96
1	144	MET	MET	CYS	CYS	W	W	1 - 96	1 - 96
2	144	MET	MET	CYS	CYS	i	IA	1 - 96	1 - 96
1	145	MET	MET	CYS	CYS	W	W	1 - 96	1 - 96
2	145	MET	MET	CYS	CYS	m	MA	1 - 96	1 - 96
1	146	MET	MET	LYS	LYS	X	X	1 - 104	1 - 104
2	146	MET	MET	LYS	LYS	b	BA	1 - 104	1 - 104
1	147	MET	MET	VAL	VAL	X	X	1 - 102	1 - 102
2	147	MET	MET	VAL	VAL	f	FA	1 - 102	1 - 102
1	148	ASP	ASP	MET	MET	X	X	2 - 103	2 - 103
2	148	ASP	ASP	MET	MET	j	JA	2 - 103	2 - 103
1	149	MET	MET	LYS	LYS	X	X	1 - 104	1 - 104
2	149	MET	MET	LYS	LYS	n	NA	1 - 104	1 - 104
1	150	LEU	LEU	GLU	GLU	Y	Y	12 - 120	12 - 120
2	150	LEU	LEU	GLU	GLU	c	CA	12 - 120	12 - 120
1	151	LEU	LEU	GLU	GLU	Y	Y	12 - 120	12 - 120
2	151	LEU	LEU	GLU	GLU	g	GA	12 - 120	12 - 120
1	152	LEU	LEU	GLU	GLU	Y	Y	12 - 120	12 - 120
2	152	LEU	LEU	GLU	GLU	k	KA	12 - 120	12 - 120
1	153	VAL	VAL	HIS	HIS	Z	Z	10 - 156	10 - 156
2	153	VAL	VAL	HIS	HIS	d	DA	10 - 156	10 - 156
1	154	PRO	PRO	HIS	HIS	Z	Z	9 - 156	9 - 156
2	154	PRO	PRO	HIS	HIS	h	HA	9 - 156	9 - 156
1	155	PRO	PRO	ARG	ARG	Z	Z	9 - 153	9 - 153
2	155	PRO	PRO	ARG	ARG	l	LA	9 - 153	9 - 153
1	156	MET	MET	CYS	CYS	a	AA	1 - 96	1 - 96
2	156	MET	MET	CYS	CYS	e	EA	1 - 96	1 - 96
1	157	MET	MET	CYS	CYS	a	AA	1 - 96	1 - 96
2	157	MET	MET	CYS	CYS	i	IA	1 - 96	1 - 96
1	158	MET	MET	CYS	CYS	a	AA	1 - 96	1 - 96
2	158	MET	MET	CYS	CYS	m	MA	1 - 96	1 - 96
1	159	MET	MET	VAL	VAL	b	BA	1 - 102	1 - 102
2	159	MET	MET	VAL	VAL	f	FA	1 - 102	1 - 102
1	160	ASP	ASP	MET	MET	b	BA	2 - 103	2 - 103
2	160	ASP	ASP	MET	MET	j	JA	2 - 103	2 - 103
1	161	MET	MET	LYS	LYS	b	BA	1 - 104	1 - 104
2	161	MET	MET	LYS	LYS	n	NA	1 - 104	1 - 104
1	162	LEU	LEU	GLU	GLU	c	CA	12 - 120	12 - 120
2	162	LEU	LEU	GLU	GLU	g	GA	12 - 120	12 - 120
1	163	LEU	LEU	GLU	GLU	c	CA	12 - 120	12 - 120
2	163	LEU	LEU	GLU	GLU	k	KA	12 - 120	12 - 120
1	164	VAL	VAL	HIS	HIS	d	DA	10 - 156	10 - 156
2	164	VAL	VAL	HIS	HIS	h	HA	10 - 156	10 - 156
1	165	VAL	VAL	ARG	ARG	d	DA	10 - 153	10 - 153
2	165	VAL	VAL	ARG	ARG	l	LA	10 - 153	10 - 153
1	166	MET	MET	CYS	CYS	e	EA	1 - 96	1 - 96
2	166	MET	MET	CYS	CYS	i	IA	1 - 96	1 - 96
1	167	MET	MET	CYS	CYS	e	EA	1 - 96	1 - 96
2	167	MET	MET	CYS	CYS	m	MA	1 - 96	1 - 96
1	168	ASP	ASP	VAL	VAL	f	FA	2 - 102	2 - 102
2	168	ASP	ASP	VAL	VAL	j	JA	2 - 102	2 - 102
1	169	MET	MET	MET	MET	f	FA	1 - 103	1 - 103
2	169	MET	MET	MET	MET	n	NA	1 - 103	1 - 103
1	170	LEU	LEU	GLU	GLU	g	GA	12 - 120	12 - 120
2	170	LEU	LEU	GLU	GLU	k	KA	12 - 120	12 - 120
1	171	PRO	PRO	ARG	ARG	h	HA	9 - 153	9 - 153
2	171	PRO	PRO	ARG	ARG	l	LA	9 - 153	9 - 153
1	172	MET	MET	CYS	CYS	i	IA	1 - 96	1 - 96
2	172	MET	MET	CYS	CYS	m	MA	1 - 96	1 - 96
1	173	ASP	ASP	LYS	LYS	j	JA	2 - 104	2 - 104
2	173	ASP	ASP	LYS	LYS	n	NA	2 - 104	2 - 104

