Structure of PDB 3lmw Chain A Binding Site BS01

Receptor Information
>3lmw Chain A (length=472) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSPKTYKDADFYVAPTQQDVNYDLVDDFGANGNDTSDDSNALQRAINAIS
RKPNGGTLLIPNGTYHFLGIQMKSNVHIRVESDVIIKPTWNGDGKNHRLF
EVGVNNIVRNFSFQGLGNGFLVDFKDSRDKNLAVFKLGDVRNYKISNFTI
DDNKTIFASILVDVTERNGRLHWSRNGIIERIKQNNALFGYGLIQTYGAD
NILFRNLHSEGGIALRMETDNLLMKNYKQGGIRNIFADNIRCSKGLAAVM
FGPHFMKNGDVQVTNVSSVSCGSAVRSDSGFVELFSPTDEVHTRQSWKQA
VESKLGRGCAQTPYARGNGGTRWAARVTQKDACLDKAKLEYGIEPGSFGT
VKVFDVTARFGYNADLKQDQLDYFSTSNPMCKRVCLPTKEQWSKQGQIYI
GPSLAAVIDTTPETSKYDYDVKTFNVKRINFPVNSHKTIDTNTESSRVCN
YYGMSECSSSRWERLEHHHHHH
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 chain3lmw Chain A Residue 9 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lmw Identification of catalytic residues and mechanistic analysis of family GH82 iota-carrageenases
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N58 S63 D65
Binding residue
(residue number reindexed from 1)		N31 S36 D38
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.157: iota-carrageenase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033952 iota-carrageenase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0071555 cell wall organization
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:3lmw, PDBe:3lmw, PDBj:3lmw
PDBsum3lmw
PubMed20681629
UniProtQ9F5I8|CGIA_ALTMA Iota-carrageenase (Gene Name=cgiA)

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