4RV6

Human ARTD1 (PARP1) catalytic domain in complex with inhibitor Rucaparib

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1101

Chain	Residue
A	SER702
A	LYS703
A	ARG704
A	GLU772
D	LYS798
D	GLN875

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1102

Chain	Residue
A	TYR986
A	LYS903
A	LEU984
A	LEU985

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE RPB A 1103

Chain	Residue
A	GLN759
A	GLU763
A	HIS862
A	GLY863
A	TYR896
A	PHE897
A	ALA898
A	SER904
A	TYR907
A	GLU988

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 1101

Chain	Residue
B	SER702
B	LYS703
B	ARG704
C	LYS798
C	GLN875

---

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	11
Details	BINDING SITE FOR RESIDUE RPB B 1103

Chain	Residue
B	GLU763
B	HIS862
B	GLY863
B	THR887
B	GLY888
B	TYR896
B	PHE897
B	ALA898
B	LYS903
B	SER904
B	TYR907

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 1101

Chain	Residue
B	LYS798
B	GLN875
C	SER702
C	LYS703
C	ARG704

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 1101

Chain	Residue
A	LYS798
A	GLN875
D	SER702
D	LYS703
D	ARG704

---

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

---