NCSアンサンブル:

ID
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173

要素

タンパク質 , 4種, 40分子 A E I M Q U Y c g k B F J N R V Z d h l C G K O S W a e i m ...

#1: タンパク質

A E I M Q U Y c g k
Isoform Short of Probable global transcription activator SNF2L2 / ATP-dependent helicase SMARCA2 / BRG1-associated factor 190B / BAF190B / Protein brahma homolog / hBRM / SNF2-alpha / SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 2

詳細:

分子量: 13991.118 Da / 分子数: 10 / 断片: UNP residues 1373-1491 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: SMARCA2, BAF190B, BRM, SNF2A, SNF2L2
発現宿主: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (大腸菌)
参照: UniProt: P51531, 加水分解酵素; 酸無水物に作用; 酸無水物に作用・細胞または細胞小器官の運動に関与

#2: タンパク質

B F J N R V Z d h l
von Hippel-Lindau disease tumor suppressor / Protein G7 / pVHL

詳細:

分子量: 18615.215 Da / 分子数: 10 / 断片: UNP residues 54-213 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: VHL
発現宿主: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (大腸菌)
参照: UniProt: P40337

#3: タンパク質

C G K O S W a e i m
Elongin-C / EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / Transcription elongation factor B polypeptide 1

詳細:

分子量: 10843.420 Da / 分子数: 10 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: ELOC, TCEB1
発現宿主: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (大腸菌)
参照: UniProt: Q15369

#4: タンパク質

D H L P T X b f j n
Elongin-B / EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / Transcription elongation factor B polypeptide 2

詳細:

分子量: 11748.406 Da / 分子数: 10 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: ELOB, TCEB2
発現宿主: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (大腸菌)
参照: UniProt: Q15370

非ポリマー , 4種, 92分子

#5: 化合物

B-201 F-201 J-201 N-201 R-201 V-201 Z-201 d-201 h-201 k-201
ChemComp-A1BB4 / (4R)-4-hydroxy-1-[(2R)-2-(3-{[(2S)-1-{(3R)-3-[(2M,6aS,11S)-2-(2-hydroxyphenyl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':4,5]pyrazino[2,3-c]pyridazin-8-yl]pyrrolidin-1-yl}propan-2-yl]oxy}-1,2-oxazol-5-yl)-3-methylbutanoyl]-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide

詳細:

