1UK0

Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase with a novel inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003950	molecular_function	NAD+ ADP-ribosyltransferase activity
B	0003950	molecular_function	NAD+ ADP-ribosyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE FRM A 501

Chain	Residue
A	ASP105
A	SER243
A	TYR246
A	LEU108
A	ASP109
A	HIS201
A	GLY202
A	SER203
A	ASN207
A	ARG217
A	TYR235

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site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE FRM B 502

Chain	Residue
B	LEU108
B	ASP109
B	HIS201
B	GLY202
B	ARG217
B	TYR235
B	PHE236
B	SER243
B	TYR246
B	GLU327
B	HOH505

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: For poly [ADP-ribose] polymerase activity => ECO:0000305|PubMed:32028527, ECO:0000305|PubMed:7852410, ECO:0000305|PubMed:9315851

Chain	Residue	Details
A	TYR328
B	TYR328

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site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250|UniProtKB:Q9UGN5

Chain	Residue	Details
A	GLY202
A	ILE211
A	ILE218
A	ALA244
B	GLY202
B	ILE211
B	ILE218
B	ALA244

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site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	ASP122
B	ASP122

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site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	LYS126
B	LYS126

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site_id	SWS_FT_FI5
Number of Residues	4
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447, ECO:0007744|PubMed:28112733

Chain	Residue	Details
A	PRO88
B	PRO88

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1a26

Chain	Residue	Details
A	TYR246
A	GLU327

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site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1a26

Chain	Residue	Details
B	TYR246
B	GLU327

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