Structure of PDB 1ji3 Chain A Binding Site BS02
Receptor Information
>1ji3 Chain A (length=388) Species:
1422
(Geobacillus stearothermophilus) [
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ASLRANDAPIVLLHGFTGWGREEMFGFKYWGGVRGDIEQWLNDNGYRTYT
LAVGPLSSNWDRVCEAYVQLVGGTVDYGAAHAAKHGHARFGRTYPGLLPE
LKRGGRIHIIAHSQGGQTARMLVSLLENGSQEEREYAKAHNVSLSPLFEG
GHHFVLSVTTIATPHDGTTLVNMVDFTDRFFDLQKAVLEAAAVASNVPYT
SQVYDFKLDQWGLRRQPGESFDHYFERLKRSPVWTSTDTARYDLSVSGAE
KLNQWVQASPNTYYLSFSTERTYRGALTGNHYPELGMNAFSAVVCAPFLG
SYRNPTLGIDSHWLENDGIVNTISMNGPKRGSNDRIVPYDGTLKKGVWND
MGTYNVDHLEIIGVDPNPSFDIRAFYLRLAEQLASLQP
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
1ji3 Chain A Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
1ji3
Crystal Structure of a Thermostable Lipase from Bacillus stearothermophilus P1
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
D61 H81 H87 D238
Binding residue
(residue number reindexed from 1)
D61 H81 H87 D238
Annotation score
1
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
PDBsum
1ji3
PubMed
12417199
UniProt
Q9L6D3
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