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+ ADP-ribosyltransferase activity
B	0003950	molecular_function	NAD+ ADP-ribosyltransferase activity
C	0003950	molecular_function	NAD+ ADP-ribosyltransferase activity
D	0003950	molecular_function	NAD+ 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	4
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
C	GLU988
D	GLU988

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	BINDING: BINDING => ECO:0000250|UniProtKB:Q9UGN5

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

---

site_id	SWS_FT_FI3
Number of Residues	4
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
C	SER782
D	SER782

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER786
B	SER786
C	SER786
D	SER786

---

site_id	SWS_FT_FI5
Number of Residues	8
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
C	LYS748
D	LYS748

---