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6MD7

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7

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 JE1 A 601
ChainResidue
ATHR108
ALEU254
AGLN257
AASP489
ALYS492
AGLN495
AHOH838
AHOH951
AGLU110
AARG111
APHE113
AHIS114
ATHR218
ATHR219
AGLU250
ATHR253

site_idAC2
Number of Residues5
Detailsbinding site for residue PO4 A 602
ChainResidue
AARG32
ASER34
ALYS35
ASER36
ATHR42

site_idAC3
Number of Residues8
Detailsbinding site for residue PO4 A 603
ChainResidue
AGLU195
ALYS198
AGLN257
ALYS260
AHOH717
AHOH751
AHOH783
AHOH857

site_idAC4
Number of Residues7
Detailsbinding site for residue PO4 A 604
ChainResidue
ALYS131
AASN217
AARG220
ALYS492
AHOH807
AHOH815
AHOH878

site_idAC5
Number of Residues5
Detailsbinding site for residue PO4 A 605
ChainResidue
APHE346
AGLN347
AASN349
AARG413
AHOH799

site_idAC6
Number of Residues6
Detailsbinding site for residue PO4 A 606
ChainResidue
ATYR62
ALYS70
ATYR279
ALYS364
ALYS366
AHOH848

site_idAC7
Number of Residues4
Detailsbinding site for residue PO4 A 607
ChainResidue
AARG138
ASER140
AGLN141
ASER142

site_idAC8
Number of Residues17
Detailsbinding site for residue JE1 B 601
ChainResidue
BTHR108
BGLU110
BARG111
BPHE113
BTHR218
BTHR219
BGLU250
BTHR253
BLEU254
BGLN257
BASP489
BPRO491
BLYS492
BGLN495
BHOH806
BHOH836
BHOH842

site_idAC9
Number of Residues6
Detailsbinding site for residue PO4 B 602
ChainResidue
BARG32
BSER34
BLYS35
BSER36
BTHR42
BHOH751

site_idAD1
Number of Residues9
Detailsbinding site for residue PO4 B 603
ChainResidue
BARG111
BGLU195
BLYS198
BGLN257
BLYS260
BHOH720
BHOH734
BHOH738
BHOH850

site_idAD2
Number of Residues5
Detailsbinding site for residue PO4 B 604
ChainResidue
BLYS131
BASN217
BARG220
BHOH777
BHOH862

site_idAD3
Number of Residues5
Detailsbinding site for residue PO4 B 605
ChainResidue
BPHE346
BGLN347
BASN349
BARG413
BHOH825

site_idAD4
Number of Residues4
Detailsbinding site for residue PO4 B 606
ChainResidue
BARG138
BSER140
BGLN141
BSER142

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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