Structure of PDB 4ebp Chain C Binding Site BS01

Receptor Information
>4ebp Chain C (length=259) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLADRFAELERRYDARLGVYVPATGTTAAIEYRADERFAFCSTFKAPLVA
AVLHQNPLTHLDKLITYTSDDIRSISPVAQQHVQTGMTIGQLCDAAIRYS
DGTAANLLLADLGGPGGGTAAFTGYLRSLGDTVSRLDAEDPPGDERDTTT
PHAIALVLQQLVLGNALPPDKRALLTDWMARNTTGAKRIRAGFPADWKVI
DKTGTGDYGRANDIAVVWSPTGVPYVVAVMSDRAGGGYDAEPREALLAEA
ATCVAGVLA
Ligand information
Ligand IDCEF
InChIInChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1
InChIKeyNRYMPLKBKFIWQC-YVCCLBOHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CO\N=C(/C(=O)N[C@H](C=O)[C@H]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
OpenEye OEToolkits 1.7.6CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O
OpenEye OEToolkits 1.7.6CON=C(c1csc(n1)N)C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O
CACTVS 3.385CON=C(C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
FormulaC14 H15 N5 O5 S2
NameCEFOTAXIME, C3' cleaved, open, bound form
ChEMBL
DrugBankDB08375
ZINCZINC000015605562
PDB chain4ebp Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ebp Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
Resolution2.29 Å
Binding residue
(original residue number in PDB)		S70 I105 S130 T235 G236 T237 D240
Binding residue
(residue number reindexed from 1)		S42 I75 S100 T203 G204 T205 D207
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S70 K73 S130 K234 T237
Catalytic site (residue number reindexed from 1) S42 K45 S100 K202 T205
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
View graph for
Cellular Component
External links
PDB RCSB:4ebp, PDBe:4ebp, PDBj:4ebp
PDBsum4ebp
PubMed
UniProtP9WKD3|BLAC_MYCTU Beta-lactamase (Gene Name=blaC)

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