Structure of PDB 5xnr Chain A Binding Site BS01

Receptor Information
>5xnr Chain A (length=385) Species: 1561025 (Persicobacter sp. CCB-QB2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKVHMQYDIVAVTASAHDGNLPENTIDGNLSTRWSANGSGQYITFDLGSA
KTVNQVKAAWYNGDSRTSGFSISLGSDPASLTEVYSGTSSGQTNALESYS
FTATTARYIRITGFGNSSNTWNSITEVAIFHAGEEAPGTAQIPSDLMSNC
NQWKITYPDGSEDKTLCGEANNEYWFVNEDKNAMVFRAPIRSNNGTTPNS
SYVRSELRERKEDGSADIYWTTTGTHVVYVKQAITQLPIVKDHLVATQIH
GDKSAGIDDAMVMRLEGNHLFASFNGGKLRSDLTIKTNYNLGTVHEVIFE
VINGKHYLYYSEDGKLAEAYANGSAAAYLIKDGGNDYVMDLNYDQSYFKI
GNYTQSNSEKEGSYTGDPNNYGEVVVYDYFVSHQH
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 chain5xnr Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xnr Functional and Structural Studies of a Multidomain Alginate Lyase from Persicobacter sp. CCB-QB2.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N206 D209 N211 T214 T307
Binding residue
(residue number reindexed from 1)		N24 D27 N29 T32 T125
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:5xnr, PDBe:5xnr, PDBj:5xnr
PDBsum5xnr
PubMed29057942
UniProtA0A3B6UEP6

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