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2BG6

Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized.

Functional Information from GO Data
ChainGOidnamespacecontents
A0008270molecular_functionzinc ion binding
A0008800molecular_functionbeta-lactamase activity
A0016787molecular_functionhydrolase activity
A0017001biological_processantibiotic catabolic process
A0042597cellular_componentperiplasmic space
A0046677biological_processresponse to antibiotic
A0046872molecular_functionmetal ion binding
B0008270molecular_functionzinc ion binding
B0008800molecular_functionbeta-lactamase activity
B0016787molecular_functionhydrolase activity
B0017001biological_processantibiotic catabolic process
B0042597cellular_componentperiplasmic space
B0046677biological_processresponse to antibiotic
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1301
ChainResidue
AHIS116
AHIS118
AHIS196
AHOH2134

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1302
ChainResidue
AHOH2041
ASER225
ATHR226
ASER227
AGLY264
AGLU265

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 1303
ChainResidue
ALYS93
AGLU97
AARG131
AARG254
AILE256
ALYS280
AHOH2029
AHOH2033
AHOH2136

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1304
ChainResidue
ATHR176
AHOH2137
AHOH2138
BLYS102

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE AZI B 1299
ChainResidue
BHIS196
BCSD221
BLYS224
BASN233
BHOH2159
BHOH2160

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE AZI B 1300
ChainResidue
BASN215
BASN255

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 1301
ChainResidue
BHIS116
BHIS118
BHIS196
BCSD221
BHOH2162

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1302
ChainResidue
BSER225
BTHR226
BSER227
BGLY264
BGLU265
BHOH2145
BHOH2163

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1303
ChainResidue
BLYS181
BLYS186
BARG252
BHOH2164

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1304
ChainResidue
ALYS148
BGLU100
BARG107
BARG131
BHOH2054

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 1305
ChainResidue
ALYS147
BARG107

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 1306
ChainResidue
BLYS129
BGLU168
BGLU169

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1293
ChainResidue
AASP88
AASP89
ALYS90

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1294
ChainResidue
ALYS186
AGLN210
AHOH2130

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1295
ChainResidue
AALA235
AALA237
ATYR238
AGOL1318
BLYS291

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1296
ChainResidue
ASER227
AALA228
ALYS229
AASP230

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1297
ChainResidue
AHIS196
ACSD221
ALYS224
AASN233
BHOH2073

site_idBC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1298
ChainResidue
ALEU48
AASN49
AGLU130
AILE216
AASN257
AALA258
AHOH2133

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1299
ChainResidue
AHIS118
AALA119
AASN149
ATYR167

site_idCC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1300
ChainResidue
AASN179
ALEU180
ALYS181
ALYS186
BLYS32
BVAL34

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1313
ChainResidue
BGLN47
BLYS50
BLYS103
BHOH2023

site_idCC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL A 1318
ChainResidue
AGOL1295
ATYR238

site_idCC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 1293
ChainResidue
BALA228
BLYS229
BASP230
BHOH2154

site_idCC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1294
ChainResidue
BALA117
BHIS118
BLEU145
BASN149
BTHR197
BASP199
BHOH2156

site_idCC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 1295
ChainResidue
BASP88
BASP89
BLYS90
BHOH2157

site_idCC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 1296
ChainResidue
BASN49
BLYS50
BHOH2024

site_idCC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 1297
ChainResidue
BGLU100
BGLN105
BARG107
BHOH2055

site_idDC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 1298
ChainResidue
BVAL54
BASN70
BGLY264
BGLU265
BHOH2158

Functional Information from PROSITE/UniProt
site_idPS00743
Number of Residues20
DetailsBETA_LACTAMASE_B_1 Beta-lactamases class B signature 1. IiTHaHADciGGiktlker.G
ChainResidueDetails
AILE113-GLY133

site_idPS00744
Number of Residues13
DetailsBETA_LACTAMASE_B_2 Beta-lactamases class B signature 2. PqynILvGgCLVK
ChainResidueDetails
APRO209-LYS224

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:20677753, ECO:0000269|PubMed:24059435, ECO:0000269|PubMed:26482303, ECO:0000269|PubMed:7588620, ECO:0000269|PubMed:9761898
ChainResidueDetails
AHIS116
AHIS118
AHIS196
BHIS116
BHIS118
BHIS196

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:20677753, ECO:0000269|PubMed:24059435, ECO:0000269|PubMed:26482303
ChainResidueDetails
AASP120
ACSD221
AHIS263
BASP120
BCSD221
BHIS263

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:26482303
ChainResidueDetails
ALYS224
BLYS224

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:26482303, ECO:0000269|PubMed:9761898
ChainResidueDetails
AASN233
BASN233

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 2bmi
ChainResidueDetails
AASP120
AASN233

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 2bmi
ChainResidueDetails
BASP120
BASN233

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 2bmi
ChainResidueDetails
AASP120

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 2bmi
ChainResidueDetails
BASP120

site_idMCSA1
Number of Residues5
DetailsM-CSA 16
ChainResidueDetails
AHIS116metal ligand
AHIS118metal ligand
AASP120hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
AHIS196metal ligand
AASN233electrostatic stabiliser, hydrogen bond donor

site_idMCSA2
Number of Residues5
DetailsM-CSA 16
ChainResidueDetails
BHIS116metal ligand
BHIS118metal ligand
BASP120hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
BHIS196metal ligand
BASN233electrostatic stabiliser, hydrogen bond donor

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PDB entries from 2024-10-30

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