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4J9H

Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8

Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 E 201
ChainResidue
AHOH243
EGLU86
ELYS87
ELYS105
EHOH338

site_idAC2
Number of Residues26
DetailsBINDING SITE FOR CHAIN G OF P7
ChainResidue
AASN94
AGLU98
ATRP99
AASN106
ATRP110
AASN114
ATYR115
AHOH221
AHOH241
AHOH263
BLYS84
BHOH229
DPRO118
GHOH102
GHOH103
GHOH104
GHOH105
GHOH106
GHOH108
GHOH109
GHOH110
HPRO10
ATYR70
ASER75
AASP77
ATHR79

site_idAC3
Number of Residues27
DetailsBINDING SITE FOR CHAIN H OF P7
ChainResidue
ATYR70
AHOH219
BTYR70
BSER75
BASN78
BTHR79
BASN94
BGLU98
BTRP99
BLYS105
BTRP110
BASN114
BTYR115
BHOH213
BHOH220
GPRO10
HHOH101
HHOH102
HHOH103
HHOH104
HHOH105
HHOH107
HHOH112
HHOH113
HHOH116
HHOH117
HHOH118

site_idAC4
Number of Residues24
DetailsBINDING SITE FOR CHAIN I OF P7
ChainResidue
EHOH301
EHOH316
FTYR70
FSER75
FASN78
FTHR79
FASN94
FGLU98
FTRP99
FLYS105
FASN106
FTRP110
FTYR115
FHOH203
FHOH207
FHOH251
IHOH101
IHOH102
IHOH103
IHOH104
IHOH106
IHOH108
IHOH109
IHOH110

site_idAC5
Number of Residues26
DetailsBINDING SITE FOR CHAIN J OF P7
ChainResidue
EHOH355
FTYR70
FLYS84
JHOH101
JHOH103
JHOH104
JHOH105
JHOH107
JHOH109
CTHR117
CPRO118
CHOH220
ESER75
EASP77
ETHR79
EASN94
EGLU98
ETRP99
EASN106
ETRP110
EASN114
ETYR115
EHOH302
EHOH315
EHOH324
EHOH335

site_idAC6
Number of Residues20
DetailsBINDING SITE FOR CHAIN K OF P7
ChainResidue
DTYR70
DSER75
DASP77
DASN78
DTHR79
DASN94
DGLU98
DTRP99
DASN106
DTRP110
DASN114
DTYR115
DHOH207
DHOH254
KHOH101
KHOH102
KHOH103
KHOH104
KHOH106
KHOH109

site_idAC7
Number of Residues20
DetailsBINDING SITE FOR CHAIN L OF P7
ChainResidue
CTYR70
CSER75
CGLY76
CASP77
CASN78
CTHR79
CASN94
CGLU98
CTRP99
CLYS105
CASN106
CTRP110
CASN114
CTYR115
CHOH205
CHOH216
DHOH232
LHOH101
LHOH102
LHOH103

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:16912036, ECO:0000269|PubMed:18775435
ChainResidueDetails
ATYR70
BTYR70
CTYR70
DTYR70
ETYR70
FTYR70

site_idSWS_FT_FI2
Number of Residues6
DetailsMOD_RES: Phosphotyrosine => ECO:0000269|PubMed:16912036
ChainResidueDetails
ATYR115
BTYR115
CTYR115
DTYR115
ETYR115
FTYR115

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PDB entries from 2024-07-31

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