Structure of PDB 8ebr Chain A Binding Site BS01

Receptor Information
>8ebr Chain A (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 ID0RN
InChIInChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyFKENQMMABCRJMK-RITPCOANSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC1(C)[C@@H](N2[C@@H](CC2=O)[S]1(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C
CACTVS 3.370CC1(C)[CH](N2[CH](CC2=O)[S]1(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C
ACDLabs 12.01O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C
FormulaC8 H11 N O5 S
NameSULBACTAM;
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
ChEMBLCHEMBL403
DrugBankDB09324
ZINCZINC000000897244
PDB chain8ebr Chain A 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)		S70 E168 N172 T239
Binding residue
(residue number reindexed from 1)		S42 E140 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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