Structure of PDB 5lbg Chain B Binding Site BS01

Receptor Information
>5lbg Chain B (length=259) Species: 83331 (Mycobacterium tuberculosis CDC1551) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLTMPYVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGA
FYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTI
GDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYK
HIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTN
TSHGCLNVSPSNAQWFYDHVKRGDIVEVVNTVGGTLPGIDGLGDWNIPWD
QWRAGNAKA
Ligand information
Ligand ID3HL
InChIInChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyWHBMMWSBFZVSSR-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CC(O)C
CACTVS 3.341C[C@H](O)CC(O)=O
CACTVS 3.341C[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0CC(CC(=O)O)O
OpenEye OEToolkits 1.5.0C[C@@H](CC(=O)O)O
FormulaC4 H8 O3
Name(3S)-3-HYDROXYBUTANOIC ACID
ChEMBLCHEMBL1162497
DrugBank
ZINCZINC000000901665
PDB chain5lbg Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5lbg Binding and processing of beta-lactam antibiotics by the transpeptidase LdtMt2 from Mycobacterium tuberculosis.
Resolution1.54 Å
Binding residue
(original residue number in PDB)		Y318 G332 V333 H352 G353 C354
Binding residue
(residue number reindexed from 1)		Y169 G183 V184 H203 G204 C205
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.-
Gene Ontology
Molecular Function
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:5lbg, PDBe:5lbg, PDBj:5lbg
PDBsum5lbg
PubMed28075068
UniProtI6Y9J2|LDT2_MYCTU L,D-transpeptidase 2 (Gene Name=ldtB)

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