Structure of PDB 3vnm Chain C Binding Site BS01

Receptor Information
>3vnm Chain C (length=288) Species: 394503 (Ruminiclostridium cellulolyticum H10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE
LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD
VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE
VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT
AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG
GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLE
Ligand information
Ligand IDSDD
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1
InChIKeyBJHIKXHVCXFQLS-PYWDMBMJSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.6C(C(C(C(C(=O)CO)O)O)O)O
OpenEye OEToolkits 1.7.6C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)C(=O)CO
CACTVS 3.370OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)CO
FormulaC6 H12 O6
NameD-sorbose
ChEMBL
DrugBank
ZINCZINC000005131991
PDB chain3vnm Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3vnm Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		Y6 H66 G67 E150 E156 H186 H209 R215 E244
Binding residue
(residue number reindexed from 1)		Y6 H66 G67 E150 E156 H186 H209 R215 E244
Annotation score5
Enzymatic activity
Enzyme Commision number 5.1.3.30: D-psicose 3-epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding

View graph for
Molecular Function
External links
PDB RCSB:3vnm, PDBe:3vnm, PDBj:3vnm
PDBsum3vnm
PubMed22426981
UniProtB8I944|DPES_RUMCH D-psicose 3-epimerase (Gene Name=Ccel_0941)

[Back to BioLiP]