Structure of PDB 8ebr Chain D Binding Site BS01

Receptor Information
>8ebr Chain D (length=265) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLADRFAELERRYDARLGVYVPATGTTAAIEYRADERFAFCSTFKAPLVA
AVLHQNPLTHLDKLITYTSDDIRSISPVAQQHVQTGMTIGQLCDAAIRYS
DGTAANLLLADLGGPGGGTAAFTGYLRSLGDTVSRLDAEEPELNRDPPGD
ERDTTTPHAIALVLQQLVLGNALPPDKRALLTDWMARNTTGAKRIRAGFP
ADWKVIDKTGTGDYGRANDIAVVWSPTGVPYVVAVMSDRAGGGYDAEPRE
ALLAEAATCVAGVLA
Ligand information
Ligand IDTSL
InChIInChI=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
InChIKeyDPHUOYJKDIRKGT-YUDCMIJISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5CC(C)(C(C(=O)O)NC=CC=O)S(=O)O
OpenEye OEToolkits 1.7.5CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O
CACTVS 3.385CC(C)([CH](NC=CC=O)C(O)=O)[S](O)=O
ACDLabs 10.04O=S(O)C(C(N\C=C\C=O)C(=O)O)(C)C
CACTVS 3.385CC(C)([C@@H](N\C=C\C=O)C(O)=O)[S](O)=O
FormulaC8 H13 N O5 S
NameTRANS-ENAMINE INTERMEDIATE OF SULBACTAM
ChEMBL
DrugBank
ZINCZINC000033821544
PDB chain8ebr Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ebr Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Resolution2.8 Å
Binding residue
(original residue number in PDB)
C69 S70 N172 T239
Binding residue
(residue number reindexed from 1)
C41 S42 N144 T211
Annotation score1
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

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:8ebr, PDBe:8ebr, PDBj:8ebr
PDBsum8ebr
PubMed37679343
UniProtP9WKD3|BLAC_MYCTU Beta-lactamase (Gene Name=blaC)

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