1EFY

CRYSTAL STRUCTURE OF THE CATALYTIC FRAGMENT OF POLY (ADP-RIBOSE) POLYMERASE COMPLEXED WITH A BENZIMIDAZOLE INHIBITOR

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BZC A 201

Chain	Residue
A	HOH52
A	GLN763
A	HIS862
A	GLY863
A	TYR896
A	PHE897
A	SER904
A	TYR907
A	GLU988

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	117
Details	Domain: {"description":"PARP alpha-helical","evidences":[{"source":"PROSITE-ProRule","id":"PRU00398","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"For poly [ADP-ribose] polymerase activity","evidences":[{"source":"UniProtKB","id":"P09874","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	5
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9UGN5","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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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	TYR907
A	GLU988

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site_id	MCSA1
Number of Residues	3
Details	M-CSA 76

Chain	Residue	Details
A	SER904	electrostatic stabiliser
A	TYR907	electrostatic stabiliser, hydrogen bond donor, van der waals interaction
A	GLU988	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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