9FIO

Structure-guided discovery of selective USP7 inhibitors with in vivo activity

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 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	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_FI2
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

---