6NRH

Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue KYP A 1101

Chain	Residue
A	HIS862
A	DMS1107
A	HOH1215
A	HOH1264
A	HOH1348
A	HOH1356
A	GLY863
A	ASN868
A	GLY888
A	TYR889
A	TYR896
A	PHE897
A	SER904
A	TYR907

---

site_id	AC2
Number of Residues	7
Details	binding site for residue SO4 A 1102

Chain	Residue
A	LYS766
A	LYS903
A	LEU984
A	LEU985
A	TYR986
A	HOH1233
A	HOH1268

---

site_id	AC3
Number of Residues	6
Details	binding site for residue SO4 A 1103

Chain	Residue
A	ARG806
A	LYS953
A	ASN980
A	ASP981
A	THR982
A	HOH1363

---

site_id	AC4
Number of Residues	5
Details	binding site for residue SO4 A 1104

Chain	Residue
A	LYS849
A	ASN998
A	LYS1000
A	HOH1222
A	HOH1235

---

site_id	AC5
Number of Residues	6
Details	binding site for residue SO4 A 1105

Chain	Residue
A	ARG858
A	MET929
A	LYS949
A	HOH1202
A	HOH1261
A	HOH1366

---

site_id	AC6
Number of Residues	2
Details	binding site for residue SO4 A 1106

Chain	Residue
A	ASN906
A	TYR907

---

site_id	AC7
Number of Residues	7
Details	binding site for residue DMS A 1107

Chain	Residue
A	HIS862
A	ARG878
A	TYR889
A	GLY894
A	ILE895
A	TYR896
A	KYP1101

---

site_id	AC8
Number of Residues	8
Details	binding site for residue DMS A 1108

Chain	Residue
A	LYS798
A	THR799
A	GLU883
A	ALA884
A	PRO885
A	HOH1239
A	HOH1255
A	HOH1270

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
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

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250|UniProtKB:Q9UGN5

Chain	Residue	Details
A	HIS862
A	GLY871
A	ARG878
A	SER904

---