分子量: 891.092 Da / 分子数: 10 / 由来タイプ: 合成 / 式: C₄₇H₅₈N₁₀O₆S

#6: 化合物

C-101 S-101 W-101 a-101 e-101
ChemComp-CIT / CITRIC ACID

詳細:

分子量: 192.124 Da / 分子数: 5 / 由来タイプ: 合成 / 式: C₆H₈O₇

#7: 化合物

F-202 ChemComp-ACT / ACETATE ION

詳細:

分子量: 59.044 Da / 分子数: 1 / 由来タイプ: 合成 / 式: C₂H₃O₂

#8: 水

ChemComp-HOH / water

詳細:

分子量: 18.015 Da / 分子数: 76 / 由来タイプ: 天然 / 式: H₂O

詳細

• 研究の焦点であるリガンドがあるか: N
• Has protein modification: N

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: 3.51 ų/Da / 溶媒含有率: 64.97 %
• 結晶化: 温度: 291 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 5.26 ; 詳細: 2% v/v Tacsimate, pH 5.0, 0.1 M tri-sodium citrate, pH 5.26, 11.36% w/v PEG3350, 0.1 M barium chloride dihydrate

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: SPring-8 / ビームライン: BL45PX / 波長: 0.99999 Å
• 検出器: タイプ: DECTRIS PILATUS3 6M / 検出器: PIXEL / 日付: 2024年5月29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: 0.99999 Å / 相対比: 1
• 反射: 解像度: 3.187→49.48 Å / Num. obs: 106916 / % possible obs: 96.8 % / 冗長度: 22.1 % / CC_1/2: 0.998 / R_merge(I) obs: 0.355 / R_pim(I) all: 0.077 / R_rim(I) all: 0.363 / Net I/σ(I): 11.9
• 反射 シェル: 解像度: 3.187→3.329 Å / 冗長度: 20.9 % / R_merge(I) obs: 1.338 / Num. unique obs: 5346 / CC_1/2: 0.868 / R_pim(I) all: 0.3 / R_rim(I) all: 1.372 / % possible all: 96.6

解析

ソフトウェア

名称	バージョン	分類
REFMAC	5.8.0267	精密化
PDB_EXTRACT	3.28	データ抽出
XDS		データ削減
STARANISO		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 / 解像度: 3.19→49.48 Å / Cor.coef. F_o:F_c: 0.869 / Cor.coef. F_o:F_c free: 0.855 / SU B: 27.156 / SU ML: 0.458 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.595 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD
詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY

	Rfactor	反射数	%反射	Selection details
Rfree	0.2848	5456	5.1 %	RANDOM
Rwork	0.2559	-	-	-
obs	0.2574	101460	82.28 %	-

• 溶媒の処理: イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK

原子変位パラメータ

B_iso max: 375.08 Ų / B_iso mean: 80.98 Ų / B_iso min: 0.5 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	-0.66 Å2	-0 Å2	-0 Å2
2-	-	-0.02 Å2	0 Å2
3-	-	-	0.68 Å2

精密化ステップ

サイクル: final / 解像度: 3.19→49.48 Å

	タンパク質	核酸	リガンド	溶媒	全体
原子数	36152	0	709	76	36937
Biso mean	-	-	77.24	21.23	-
残基数	-	-	-	-	4465

拘束条件

Refine-ID	タイプ	Dev ideal	Dev ideal target	数
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.013	37683
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.015	36273
X-RAY DIFFRACTION	r_angle_refined_deg	1.504	1.682	51033
X-RAY DIFFRACTION	r_angle_other_deg	1.232	1.603	83683
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.238	5	4410
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	28.589	21.509	2088
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.422	15	6702
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.285	15	322
X-RAY DIFFRACTION	r_chiral_restr	0.067	0.2	4887
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	41398
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	8550
X-RAY DIFFRACTION	r_mcbond_it	3.817	8.654	17809
X-RAY DIFFRACTION	r_mcbond_other	3.817	8.654	17807
X-RAY DIFFRACTION	r_mcangle_it	6.62	12.959	22162

