Structure of PDB 5vma Chain A Binding Site BS04

Receptor Information
>5vma Chain A (length=700) Species: 1408 (Bacillus pumilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNKERFLTLYHQIKSDANGYFSPEGIPYHSIETLICEAPDYGHMTTSEAY
SYWLWLEVLYGHYTRDWSKLEAAWDNMEKYIIPVNENDEQPHMSAYNPSS
PATYASEKPYPDQYPSQLSGARPAGQDPIDGELKSTYGTNETYLMHWLLD
VDNWYKYGNLLNPSHKAAYVNTFQRGQQESVWEAIPHPSQDDKSFGKPNE
GFMSLFTKENQVPAAQWRYTNATDADARAIQAIYWAKELGYNNSTYLDKA
KKMGDFLRYGMYDKYFQTIGSGKQGNPYPGNGKGACHYLMAWYTSWGGGL
GDYANWSWRIGASHCHQGYQNPVAAYALSSDKGGLKPSSATGASDWEKTL
KRQLEFYVWLQSKEGAIAGGATNSWNGDYSAYPAGRSTFYDMAYEDAPVY
HDPPSNNWFGMQAWPMERVAELYYIFVKDGDKTSENVQMAKSCITKWVNY
ALDYIFIGSRPVSDEEGYFLDDQGRRILGGTNATVATTSAPGEFWLPGNI
AWSGQPDTWNGFQSATGNPNLTAVTKDPTQDTGVLGSLVKAFTFFAAATK
LETGNYTALGVRAKDAAAQLLEVAWNYNDGVGIVTEEEREDYDRFFKKEV
YFPNGWNGTFGQGNQIPGSSTIPSDPQRGGNGVYTSFADLRPNIKQDPAW
SSLESKYQSSFNEATGKWENGAPVFTYHRFWSQVDMATAYAEYHRLINLE
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 chain5vma Chain A Residue 804 [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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PDB5vma Bacillus pumilus family 48 glycoside hydrolase in complex with cellobio-derived isofagomine
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Q181 E186 D405
Binding residue
(residue number reindexed from 1)		Q178 E183 D402
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5vma, PDBe:5vma, PDBj:5vma
PDBsum5vma
PubMed
UniProtA8FDC4

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