5KPO

Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione 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	8
Details	binding site for residue 6WY A 1101

Chain	Residue
A	HIS862
A	GLY863
A	ARG878
A	GLY894
A	ILE895
A	TYR896
A	SER904
A	TYR907

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site_id	AC2
Number of Residues	12
Details	binding site for residue 6WY B 1101

Chain	Residue
B	ASP770
B	HIS862
B	GLY863
B	LEU877
B	ARG878
B	GLY894
B	ILE895
B	TYR896
B	PHE897
B	SER904
B	TYR907
B	ASP766

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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	GLU988
B	GLU988

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

Chain	Residue	Details
A	HIS862
A	GLY871
A	ARG878
A	SER904
B	HIS862
B	GLY871
B	ARG878
B	SER904

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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	SER782
B	SER782

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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	SER786
B	SER786

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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	LYS748
B	LYS748

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