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / タイプ: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	数	Rms dev position (Å)
1	1	A	2754	0.16
1	2	E	2754	0.16
2	1	A	2861	0.18
2	2	I	2861	0.18
3	1	A	3342	0.14
3	2	M	3342	0.14
4	1	A	3285	0.15
4	2	U	3285	0.15
5	1	A	3320	0.13
5	2	Y	3320	0.13
6	1	A	3287	0.16
6	2	c	3287	0.16
7	1	A	3261	0.15
7	2	g	3261	0.15
8	1	A	3264	0.15
8	2	k	3264	0.15
9	1	B	4502	0.13
9	2	F	4502	0.13
10	1	B	4498	0.14
10	2	J	4498	0.14
11	1	B	4448	0.14
11	2	N	4448	0.14
12	1	B	4501	0.14
12	2	R	4501	0.14
13	1	B	4512	0.12
13	2	V	4512	0.12
14	1	B	4504	0.13
14	2	Z	4504	0.13
15	1	B	4491	0.14
15	2	d	4491	0.14
16	1	B	4376	0.14
16	2	h	4376	0.14
17	1	B	4344	0.14
17	2	l	4344	0.14
18	1	C	2520	0.16
18	2	G	2520	0.16
19	1	C	2555	0.15
19	2	K	2555	0.15
20	1	C	2496	0.14
20	2	O	2496	0.14
21	1	C	2476	0.18
21	2	S	2476	0.18
22	1	C	2542	0.13
22	2	W	2542	0.13
23	1	C	2541	0.14
23	2	a	2541	0.14
24	1	C	2517	0.16
24	2	e	2517	0.16
25	1	C	2517	0.15
25	2	i	2517	0.15
26	1	C	2468	0.16
26	2	m	2468	0.16
27	1	D	2722	0.19
27	2	H	2722	0.19
28	1	D	2626	0.2
28	2	L	2626	0.2
29	1	D	2769	0.19
29	2	P	2769	0.19
30	1	D	2708	0.2
30	2	T	2708	0.2
31	1	D	2745	0.18
31	2	X	2745	0.18
32	1	D	2711	0.2
32	2	b	2711	0.2
33	1	D	2653	0.19
33	2	f	2653	0.19
34	1	D	2423	0.23
34	2	j	2423	0.23
35	1	D	2367	0.27
35	2	n	2367	0.27
36	1	E	2548	0.13
36	2	I	2548	0.13
37	1	E	2824	0.12
37	2	M	2824	0.12
38	1	E	2195	0.14
38	2	Q	2195	0.14
39	1	E	2811	0.11
39	2	U	2811	0.11
40	1	E	2814	0.11
40	2	Y	2814	0.11
41	1	E	2787	0.12
41	2	c	2787	0.12
42	1	E	2750	0.12
42	2	g	2750	0.12
43	1	E	2779	0.12
43	2	k	2779	0.12
44	1	F	4536	0.14
44	2	J	4536	0.14
45	1	F	4538	0.15
45	2	N	4538	0.15
46	1	F	4347	0.16
46	2	R	4347	0.16
47	1	F	4457	0.14
47	2	V	4457	0.14
48	1	F	4486	0.15
48	2	Z	4486	0.15
49	1	F	4444	0.15
49	2	d	4444	0.15
50	1	F	4425	0.15
50	2	h	4425	0.15
51	1	F	4380	0.13
51	2	l	4380	0.13
52	1	G	2585	0.16
52	2	K	2585	0.16
53	1	G	2518	0.15
53	2	O	2518	0.15
54	1	G	2483	0.18
54	2	S	2483	0.18
55	1	G	2559	0.15
55	2	W	2559	0.15
56	1	G	2577	0.15
56	2	a	2577	0.15
57	1	G	2618	0.15
57	2	e	2618	0.15
58	1	G	2525	0.16
58	2	i	2525	0.16
