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6BMR

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP244

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 Residues12
Detailsbinding site for residue DZV A 601
ChainResidue
AGLN79
AASN281
ALEU283
AHOH893
ATYR80
AGLU83
AHIS84
ALEU262
ATYR263
ASER264
AARG265
AGLN269

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

site_idAC3
Number of Residues6
Detailsbinding site for residue PO4 A 603
ChainResidue
AASN217
AARG220
ALYS492
AHOH781
AHOH798
AHOH912

site_idAC4
Number of Residues6
Detailsbinding site for residue PO4 A 604
ChainResidue
APHE346
AGLN347
AASN349
AARG413
APO4605
AHOH742

site_idAC5
Number of Residues6
Detailsbinding site for residue PO4 A 605
ChainResidue
AASN410
ATHR411
AGLU412
AARG413
APO4604
AHOH789

site_idAC6
Number of Residues5
Detailsbinding site for residue PO4 A 606
ChainResidue
AARG111
ALYS198
APRO215
ALYS260
AHOH831

site_idAC7
Number of Residues11
Detailsbinding site for residue DZV B 601
ChainResidue
BGLN79
BTYR80
BGLU83
BHIS84
BLEU262
BTYR263
BSER264
BARG265
BGLN269
BASN281
BHOH849

site_idAC8
Number of Residues6
Detailsbinding site for residue PO4 B 602
ChainResidue
BARG32
BSER34
BLYS35
BSER36
BTHR42
BHOH785

site_idAC9
Number of Residues5
Detailsbinding site for residue PO4 B 603
ChainResidue
BPHE346
BGLN347
BASN349
BARG413
BHOH769

site_idAD1
Number of Residues6
Detailsbinding site for residue PO4 B 604
ChainResidue
BALA393
BHIS394
BTYR396
BTHR397
BARG421
BHOH710

site_idAD2
Number of Residues7
Detailsbinding site for residue GOL B 605
ChainResidue
AGLY407
BSER391
BALA392
BALA393
BTYR396
BLEU398
BHOH767

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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