1NW9

STRUCTURE OF CASPASE-9 IN AN INHIBITORY COMPLEX WITH XIAP-BIR3

Functional Information from GO Data

Chain	GOid	namespace	contents
B	0004197	molecular_function	cysteine-type endopeptidase activity
B	0006508	biological_process	proteolysis
B	0008234	molecular_function	cysteine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 501

Chain	Residue
A	CYS300
A	CYS303
A	HIS320
A	CYS327

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Functional Information from PROSITE/UniProt

site_id	PS01121
Number of Residues	15
Details	CASPASE_HIS Caspase family histidine active site. HgaldCcvVvILSHG

Chain	Residue	Details
B	HIS224-GLY238

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site_id	PS01122
Number of Residues	12
Details	CASPASE_CYS Caspase family cysteine active site. KPKLFFIQACGG

Chain	Residue	Details
B	LYS278-GLY289

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site_id	PS01282
Number of Residues	66
Details	BIR_REPEAT_1 BIR repeat. YeaRiftfgt.Wiysvnkeqlar...AGFyAlgegDkvkCfhCgggltdWkpsedpweqHakwyPgCkyL

Chain	Residue	Details
A	TYR265-LEU330

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: ACT_SITE => ECO:0000250

Chain	Residue	Details
B	HIS237
B	CYS287
A	HIS320
A	CYS327

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site_id	SWS_FT_FI2
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by ABL1 => ECO:0000269|PubMed:15657060

Chain	Residue	Details
B	TYR153
A	LYS328

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site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648

Chain	Residue	Details
B	SER302

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site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231

Chain	Residue	Details
B	SER307

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site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
B	SER310

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site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120

Chain	Residue	Details
B	ARG355

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 10745077, 10578173

Chain	Residue	Details
B	CYS287
B	CYS287
B	GLY238
B	HIS237
B	ARG178

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site_id	MCSA1
Number of Residues	4
Details	M-CSA 816

Chain	Residue	Details
B	ARG178	electrostatic stabiliser
B	HIS237	proton acceptor, proton donor
B	GLY238	electrostatic stabiliser
B	CYS287	nucleofuge, nucleophile, proton acceptor, proton donor

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