59	1	G	2511	0.16
59	2	m	2511	0.16
60	1	H	2733	0.17
60	2	L	2733	0.17
61	1	H	2997	0.13
61	2	P	2997	0.13
62	1	H	2994	0.13
62	2	T	2994	0.13
63	1	H	3025	0.11
63	2	X	3025	0.11
64	1	H	2942	0.13
64	2	b	2942	0.13
65	1	H	2913	0.13
65	2	f	2913	0.13
66	1	H	2413	0.22
66	2	j	2413	0.22
67	1	H	2319	0.26
67	2	n	2319	0.26
68	1	I	2942	0.13
68	2	M	2942	0.13
69	1	I	2443	0.14
69	2	Q	2443	0.14
70	1	I	2951	0.11
70	2	U	2951	0.11
71	1	I	2939	0.13
71	2	Y	2939	0.13
72	1	I	2949	0.14
72	2	c	2949	0.14
73	1	I	2888	0.15
73	2	g	2888	0.15
74	1	I	2935	0.12
74	2	k	2935	0.12
75	1	J	4539	0.15
75	2	N	4539	0.15
76	1	J	4315	0.17
76	2	R	4315	0.17
77	1	J	4502	0.15
77	2	V	4502	0.15
78	1	J	4429	0.15
78	2	Z	4429	0.15
79	1	J	4452	0.15
79	2	d	4452	0.15
80	1	J	4440	0.15
80	2	h	4440	0.15
81	1	J	4370	0.14
81	2	l	4370	0.14
82	1	K	2536	0.15
82	2	O	2536	0.15
83	1	K	2518	0.18
83	2	S	2518	0.18
84	1	K	2550	0.15
84	2	W	2550	0.15
85	1	K	2611	0.14
85	2	a	2611	0.14
86	1	K	2603	0.16
86	2	e	2603	0.16
87	1	K	2535	0.16
87	2	i	2535	0.16
88	1	K	2519	0.16
88	2	m	2519	0.16
89	1	L	2755	0.16
89	2	P	2755	0.16
90	1	L	2716	0.17
90	2	T	2716	0.17
91	1	L	2746	0.16
91	2	X	2746	0.16
92	1	L	2707	0.16
92	2	b	2707	0.16
93	1	L	2706	0.16
93	2	f	2706	0.16
94	1	L	2428	0.23
94	2	j	2428	0.23
95	1	L	2298	0.27
95	2	n	2298	0.27
96	1	M	3387	0.1
96	2	U	3387	0.1
97	1	M	3415	0.07
97	2	Y	3415	0.07
98	1	M	3388	0.1
98	2	c	3388	0.1
99	1	M	3338	0.11
99	2	g	3338	0.11
100	1	M	3379	0.11
100	2	k	3379	0.11
101	1	N	4352	0.17
101	2	R	4352	0.17
102	1	N	4453	0.16
102	2	V	4453	0.16
103	1	N	4433	0.17
103	2	Z	4433	0.17
104	1	N	4438	0.16
104	2	d	4438	0.16
105	1	N	4409	0.16
105	2	h	4409	0.16
106	1	N	4376	0.14
106	2	l	4376	0.14
107	1	O	2553	0.15
107	2	S	2553	0.15
108	1	O	2521	0.13
108	2	W	2521	0.13
109	1	O	2506	0.15
109	2	a	2506	0.15
110	1	O	2513	0.14
110	2	e	2513	0.14
111	1	O	2454	0.17
111	2	i	2454	0.17
112	1	O	2470	0.15
112	2	m	2470	0.15
113	1	P	2989	0.13
113	2	T	2989	0.13
114	1	P	3047	0.11
114	2	X	3047	0.11
115	1	P	2959	0.14
115	2	b	2959	0.14
116	1	P	2973	0.12
116	2	f	2973	0.12
117	1	P	2445	0.22
117	2	j	2445	0.22
118	1	P	2344	0.26
118	2	n	2344	0.26
119	1	R	4449	0.14
