5N9T

Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004843	molecular_function	cysteine-type deubiquitinase activity
A	0016579	biological_process	protein deubiquitination
B	0004843	molecular_function	cysteine-type deubiquitinase activity
B	0016579	biological_process	protein deubiquitination

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	binding site for residue SO4 A 1001

Chain	Residue
A	GLN219
A	ARG262
A	GLY275
A	THR276
A	LYS277
A	LYS278
A	HOH1104
A	HOH1109
A	HOH1309

---

site_id	AC2
Number of Residues	4
Details	binding site for residue GOL A 1002

Chain	Residue
A	ARG340
A	LYS394
A	GLN438
B	LYS439

---

site_id	AC3
Number of Residues	7
Details	binding site for residue GOL A 1003

Chain	Residue
A	SER330
A	ILE332
A	SER341
A	ASP342
A	ARG343
A	HOH1106
A	HOH1195

---

site_id	AC4
Number of Residues	4
Details	binding site for residue GOL A 1004

Chain	Residue
A	ASP295
A	PHE409
A	HOH1107
A	HOH1112

---

site_id	AC5
Number of Residues	17
Details	binding site for residue 8QQ A 1005

Chain	Residue
A	TYR224
A	ASP295
A	VAL296
A	GLN297
A	GLN351
A	LEU406
A	MET407
A	ARG408
A	PHE409
A	HIS456
A	ASP459
A	ASN460
A	HIS461
A	TYR465
A	TYR514
A	HOH1276
A	HOH1357

---

site_id	AC6
Number of Residues	6
Details	binding site for residue SO4 B 1001

Chain	Residue
B	GLY275
B	THR276
B	LYS277
B	LYS278
B	HOH1103
B	HOH1168

---

site_id	AC7
Number of Residues	5
Details	binding site for residue SO4 B 1002

Chain	Residue
B	THR489
B	LYS490
B	HOH1113
B	HOH1121
B	HOH1215

---

site_id	AC8
Number of Residues	18
Details	binding site for residue 8QQ B 1003

Chain	Residue
B	TYR224
B	ASP295
B	VAL296
B	GLN297
B	GLN351
B	LEU406
B	MET407
B	ARG408
B	PHE409
B	LYS420
B	HIS456
B	ASP459
B	ASN460
B	HIS461
B	TYR465
B	TYR514
B	HOH1373
B	HOH1374

---

Functional Information from PROSITE/UniProt

site_id	PS00972
Number of Residues	16
Details	USP_1 Ubiquitin specific protease (USP) domain signature 1. GLknqGAtCYMNSlLQ

Chain	Residue	Details
A	GLY215-GLN230

---

site_id	PS00973
Number of Residues	18
Details	USP_2 Ubiquitin specific protease (USP) domain signature 2. YiLhAVlvHsGdnhg..GHY

Chain	Residue	Details
A	TYR448-TYR465

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	614
Details	Domain: {"description":"USP"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"12507430","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25944111","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11923872","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"15053880","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16964248","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"18716620","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21745816","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"22411829","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"12507430","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 789

Chain	Residue	Details
A	ASN218	electrostatic stabiliser
A	CYS223	nucleofuge, nucleophile, proton acceptor, proton donor
A	HIS464	proton acceptor, proton donor
A	ASP481	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 789

Chain	Residue	Details
B	ASN218	electrostatic stabiliser
B	CYS223	nucleofuge, nucleophile, proton acceptor, proton donor
B	HIS464	proton acceptor, proton donor
B	ASP481	electrostatic stabiliser

---