4BJO

Nitrate in the active site of PTP1b is a putative mimetic of the transition state

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004725	molecular_function	protein tyrosine phosphatase activity
A	0006470	biological_process	protein dephosphorylation
A	0016311	biological_process	dephosphorylation
B	0004725	molecular_function	protein tyrosine phosphatase activity
B	0006470	biological_process	protein dephosphorylation
B	0016311	biological_process	dephosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1281

Chain	Residue
A	GLU76
A	ALA77

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1282

Chain	Residue
A	ARG45
A	PRO89

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 1283

Chain	Residue
A	GLU130
A	HOH2051
A	HOH2069
A	HOH2070
A	HOH2071

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE NO3 A 1284

Chain	Residue
A	ASP181
A	CYS215
A	SER216
A	ALA217
A	GLY218
A	ILE219
A	GLY220
A	ARG221
A	HOH2061
B	TYR-3

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1285

Chain	Residue
A	GLU129
A	ILE145
A	SER146
A	GLU147
B	HOH2023

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A 1286

Chain	Residue
A	HIS54
B	GLU130

---

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 1280

Chain	Residue
B	ARG45

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 1281

Chain	Residue
B	GLU76
B	ALA77

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 B 1283

Chain	Residue
A	TYR-3
B	CYS215
B	SER216
B	ALA217
B	ILE219
B	GLY220
B	ARG221

---

Functional Information from PROSITE/UniProt

site_id	PS00383
Number of Residues	11
Details	TYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. VHCsaGigRSG

Chain	Residue	Details
A	VAL213-GLY223

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Phosphocysteine intermediate

Chain	Residue	Details
A	CYS215
B	CYS215

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING:

Chain	Residue	Details
A	ASP181
B	ASP181

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	CYS215
A	GLN262
B	CYS215
B	GLN262

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455

Chain	Residue	Details
A	TYR20
B	TYR20

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine; by PKB/AKT1, CLK1 and CLK2 => ECO:0000269|PubMed:10480872, ECO:0000269|PubMed:11579209, ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER50
B	SER50

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by EGFR => ECO:0000269|PubMed:9355745

Chain	Residue	Details
A	TYR66
B	TYR66

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: S-nitrosocysteine; in reversibly inhibited form => ECO:0000269|PubMed:22169477

Chain	Residue	Details
A	CYS215
B	CYS215

---

site_id	SWS_FT_FI8
Number of Residues	4
Details	MOD_RES: Phosphoserine; by CLK1 and CLK2 => ECO:0000269|PubMed:10480872

Chain	Residue	Details
A	SER242
A	SER243
B	SER242
B	SER243

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	CROSSLNK: N,N-(cysteine-1,S-diyl)serine (Cys-Ser); in inhibited form => ECO:0000269|PubMed:12802338, ECO:0000269|PubMed:12802339

Chain	Residue	Details
A	CYS215
A	SER216
B	CYS215
B	SER216

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 469

Chain	Residue	Details
A	ASP181	proton shuttle (general acid/base)
A	CYS215	covalent catalysis
A	ARG221	activator, electrostatic stabiliser
A	SER222	activator, electrostatic stabiliser
A	GLN262	steric role

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 469

Chain	Residue	Details
B	ASP181	proton shuttle (general acid/base)
B	CYS215	covalent catalysis
B	ARG221	activator, electrostatic stabiliser
B	SER222	activator, electrostatic stabiliser
B	GLN262	steric role

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