6VKQ

Crystal Structure of human PARP-1 CAT domain bound to inhibitor EB-47

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	18
Details	binding site for residue UHB A 2001

Chain	Residue
A	ASP766
A	GLY876
A	LEU877
A	ARG878
A	TYR889
A	TYR896
A	PHE897
A	SER904
A	TYR907
A	GLU988
A	LEU769
A	ASP770
A	HIS862
A	GLY863
A	SER864
A	ASN868
A	ILE872
A	GLN875

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 2002

Chain	Residue
A	LYS903
A	LEU985
A	TYR986
A	GLU988

---

site_id	AC3
Number of Residues	2
Details	binding site for residue SO4 A 2003

Chain	Residue
A	ARG858
A	MET929

---

site_id	AC4
Number of Residues	6
Details	binding site for residue SO4 A 2004

Chain	Residue
A	LYS838
A	GLN846
A	LYS849
A	ASP965
A	LYS1000
B	LYS943

---

site_id	AC5
Number of Residues	17
Details	binding site for residue UHB B 2001

Chain	Residue
B	ASP766
B	LEU769
B	ASP770
B	HIS862
B	GLY863
B	SER864
B	ASN868
B	ILE872
B	GLN875
B	GLY876
B	LEU877
B	ARG878
B	TYR889
B	TYR896
B	SER904
B	TYR907
B	GLU988

---

site_id	AC6
Number of Residues	4
Details	binding site for residue SO4 B 2002

Chain	Residue
B	LYS903
B	LEU985
B	TYR986
B	GLU988

---

site_id	AC7
Number of Residues	2
Details	binding site for residue SO4 B 2003

Chain	Residue
B	ARG858
B	LYS949

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 B 2004

Chain	Residue
A	LYS943
B	GLN846
B	LYS849

---

site_id	AC9
Number of Residues	15
Details	binding site for residue UHB C 2001

Chain	Residue
C	ASP766
C	LEU769
C	HIS862
C	GLY863
C	SER864
C	ASN868
C	ILE872
C	GLY876
C	LEU877
C	ARG878
C	TYR889
C	TYR896
C	SER904
C	TYR907
C	GLU988

---

site_id	AD1
Number of Residues	4
Details	binding site for residue SO4 C 2002

Chain	Residue
C	LYS903
C	LEU985
C	TYR986
C	GLU988

---

site_id	AD2
Number of Residues	2
Details	binding site for residue SO4 C 2003

Chain	Residue
C	ARG858
C	LYS949

---

site_id	AD3
Number of Residues	2
Details	binding site for residue SO4 C 2004

Chain	Residue
C	GLN846
C	LYS849

---

site_id	AD4
Number of Residues	14
Details	binding site for residue UHB D 2001

Chain	Residue
D	ASP766
D	LEU769
D	HIS862
D	GLY863
D	SER864
D	ASN868
D	ILE872
D	GLY876
D	ARG878
D	TYR889
D	TYR896
D	SER904
D	TYR907
D	GLU988

---

site_id	AD5
Number of Residues	4
Details	binding site for residue SO4 D 2002

Chain	Residue
D	LYS903
D	LEU985
D	TYR986
D	GLU988

---

site_id	AD6
Number of Residues	3
Details	binding site for residue SO4 D 2003

Chain	Residue
D	LYS949
D	ARG858
D	MET929

---

site_id	AD7
Number of Residues	1
Details	binding site for residue SO4 D 2004

Chain	Residue
D	LYS849

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
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_FI2
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9UGN5","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
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

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