Structure of PDB 7bva Chain A Binding Site BS01

Receptor Information
>7bva Chain A (length=480) Species: 233413 (Mycobacterium tuberculosis variant bovis AF2122/97) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQLPPDLRRVHMVGIGGAGMSGIARILLDRGGLVSGSDAKESRGVHALRA
RGALIRIGHDASSLDLLPGGATAVVTTHAAIPKTNPELVEARRRGIPVVL
RPAVLAKLMAGRTTLMVTGTHGKTTTTSMLIVALQHCGLDPSFAVGGELG
EAGTNAHHGSGDCFVAEADESDGSLLQYTPHVAVITNIESDHLDFYGSVE
AYVAVFDSFVERIVPGGALVVCTDDPGGAALAQRATELGIRVLRYGSVPG
ETMAATLVSWQQQGVGAVAHIRLASELATAQGPRVMRLSVPGRHMALNAL
GALLAAVQIGAPADEVLDGLAGFEGVRRRFELVGTCGVGKASVRVFDDYA
HHPTEISATLAAARMVLEQGDGGRCMVVFQPHLYSRTKAFAAEFGRALNA
ADEVFVLDVYGAREQPLAGVSGASVAEHVTVPMRYVPDFSAVAQQVAAAA
SPGDVIVTMGAGDVTLLGPEILTALRVRAN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7bva Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bva Crystal structures of UDP-N-acetylmuramic acid L-alanine ligase (MurC) from Mycobacterium bovis with and without UDP-N-acetylglucosamine.
Resolution2.303 Å
Binding residue
(original residue number in PDB)		H195 H354 H355
Binding residue
(residue number reindexed from 1)		H192 H351 H352
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.8: UDP-N-acetylmuramate--L-alanine ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008763 UDP-N-acetylmuramate-L-alanine ligase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
Biological Process
GO:0008360 regulation of cell shape
GO:0009058 biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bva, PDBe:7bva, PDBj:7bva
PDBsum7bva
PubMed33950018
UniProtP65473|MURC_MYCBO UDP-N-acetylmuramate--L-alanine ligase (Gene Name=murC)

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