6GHK

Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue EZ2 A 1101

Chain	Residue
A	TYR710
A	GLY894
A	TYR896
A	PHE897
A	SER904
A	TYR907
A	GLU988
A	HOH1211
A	HOH1274
A	HOH1281
A	ASP766
A	LEU769
A	HIS862
A	GLY863
A	ARG878
A	ILE879
A	ALA880
A	TYR889

---

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

Chain	Residue
A	SER702
A	LYS703
A	ARG704
A	HOH1258
A	HOH1294
B	LYS798
B	GLN875

---

site_id	AC3
Number of Residues	7
Details	binding site for residue SO4 A 1103

Chain	Residue
A	ARG865
A	ASN906
A	HIS909
A	HOH1206
A	HOH1224
B	ALA1012
B	HIS1013

---

site_id	AC4
Number of Residues	7
Details	binding site for residue SO4 A 1104

Chain	Residue
A	ALA1012
A	HIS1013
A	HOH1239
B	ARG865
B	ASN906
B	HIS909
B	HOH1222

---

site_id	AC5
Number of Residues	7
Details	binding site for residue SO4 A 1105

Chain	Residue
A	LYS903
A	LEU984
A	LEU985
A	TYR986
A	HOH1223
B	HIS1014
B	HIS1016

---

site_id	AC6
Number of Residues	17
Details	binding site for residue EZ2 B 1101

Chain	Residue
B	TYR710
B	ASP766
B	HIS862
B	GLY863
B	ARG878
B	ALA880
B	PRO881
B	TYR889
B	GLY894
B	TYR896
B	PHE897
B	SER904
B	TYR907
B	GLU988
B	HOH1242
B	HOH1251
B	HOH1263

---

site_id	AC7
Number of Residues	6
Details	binding site for residue SO4 B 1102

Chain	Residue
A	LYS798
A	GLN875
B	SER702
B	LYS703
B	ARG704
B	HOH1236

---

site_id	AC8
Number of Residues	7
Details	binding site for residue SO4 B 1103

Chain	Residue
A	HIS1014
B	LYS903
B	LEU984
B	LEU985
B	TYR986
B	HOH1208
B	HOH1216

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	234
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	2
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	10
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9UGN5","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
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	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
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

---