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2BKK

Crystal structure of Aminoglycoside Phosphotransferase APH(3')-IIIa in complex with the inhibitor AR_3a

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0005524molecular_functionATP binding
A0008910molecular_functionkanamycin kinase activity
A0016301molecular_functionkinase activity
A0016310biological_processphosphorylation
A0016740molecular_functiontransferase activity
A0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
A0046677biological_processresponse to antibiotic
C0000166molecular_functionnucleotide binding
C0005524molecular_functionATP binding
C0008910molecular_functionkanamycin kinase activity
C0016301molecular_functionkinase activity
C0016310biological_processphosphorylation
C0016740molecular_functiontransferase activity
C0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
C0046677biological_processresponse to antibiotic
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 1266
ChainResidue
AASN195
AASP208
AADP1265
AHOH2114

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 1267
ChainResidue
ASER27
AASP208
AARG211
AADP1265

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG C 1266
ChainResidue
CASP208
CADP1265
CHOH2127
CASN195

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG C 1267
ChainResidue
CMET26
CASP208
CADP1265

site_idAC5
Number of Residues22
DetailsBINDING SITE FOR RESIDUE ADP A 1265
ChainResidue
AASP22
ASER27
ATYR42
ALYS44
APRO74
AMET90
ASER91
AGLU92
AALA93
ASER194
AASN195
APHE197
AILE207
AASP208
AMG1266
AMG1267
AHOH2016
AHOH2110
AHOH2111
AHOH2112
AHOH2113
AHOH2114

site_idAC6
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ADP C 1265
ChainResidue
CASP22
CSER27
CTYR42
CLYS44
CPRO74
CMET90
CSER91
CGLU92
CALA93
CLEU97
CSER194
CPHE197
CILE207
CASP208
CMG1266
CMG1267
CHOH2127
CHOH2128
CHOH2129
CHOH2130

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000250
ChainResidueDetails
AGLY189
CGLY189
AASP190
CASP190

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 640
ChainResidueDetails
ALYS44electrostatic stabiliser, polar interaction
AASP190proton acceptor, proton shuttle (general acid/base)
AASN195metal ligand
AASP208metal ligand

site_idMCSA2
Number of Residues4
DetailsM-CSA 640
ChainResidueDetails
CLYS44electrostatic stabiliser, polar interaction
CASP190proton acceptor, proton shuttle (general acid/base)
CASN195metal ligand
CASP208metal ligand

218853

PDB entries from 2024-04-24

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