5UI1

Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
B	0016787	molecular_function	hydrolase activity
C	0016787	molecular_function	hydrolase activity
D	0016787	molecular_function	hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue MN A 501

Chain	Residue
A	ASP271
A	ASN303
A	HIS352
A	HIS427
A	MN502
A	8D4503

---

site_id	AC2
Number of Residues	7
Details	binding site for residue MN A 502

Chain	Residue
A	HIS427
A	MN501
A	8D4503
A	HOH656
A	ASP242
A	HIS244
A	ASP271

---

site_id	AC3
Number of Residues	13
Details	binding site for residue 8D4 A 503

Chain	Residue
A	HIS244
A	ASP271
A	ARG275
A	ASN303
A	HIS304
A	MET309
A	TYR313
A	ARG400
A	HIS427
A	TYR451
A	MN501
A	MN502
A	HOH656

---

site_id	AC4
Number of Residues	7
Details	binding site for residue MN B 501

Chain	Residue
B	ASP242
B	HIS244
B	ASP271
B	HIS427
B	MN502
B	8D4503
B	HOH622

---

site_id	AC5
Number of Residues	6
Details	binding site for residue MN B 502

Chain	Residue
B	ASP271
B	ASN303
B	HIS352
B	HIS427
B	MN501
B	8D4503

---

site_id	AC6
Number of Residues	13
Details	binding site for residue 8D4 B 503

Chain	Residue
B	HIS244
B	ASP271
B	ARG275
B	ASN303
B	HIS304
B	MET309
B	TYR313
B	ARG400
B	HIS427
B	TYR451
B	MN501
B	MN502
B	HOH622

---

site_id	AC7
Number of Residues	7
Details	binding site for residue MN C 501

Chain	Residue
C	ASP242
C	HIS244
C	ASP271
C	HIS427
C	MN502
C	8D4503
C	HOH632

---

site_id	AC8
Number of Residues	6
Details	binding site for residue MN C 502

Chain	Residue
C	ASP271
C	ASN303
C	HIS352
C	HIS427
C	MN501
C	8D4503

---

site_id	AC9
Number of Residues	13
Details	binding site for residue 8D4 C 503

Chain	Residue
C	HIS244
C	ASP271
C	ARG275
C	ASN303
C	HIS304
C	MET309
C	TYR313
C	ARG400
C	HIS427
C	TYR451
C	MN501
C	MN502
C	HOH632

---

site_id	AD1
Number of Residues	7
Details	binding site for residue MN D 501

Chain	Residue
D	ASP242
D	HIS244
D	ASP271
D	HIS427
D	MN502
D	8D4503
D	HOH606

---

site_id	AD2
Number of Residues	6
Details	binding site for residue MN D 502

Chain	Residue
D	ASP271
D	ASN303
D	HIS352
D	HIS427
D	MN501
D	8D4503

---

site_id	AD3
Number of Residues	13
Details	binding site for residue 8D4 D 503

Chain	Residue
D	HIS427
D	TYR451
D	MN501
D	MN502
D	HOH606
D	HIS244
D	ASP271
D	ARG275
D	ASN303
D	HIS304
D	MET309
D	TYR313
D	ARG400

---

Functional Information from PROSITE/UniProt

site_id	PS00125
Number of Residues	6
Details	SER_THR_PHOSPHATASE Serine/threonine specific protein phosphatases signature. LRGNHE

Chain	Residue	Details
A	LEU300-GLU305

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"15155720","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15155720","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15577939","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19601647","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1S95","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1WAO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3H60","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3H61","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3H62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3H63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3H64","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15155720","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	10
Details	M-CSA 472

Chain	Residue	Details
A	ASP242	metal ligand
A	HIS427	activator, metal ligand
A	HIS244	metal ligand
A	ASP271	metal ligand
A	ASP274	activator, proton donor
A	ARG275	transition state stabiliser
A	ASN303	metal ligand, transition state stabiliser
A	HIS304	proton acceptor, proton donor, proton relay
A	HIS352	metal ligand
A	ARG400	transition state stabiliser

---

site_id	MCSA2
Number of Residues	10
Details	M-CSA 472

Chain	Residue	Details
B	ASP242	metal ligand
B	HIS427	activator, metal ligand
B	HIS244	metal ligand
B	ASP271	metal ligand
B	ASP274	activator, proton donor
B	ARG275	transition state stabiliser
B	ASN303	metal ligand, transition state stabiliser
B	HIS304	proton acceptor, proton donor, proton relay
B	HIS352	metal ligand
B	ARG400	transition state stabiliser

---

site_id	MCSA3
Number of Residues	10
Details	M-CSA 472

Chain	Residue	Details
C	ASP242	metal ligand
C	HIS427	activator, metal ligand
C	HIS244	metal ligand
C	ASP271	metal ligand
C	ASP274	activator, proton donor
C	ARG275	transition state stabiliser
C	ASN303	metal ligand, transition state stabiliser
C	HIS304	proton acceptor, proton donor, proton relay
C	HIS352	metal ligand
C	ARG400	transition state stabiliser

---

site_id	MCSA4
Number of Residues	10
Details	M-CSA 472

Chain	Residue	Details
D	ASP242	metal ligand
D	HIS427	activator, metal ligand
D	HIS244	metal ligand
D	ASP271	metal ligand
D	ASP274	activator, proton donor
D	ARG275	transition state stabiliser
D	ASN303	metal ligand, transition state stabiliser
D	HIS304	proton acceptor, proton donor, proton relay
D	HIS352	metal ligand
D	ARG400	transition state stabiliser

---