Structure of PDB 6d4k Chain A Binding Site BS01

Receptor Information
>6d4k Chain A (length=238) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YGFAVASVLPTRGQVVGVAHPVVVTFSAPITNPANRHAAERAVEVKSTPA
MTGKFEWLDNDVVQWVPDRFWPAHSTVELSVGSLSSDFKTGPAVVGVASI
SQHTFTVSIDGVEEGPPPPLPAPHHRVHFGEDGVMPASMGRPEYPTPVGS
YTVLSKERSVIMDSSSVGIPVDDPDGYRLSVDYAVRITSRGLYVHSAPWA
LPALGLENVSHGCISLSREDAEWYYNAVDIGDPVIVQE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6d4k Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6d4k Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
Resolution1.32 Å
Binding residue
(original residue number in PDB)		V17 D231
Binding residue
(residue number reindexed from 1)		V15 D229
Annotation score4
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:6d4k, PDBe:6d4k, PDBj:6d4k
PDBsum6d4k
PubMed30556998
UniProtO06825|LDT3_MYCTU Probable L,D-transpeptidase 3 (Gene Name=Rv1433)

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