Structure of PDB 3iln Chain B Binding Site BS01

Receptor Information
>3iln Chain B (length=251) Species: 29549 (Rhodothermus marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLPHWELVWSDEFDYNGLPDPAKWDYDVGGHGWGNQELQYYTRARIENAR
VGGGVLIIEARRESYEGREYTSARLVTRGKASWTYGRFEIRARLPSGRGT
WPAIWMLPDRQTYGSAYWPDNGEIDIAEHVGFNPDVVHGTVHTKAYNHLL
GTQRGGSIRVPTARTDFHVYAIEWTPEEIRWFVDDSLYYRFPNERLTNPE
ADWRHWPFDQPFHLIMNIAVGGTWGGQQGVDPEAFPAQLVVDYVRVYRWV
E
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 chain3iln Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3iln Molecular basis of the thermostability and thermophilicity of laminarinases: X-ray structure of the hyperthermostable laminarinase from Rhodothermus marinus and molecular dynamics simulations.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E18 G60 D248
Binding residue
(residue number reindexed from 1)		E12 G54 D242
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3iln, PDBe:3iln, PDBj:3iln
PDBsum3iln
PubMed21619042
UniProtO52754

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