119	2	V	4449	0.14
120	1	R	4449	0.14
120	2	Z	4449	0.14
121	1	R	4438	0.15
121	2	d	4438	0.15
122	1	R	4307	0.15
122	2	h	4307	0.15
123	1	R	4280	0.15
123	2	l	4280	0.15
124	1	S	2502	0.16
124	2	W	2502	0.16
125	1	S	2544	0.17
125	2	a	2544	0.17
126	1	S	2524	0.17
126	2	e	2524	0.17
127	1	S	2443	0.19
127	2	i	2443	0.19
128	1	S	2436	0.18
128	2	m	2436	0.18
129	1	T	3084	0.1
129	2	X	3084	0.1
130	1	T	2993	0.13
130	2	b	2993	0.13
131	1	T	2961	0.12
131	2	f	2961	0.12
132	1	T	2426	0.22
132	2	j	2426	0.22
133	1	T	2292	0.26
133	2	n	2292	0.26
134	1	U	3427	0.08
134	2	Y	3427	0.08
135	1	U	3344	0.11
135	2	c	3344	0.11
136	1	U	3317	0.11
136	2	g	3317	0.11
137	1	U	3387	0.1
137	2	k	3387	0.1
138	1	V	4504	0.13
138	2	Z	4504	0.13
139	1	V	4437	0.15
139	2	d	4437	0.15
140	1	V	4456	0.15
140	2	h	4456	0.15
141	1	V	4353	0.14
141	2	l	4353	0.14
142	1	W	2562	0.13
142	2	a	2562	0.13
143	1	W	2564	0.14
143	2	e	2564	0.14
144	1	W	2495	0.16
144	2	i	2495	0.16
145	1	W	2473	0.15
145	2	m	2473	0.15
146	1	X	3016	0.13
146	2	b	3016	0.13
147	1	X	2996	0.11
147	2	f	2996	0.11
148	1	X	2428	0.22
148	2	j	2428	0.22
149	1	X	2329	0.25
149	2	n	2329	0.25
150	1	Y	3360	0.1
150	2	c	3360	0.1
151	1	Y	3324	0.1
151	2	g	3324	0.1
152	1	Y	3380	0.09
152	2	k	3380	0.09
153	1	Z	4479	0.14
153	2	d	4479	0.14
154	1	Z	4361	0.15
154	2	h	4361	0.15
155	1	Z	4318	0.15
155	2	l	4318	0.15
156	1	a	2649	0.13
156	2	e	2649	0.13
157	1	a	2517	0.16
157	2	i	2517	0.16
158	1	a	2483	0.16
158	2	m	2483	0.16
159	1	b	2966	0.12
159	2	f	2966	0.12
160	1	b	2417	0.22
160	2	j	2417	0.22
161	1	b	2297	0.25
161	2	n	2297	0.25
162	1	c	3354	0.11
162	2	g	3354	0.11
163	1	c	3349	0.12
163	2	k	3349	0.12
164	1	d	4358	0.16
164	2	h	4358	0.16
165	1	d	4278	0.16
165	2	l	4278	0.16
166	1	e	2530	0.16
166	2	i	2530	0.16
167	1	e	2516	0.15
167	2	m	2516	0.15
168	1	f	2424	0.22
168	2	j	2424	0.22
169	1	f	2288	0.26
169	2	n	2288	0.26
170	1	g	3318	0.12
170	2	k	3318	0.12
171	1	h	4334	0.13
171	2	l	4334	0.13
172	1	i	2553	0.16
172	2	m	2553	0.16
173	1	j	2318	0.25
173	2	n	2318	0.25

LS精密化 シェル

解像度: 3.19→3.269 Å / R_factor R_free error: 0

	Rfactor	反射数	%反射
Rfree	0.334	153	-
Rwork	0.311	2758	-
obs	-	-	30.72 %