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2FJM

The structure of phosphotyrosine phosphatase 1B in complex with compound 2

Functional Information from GO Data
ChainGOidnamespacecontents
A0004725molecular_functionprotein tyrosine phosphatase activity
A0006470biological_processprotein dephosphorylation
A0016311biological_processdephosphorylation
B0004725molecular_functionprotein tyrosine phosphatase activity
B0006470biological_processprotein dephosphorylation
B0016311biological_processdephosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 799
ChainResidue
BARG524
BARG754
BGLN762
B073801

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 799
ChainResidue
AARG524
AARG754
AGLN762
BARG524

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 800
ChainResidue
BHOH850
BHOH857
BHOH873
BHOH914
BHOH945
BHIS554

site_idAC4
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 073 A 800
ChainResidue
ATYR546
AARG547
AASP548
AVAL549
AASP681
APHE682
ACYS715
ASER716
AALA717
AGLY718
AILE719
AGLY720
AARG721
AMET758
AGLN762
AHOH802
BALA518
BASP522
BHIS525

site_idAC5
Number of Residues21
DetailsBINDING SITE FOR RESIDUE 073 B 801
ChainResidue
AALA518
AASP522
AHIS525
AGLU526
BTYR546
BARG547
BASP548
BVAL549
BASP681
BPHE682
BCYS715
BSER716
BALA717
BGLY718
BILE719
BGLY720
BARG721
BMET758
BGLN762
BCL799
BHOH804

Functional Information from PROSITE/UniProt
site_idPS00383
Number of Residues11
DetailsTYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. VHCsaGigRSG
ChainResidueDetails
AVAL713-GLY723

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Phosphocysteine intermediate
ChainResidueDetails
ACYS715
BCYS715

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING:
ChainResidueDetails
AASP681
BASP681

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ACYS715
AGLN762
BCYS715
BGLN762

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N-acetylmethionine => ECO:0000269|PubMed:2546149
ChainResidueDetails
AMET501
BMET501

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455
ChainResidueDetails
ATYR520
BTYR520

site_idSWS_FT_FI6
Number of Residues2
DetailsMOD_RES: Phosphoserine; by PKB/AKT1, CLK1 and CLK2 => ECO:0000269|PubMed:10480872, ECO:0000269|PubMed:11579209, ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER550
BSER550

site_idSWS_FT_FI7
Number of Residues2
DetailsMOD_RES: Phosphotyrosine; by EGFR => ECO:0000269|PubMed:9355745
ChainResidueDetails
ATYR566
BTYR566

site_idSWS_FT_FI8
Number of Residues2
DetailsMOD_RES: S-nitrosocysteine; in reversibly inhibited form => ECO:0000269|PubMed:22169477
ChainResidueDetails
ACYS715
BCYS715

site_idSWS_FT_FI9
Number of Residues4
DetailsMOD_RES: Phosphoserine; by CLK1 and CLK2 => ECO:0000269|PubMed:10480872
ChainResidueDetails
ASER742
ASER743
BSER742
BSER743

site_idSWS_FT_FI10
Number of Residues4
DetailsCROSSLNK: N,N-(cysteine-1,S-diyl)serine (Cys-Ser); in inhibited form => ECO:0000269|PubMed:12802338, ECO:0000269|PubMed:12802339
ChainResidueDetails
ACYS715
ASER716
BCYS715
BSER716

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1d5r
ChainResidueDetails
AARG721
ACYS715
AASP681

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1d5r
ChainResidueDetails
BARG721
BCYS715
BASP681

site_idCSA3
Number of Residues4
DetailsAnnotated By Reference To The Literature 1d5r
ChainResidueDetails
AARG721
ASER722
ACYS715
AASP681

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1d5r
ChainResidueDetails
BARG721
BSER722
BCYS715
BASP681

site_idMCSA1
Number of Residues5
DetailsM-CSA 469
ChainResidueDetails
AASP681proton shuttle (general acid/base)
ACYS715covalent catalysis
AARG721activator, electrostatic stabiliser
ASER722activator, electrostatic stabiliser
AGLN762steric role

site_idMCSA2
Number of Residues5
DetailsM-CSA 469
ChainResidueDetails
BASP681proton shuttle (general acid/base)
BCYS715covalent catalysis
BARG721activator, electrostatic stabiliser
BSER722activator, electrostatic stabiliser
BGLN762steric role

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PDB entries from 2024-07-24

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