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4XXR

Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-Lactamase

Functional Information from GO Data
ChainGOidnamespacecontents
A0008800molecular_functionbeta-lactamase activity
A0016787molecular_functionhydrolase activity
A0017001biological_processantibiotic catabolic process
A0030655biological_processbeta-lactam antibiotic catabolic process
A0046677biological_processresponse to antibiotic
A0046872molecular_functionmetal ion binding
B0008800molecular_functionbeta-lactamase activity
B0016787molecular_functionhydrolase activity
B0017001biological_processantibiotic catabolic process
B0030655biological_processbeta-lactam antibiotic catabolic process
B0046677biological_processresponse to antibiotic
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue K A 301
ChainResidue
AGLY238
AHOH548
AHOH550
AHOH567
AHOH643
AHOH651

site_idAC2
Number of Residues18
Detailsbinding site for residue JSD A 302
ChainResidue
AASN132
APRO167
AASN170
ALYS234
ATHR235
AGLY236
ASER237
AGLY238
AASP240
AARG256
AARG276
AHOH558
AHOH567
AHOH578
AHOH643
ASER70
AASN104
ASER130

site_idAC3
Number of Residues18
Detailsbinding site for residue JSC A 303
ChainResidue
AGLN31
ALYS32
AALA35
ALYS82
AGLU85
ATHR86
AALA154
AGLN192
AHIS197
AALA198
AHOH406
AHOH459
AHOH594
BGLY143
BGLY146
BGLY147
BHOH455
BHOH485

site_idAC4
Number of Residues15
Detailsbinding site for residue JSE A 304
ChainResidue
AASN54
AGLN56
AARG184
AGLN188
AARG191
AJSC305
AHOH620
BGLN83
BGLN87
BALA140
BGLN141
BLEU142
BGLY143
BALA150
BHOH500

site_idAC5
Number of Residues5
Detailsbinding site for residue JSC A 305
ChainResidue
AASN54
AJSE304
BLYS82
BGLN83
BALA154

site_idAC6
Number of Residues5
Detailsbinding site for residue K B 301
ChainResidue
BGLY238
BHOH574
BHOH575
BHOH592
BHOH680

site_idAC7
Number of Residues17
Detailsbinding site for residue JSD B 302
ChainResidue
BASN104
BSER130
BASN132
BPRO167
BASN170
BLYS234
BTHR235
BGLY236
BSER237
BGLY238
BASP240
BARG256
BARG276
BHOH569
BHOH592
BHOH635
BHOH685

site_idAC8
Number of Residues4
Detailsbinding site for residue JSC B 303
ChainResidue
BILE108
BGLU121
BTYR129
BHOH667

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

246031

PDB entries from 2025-12-10

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