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6BMW

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504

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 Residues16
Detailsbinding site for residue 5OD A 601
ChainResidue
ATHR108
ATHR253
ALEU254
AGLN257
APRO491
ALYS492
AGLN495
AHOH843
AGLU110
AARG111
APHE113
AHIS114
ATHR218
ATHR219
AGLU249
AGLU250

site_idAC2
Number of Residues12
Detailsbinding site for residue DZS A 602
ChainResidue
AGLN79
ATYR80
AGLU83
AHIS84
ALEU262
ATYR263
ASER264
AARG265
ALYS266
AGLN269
AASN281
AHOH810

site_idAC3
Number of Residues5
Detailsbinding site for residue PO4 A 603
ChainResidue
AARG111
AGLU195
AGLN257
ALYS260
AHOH724

site_idAC4
Number of Residues4
Detailsbinding site for residue PO4 A 604
ChainResidue
AARG32
ASER34
ALYS35
ATHR42

site_idAC5
Number of Residues16
Detailsbinding site for residue 5OD B 601
ChainResidue
BTHR108
BGLU110
BARG111
BPHE113
BTHR218
BTHR219
BGLU249
BGLU250
BTHR253
BLEU254
BGLN257
BPRO491
BLYS492
BGLN495
BHOH812
BHOH815

site_idAC6
Number of Residues13
Detailsbinding site for residue DZS B 602
ChainResidue
BGLN79
BTYR80
BGLU83
BHIS84
BLEU262
BTYR263
BSER264
BARG265
BLYS266
BGLN269
BASN281
BLEU283
BHOH744

site_idAC7
Number of Residues6
Detailsbinding site for residue PO4 B 603
ChainResidue
BARG32
BSER34
BLYS35
BSER36
BTHR42
BHOH765

site_idAC8
Number of Residues3
Detailsbinding site for residue PO4 B 604
ChainResidue
BPHE346
BASN349
BARG413

site_idAC9
Number of Residues7
Detailsbinding site for residue GOL B 605
ChainResidue
AGLY407
BSER391
BALA392
BALA393
BTYR396
BLEU398
BHOH707

Functional Information from PROSITE/UniProt
site_idPS00383
Number of Residues11
DetailsTYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. VHCsaGigRTG
ChainResidueDetails
AVAL457-GLY467

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Phosphocysteine intermediate
ChainResidueDetails
ACYS459
BCYS459

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
AASP425
ACYS459
AGLN506
BASP425
BCYS459
BGLN506

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: N-acetylthreonine => ECO:0007744|PubMed:19413330
ChainResidueDetails
ATHR2
BTHR2

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:19690332
ChainResidueDetails
ATYR62
BTYR62

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P35235
ChainResidueDetails
ATYR66
BTYR66

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PDB entries from 2024-07-17

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