Structure of PDB 8ebr Chain D Binding Site BS01
Receptor Information
>8ebr Chain D (length=265) Species:
1773
(Mycobacterium tuberculosis) [
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DLADRFAELERRYDARLGVYVPATGTTAAIEYRADERFAFCSTFKAPLVA
AVLHQNPLTHLDKLITYTSDDIRSISPVAQQHVQTGMTIGQLCDAAIRYS
DGTAANLLLADLGGPGGGTAAFTGYLRSLGDTVSRLDAEEPELNRDPPGD
ERDTTTPHAIALVLQQLVLGNALPPDKRALLTDWMARNTTGAKRIRAGFP
ADWKVIDKTGTGDYGRANDIAVVWSPTGVPYVVAVMSDRAGGGYDAEPRE
ALLAEAATCVAGVLA
Ligand information
Ligand ID
TSL
InChI
InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1
InChIKey
DPHUOYJKDIRKGT-YUDCMIJISA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.5
CC(C)(C(C(=O)O)NC=CC=O)S(=O)O
OpenEye OEToolkits 1.7.5
CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O
CACTVS 3.385
CC(C)([CH](NC=CC=O)C(O)=O)[S](O)=O
ACDLabs 10.04
O=S(O)C(C(N\C=C\C=O)C(=O)O)(C)C
CACTVS 3.385
CC(C)([C@@H](N\C=C\C=O)C(O)=O)[S](O)=O
Formula
C8 H13 N O5 S
Name
TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
ChEMBL
DrugBank
ZINC
ZINC000033821544
PDB chain
8ebr Chain D Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
8ebr
Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
C69 S70 N172 T239
Binding residue
(residue number reindexed from 1)
C41 S42 N144 T211
Annotation score
1
Enzymatic activity
Enzyme Commision number
3.5.2.6
: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008800
beta-lactamase activity
GO:0016787
hydrolase activity
Biological Process
GO:0017001
antibiotic catabolic process
GO:0030655
beta-lactam antibiotic catabolic process
GO:0046677
response to antibiotic
Cellular Component
GO:0005576
extracellular region
GO:0005886
plasma membrane
GO:0042597
periplasmic space
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:8ebr
,
PDBe:8ebr
,
PDBj:8ebr
PDBsum
8ebr
PubMed
37679343
UniProt
P9WKD3
|BLAC_MYCTU Beta-lactamase (Gene Name=blaC)
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