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1M40

ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1

Replaces:  1L7U
Functional Information from GO Data
ChainGOidnamespacecontents
A0005515molecular_functionprotein binding
A0008800molecular_functionbeta-lactamase activity
A0016787molecular_functionhydrolase activity
A0017001biological_processantibiotic catabolic process
A0030655biological_processbeta-lactam antibiotic catabolic process
A0046677biological_processresponse to antibiotic
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PO4 A 501
ChainResidue
ALYS55
ALYS215
AHOH1127
AHOH1266
AHOH1396
AHOH1529
AHOH1539

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
AHOH1485
AHOH1524
AHOH1537
AARG161
AHOH1392

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PO4 A 503
ChainResidue
ATHR271
AASP273
AGLU274
AARG277
AHOH1189
AHOH1313
AHOH1445
AHOH1511
AHOH1518
AHOH1521

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE K A 1000
ChainResidue
ALEU57
AGLU58
AASN100
AHOH1088
AHOH1161
AHOH1182
AHOH1183
AHOH1220
AHOH1254

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE K A 1001
ChainResidue
ATYR97
ALEU113
AHOH1098
AHOH1146
AHOH1148
AHOH1192
AHOH1202
AHOH1203
AHOH1556

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE K A 1002
ChainResidue
AGLU240
ACB4300
AHOH1019
AHOH1054
AHOH1075
AHOH1085
AHOH1184
AHOH1241
AHOH1554

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K A 1003
ChainResidue
AMET211
AALA213
AASP214
AASP233
AHOH1421

site_idAC8
Number of Residues21
DetailsBINDING SITE FOR RESIDUE CB4 A 300
ChainResidue
AMET69
ASER70
ATYR105
ASER130
AASN132
AGLY236
AALA237
AGLY238
AGLU240
AK1002
AHOH1038
AHOH1068
AHOH1076
AHOH1129
AHOH1138
AHOH1141
AHOH1144
AHOH1253
AHOH1270
AHOH1271
AHOH1276

Functional Information from PROSITE/UniProt
site_idPS00146
Number of Residues16
DetailsBETA_LACTAMASE_A Beta-lactamase class-A active site. FpMMSTfKvllCGAVL
ChainResidueDetails
APHE66-LEU81

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Acyl-ester intermediate
ChainResidueDetails
ASER70

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AGLU168

site_idSWS_FT_FI3
Number of Residues1
DetailsBINDING:
ChainResidueDetails
ALYS234

Catalytic Information from CSA
site_idMCSA1
Number of Residues6
DetailsM-CSA 2
ChainResidueDetails
ASER70electrostatic stabiliser
ALYS73hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ASER130activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
AGLU166activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ALYS234electrostatic stabiliser
AALA237electrostatic stabiliser, hydrogen bond donor

218853

數據於2024-04-24公開中

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