3H61

Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with norcantharidin (which is present in the structure in the hydrolyzed form)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	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 500

Chain	Residue
A	ENL0
A	ASP271
A	ASN303
A	HIS352
A	HIS427
A	MN501

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN A 501

Chain	Residue
A	ASP271
A	MN500
A	ENL0
A	ASP242
A	HIS244

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ENL A 0

Chain	Residue
A	ASP242
A	HIS244
A	ASP271
A	ARG275
A	ASN303
A	HIS304
A	HIS352
A	ARG400
A	HIS427
A	VAL429
A	PHE446
A	TYR451
A	MN500
A	MN501
A	HOH600
A	HOH614

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN D 500

Chain	Residue
D	ENL0
D	ASP271
D	ASN303
D	HIS352
D	HIS427
D	MN501

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN D 501

Chain	Residue
D	ENL0
D	ASP242
D	HIS244
D	ASP271
D	MN500

---

site_id	AC6
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ENL D 0

Chain	Residue
D	ASP242
D	HIS244
D	ASP271
D	ARG275
D	ASN303
D	HIS304
D	HIS352
D	ARG400
D	HIS427
D	VAL429
D	PHE446
D	TYR451
D	MN500
D	MN501
D	HOH530

---

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	2
Details	ACT_SITE: Proton donor/acceptor => ECO:0000269|PubMed:15155720

Chain	Residue	Details
A	HIS304
D	HIS304

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:15155720, ECO:0000269|PubMed:15577939, ECO:0000269|PubMed:19601647, ECO:0007744|PDB:1S95, ECO:0007744|PDB:1WAO, ECO:0007744|PDB:3H60, ECO:0007744|PDB:3H61, ECO:0007744|PDB:3H62, ECO:0007744|PDB:3H63, ECO:0007744|PDB:3H64

Chain	Residue	Details
A	ASP242
A	ASN303
A	HIS352
D	ASP242
D	ASP271
D	ASN303
D	HIS352
A	ASP271

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:15155720

Chain	Residue	Details
A	HIS244
A	ARG400
A	HIS427
D	HIS244
D	ARG275
D	ARG400
D	HIS427
A	ARG275

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	10
Details	M-CSA 472

Chain	Residue	Details
A	ASP242	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
A	HIS427	activator, metal ligand

---

site_id	MCSA2
Number of Residues	10
Details	M-CSA 472

Chain	Residue	Details
D	ASP242	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
D	HIS427	activator, metal ligand

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