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BioLiP

Structure of PDB 5lb1 Chain B Binding Site BS01

Receptor Information
>5lb1 Chain B (length=253) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMAHLTMPYVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPV
EGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTH
FTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGS
RYKHIIMDSSTYGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGC
LNVSPSNAQWFYDHVKRGDIVEVVNTVGGTLPGIDGLGDWNIPWDQWRAG
NAK
Ligand information
Ligand IDMNB
InChIInChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
InChIKeyGANZODCWZFAEGN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
CACTVS 3.341OC(=O)c1cc(S)ccc1[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]
FormulaC7 H5 N O4 S
Name5-MERCAPTO-2-NITRO-BENZOIC ACID
ChEMBL
DrugBankDB02763
ZINCZINC000002046780
PDB chain5lb1 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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PDB5lb1 Binding and processing of beta-lactam antibiotics by the transpeptidase LdtMt2 from Mycobacterium tuberculosis.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		M303 Y308 Y318 T320 F334 H336 C354
Binding residue
(residue number reindexed from 1)		M157 Y162 Y164 T166 F180 H182 C200
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:5lb1, PDBe:5lb1, PDBj:5lb1
PDBsum5lb1
PubMed28075068
UniProtI6Y9J2|LDT2_MYCTU L,D-transpeptidase 2 (Gene Name=ldtB)

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