Structure of PDB 3vot Chain B Binding Site BS03

Receptor Information
>3vot Chain B (length=394) Species: 279010 (Bacillus licheniformis DSM 13 = ATCC 14580) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKRNKNLAIICQNKHLPFIFEEAERLGLKVTFFYNSAEDFPGNLPAVERC
VPLPLFEDEEAAMDVVRQTFVEFPFDGVMTLFEPALPFTAKAAEALNLPG
LPFTTMENCRNKNKTRSILQQNGLNTPVFHEFHTLADLEKLSYPLVVKPV
NGVVRVDDRKELEEAVRKVTGIVAEQFIDGPEFAIETLSIQGNVHVLSIG
YKGNSKGPFFEEGVYIAPAQLKEETRLAIVKEVTGAVSALGIHQGPAHTE
LRLDKDGTPYVIEVGARIGGSGVSHYIVKESTGINFMQLVLQNALKPLES
SEFEGEIRPVRTAGNYIIPVQGSGTFEKIDGLEEVKQRQEVKRVFQFMRR
GAKILPYPHFSGYPGFILTSHHSYEECEAFYRELDDELHIIYQN
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 chain3vot Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vot The structure of L-amino-acid ligase from Bacillus licheniformis
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E84 E286
Binding residue
(residue number reindexed from 1)		E83 E263
Annotation score4
Enzymatic activity
Enzyme Commision number 6.3.2.28: Transferred entry: 6.3.2.49.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3vot, PDBe:3vot, PDBj:3vot
PDBsum3vot
PubMed23090402
UniProtQ65D11

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