5KA1

Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed 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

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	binding site for residue OTA A 301

Chain	Residue
A	TYR46
A	GLY220
A	ARG221
A	GOL309
A	HOH428
A	HOH486
A	HOH487
A	ASP48
A	LYS120
A	ASP181
A	PHE182
A	CYS215
A	SER216
A	ALA217
A	ILE219

---

site_id	AC2
Number of Residues	4
Details	binding site for residue CL A 302

Chain	Residue
A	ARG112
A	VAL113
A	HIS175
A	HOH485

---

site_id	AC3
Number of Residues	3
Details	binding site for residue CL A 303

Chain	Residue
A	ARG45
A	HOH582
A	HOH585

---

site_id	AC4
Number of Residues	6
Details	binding site for residue CL A 304

Chain	Residue
A	TYR20
A	ARG24
A	ARG254
A	GLY259
A	GLN262
A	GOL309

---

site_id	AC5
Number of Residues	5
Details	binding site for residue CL A 305

Chain	Residue
A	ARG238
A	SER243
A	VAL244
A	ASP245
A	GOL311

---

site_id	AC6
Number of Residues	3
Details	binding site for residue TRS A 306

Chain	Residue
A	HIS54
A	HOH483
A	HOH576

---

site_id	AC7
Number of Residues	2
Details	binding site for residue DMS A 307

Chain	Residue
A	ASP29
A	PHE30

---

site_id	AC8
Number of Residues	3
Details	binding site for residue DMS A 308

Chain	Residue
A	PHE196
A	ARG199
A	GLU200

---

site_id	AC9
Number of Residues	7
Details	binding site for residue GOL A 309

Chain	Residue
A	ASP48
A	MET258
A	GLY259
A	GLN262
A	OTA301
A	CL304
A	HOH404

---

site_id	AD1
Number of Residues	4
Details	binding site for residue GOL A 310

Chain	Residue
A	PRO89
A	GLN123
A	MET133
A	HOH468

---

site_id	AD2
Number of Residues	8
Details	binding site for residue GOL A 311

Chain	Residue
A	GLU76
A	ARG238
A	LYS248
A	GLU252
A	CL305
A	HOH445
A	HOH446
A	HOH543

---

site_id	AD3
Number of Residues	5
Details	binding site for residue GOL A 312

Chain	Residue
A	GLN61
A	GLU62
A	ASP63
A	ASN64
A	ASP65

---

site_id	AD4
Number of Residues	7
Details	binding site for residue GOL A 313

Chain	Residue
A	LYS103
A	PRO206
A	GLU207
A	HIS208
A	GLY209
A	HOH495
A	HOH508

---

site_id	AD5
Number of Residues	5
Details	binding site for residue GOL A 314

Chain	Residue
A	PRO31
A	CYS32
A	ARG33
A	LYS36
A	HOH433

---

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	274
Details	Domain: {"description":"Tyrosine-protein phosphatase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00160","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Phosphocysteine intermediate"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	7
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"N-acetylmethionine","evidences":[{"source":"PubMed","id":"2546149","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine; by PKB/AKT1, CLK1 and CLK2","evidences":[{"source":"PubMed","id":"10480872","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11579209","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine; by EGFR","evidences":[{"source":"PubMed","id":"9355745","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	Modified residue: {"description":"S-nitrosocysteine; in reversibly inhibited form","evidences":[{"source":"PubMed","id":"22169477","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine; by CLK1 and CLK2","evidences":[{"source":"PubMed","id":"10480872","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	2
Details	Cross-link: {"description":"N,N-(cysteine-1,S-diyl)serine (Cys-Ser); in inhibited form","evidences":[{"source":"PubMed","id":"12802338","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12802339","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

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

---