4R6E

Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 3JD A 1101

Chain	Residue
A	ASP766
A	GOL1103
A	HIS862
A	GLY863
A	GLY888
A	TYR889
A	TYR896
A	PHE897
A	SER904
A	TYR907

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 1102

Chain	Residue
A	LYS903
A	LEU984
A	LEU985
A	TYR986
A	HOH1216

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1103

Chain	Residue
A	HIS862
A	TYR889
A	ILE895
A	TYR896
A	3JD1101
A	HOH1206

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 3JD B 1101

Chain	Residue
B	GLU763
B	ASP766
B	HIS862
B	GLY863
B	GLY888
B	TYR889
B	TYR896
B	PHE897
B	SER904
B	TYR907
B	GOL1103

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 1102

Chain	Residue
B	LYS903
B	LEU984
B	LEU985
B	TYR986

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 1103

Chain	Residue
B	HIS862
B	TYR889
B	GLY894
B	ILE895
B	TYR896
B	3JD1101

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 3JD C 1101

Chain	Residue
C	ASP766
C	HIS862
C	GLY863
C	GLY888
C	TYR889
C	TYR896
C	PHE897
C	SER904
C	TYR907
C	GOL1103

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 1102

Chain	Residue
C	LYS903
C	LEU984
C	LEU985
C	TYR986
C	HOH1232

---

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 1103

Chain	Residue
C	HIS862
C	TYR889
C	GLY894
C	ILE895
C	TYR896
C	3JD1101
C	HOH1209
C	HOH1243

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 3JD D 1101

Chain	Residue
D	ASP766
D	HIS862
D	GLY863
D	GLY888
D	TYR889
D	TYR896
D	PHE897
D	SER904
D	TYR907

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 1102

Chain	Residue
D	LYS903
D	LEU984
D	LEU985
D	TYR986

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	351
Details	Domain: {"description":"PARP alpha-helical","evidences":[{"source":"PROSITE-ProRule","id":"PRU00398","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"For poly [ADP-ribose] polymerase activity","evidences":[{"source":"PubMed","id":"32028527","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"7852410","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9315851","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9UGN5","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	8
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"25218447","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---