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3IXB

X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase complexed with benzo(b)thiophene-2-boronic acid (BZB) at 1.63 Angstrom resolution

Functional Information from GO Data
ChainGOidnamespacecontents
A0008800molecular_functionbeta-lactamase activity
A0016787molecular_functionhydrolase activity
A0017001biological_processantibiotic catabolic process
A0030288cellular_componentouter membrane-bounded periplasmic space
A0042597cellular_componentperiplasmic space
A0046677biological_processresponse to antibiotic
B0008800molecular_functionbeta-lactamase activity
B0016787molecular_functionhydrolase activity
B0017001biological_processantibiotic catabolic process
B0030288cellular_componentouter membrane-bounded periplasmic space
B0042597cellular_componentperiplasmic space
B0046677biological_processresponse to antibiotic
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 B 3
ChainResidue
ASER127
ASER128
AHOH604
BHOH458
BHOH876
BHOH1039

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE BZB B 362
ChainResidue
BASN152
BTYR221
BALA318
BHOH415
BHOH509
BSER64
BGLN120
BTYR150

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PO4 A 362
ChainResidue
AHIS186
AHOH383
AHOH489
AHOH647
AHOH875
AHOH1018
AHOH1030
AHOH1031
BLYS290

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE BZB A 363
ChainResidue
ASER64
AGLN120
ATYR150
AASN152
ATYR221
AGLY317
AALA318
AHOH460
AHOH1022

Functional Information from PROSITE/UniProt
site_idPS00336
Number of Residues8
DetailsBETA_LACTAMASE_C Beta-lactamase class-C active site. FELGSVSK
ChainResidueDetails
BPHE60-LYS67

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Acyl-ester intermediate => ECO:0000255|PROSITE-ProRule:PRU10102, ECO:0000269|PubMed:6795623
ChainResidueDetails
BSER64
ASER64

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
BTYR150
ATYR150

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
BLYS315
ALYS315

219869

PDB entries from 2024-05-15

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