Structure of PDB 1ji3 Chain B Binding Site BS01

Receptor Information
>1ji3 Chain B (length=388) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLRANDAPIVLLHGFTGWGREEMFGFKYWGGVRGDIEQWLNDNGYRTYT
LAVGPLSSNWDRVCEAYVQLVGGTVDYGAAHAAKHGHARFGRTYPGLLPE
LKRGGRIHIIAHSQGGQTARMLVSLLENGSQEEREYAKAHNVSLSPLFEG
GHHFVLSVTTIATPHDGTTLVNMVDFTDRFFDLQKAVLEAAAVASNVPYT
SQVYDFKLDQWGLRRQPGESFDHYFERLKRSPVWTSTDTARYDLSVSGAE
KLNQWVQASPNTYYLSFSTERTYRGALTGNHYPELGMNAFSAVVCAPFLG
SYRNPTLGIDSHWLENDGIVNTISMNGPKRGSNDRIVPYDGTLKKGVWND
MGTYNVDHLEIIGVDPNPSFDIRAFYLRLAEQLASLQP
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 chain1ji3 Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ji3 Crystal Structure of a Thermostable Lipase from Bacillus stearothermophilus P1
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G286 E360 D365 P366
Binding residue
(residue number reindexed from 1)		G286 E360 D365 P366
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0016042 lipid catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ji3, PDBe:1ji3, PDBj:1ji3
PDBsum1ji3
PubMed12417199
UniProtQ9L6D3

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