Structure of PDB 7c9k Chain A Binding Site BS01

Receptor Information
>7c9k Chain A (length=228) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIKLILQQYLEKFEAHYERVLQDDQALETLMDDYSEFILNPIYEQQFNAW
RDVEEKAQLIKSLQYITAQCVKQVQVIRARRLLITSNDKLLLVGSGAYPM
TLIQVAKETGASVIGIDIDPQAVDLGRRIVNVLAPNEDITITDQKVSELK
DIKDVTHIIFSSTIPLKYSILEELYDLTNENVVVAMRFGDGIKAIFNYPS
QETAEDKWQCVNKHMRPQQIFDIALYKK
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 chain7c9k 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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PDB7c9k Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		N121 D122
Binding residue
(residue number reindexed from 1)		N87 D88
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.152: D-histidine 2-aminobutanoyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0030410 nicotianamine synthase activity
Biological Process
GO:0030418 nicotianamine biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7c9k, PDBe:7c9k, PDBj:7c9k
PDBsum7c9k
PubMed33826776
UniProtA0A0H3JXA8|NASLD_STAAM D-histidine 2-aminobutanoyltransferase (Gene Name=cntL)

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