Structure of PDB 4q8k Chain A Binding Site BS01

Receptor Information
>4q8k Chain A (length=227) Species: 515257 (Pseudoalteromonas sp. SM0524) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIPSSITSGSIFDLEGDNPNPLVDDSTLVFVPLEAQHITPNGNGWRHEYK
VKESLRVAMTQTYEVFEATVKVEMSDGGKTIISQHHASDTGTISKVYVSD
TDESGFNDSVANNGIFDVYVRLRNTSGNEEKFALGTMTSGETFNLRVVNN
YGDVEVTAFGNSFGIPVEDDSQSYFKFGNYLQSQDPYTLDKCGEAGNSNS
FKNCFEDLGITESKVTMTNVSYTRETN
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 chain4q8k Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4q8k Molecular insight into the role of the N-terminal extension in the maturation, substrate recognition, and catalysis of a bacterial alginate lyase from polysaccharide lyase family 18.
Resolution1.646 Å
Binding residue
(original residue number in PDB)		D273 D281 V283 N286 I288
Binding residue
(residue number reindexed from 1)		D100 D108 V110 N113 I115
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4q8k, PDBe:4q8k, PDBj:4q8k
PDBsum4q8k
PubMed25210041
UniProtB2LME8

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