Structure of PDB 3vni Chain A Binding Site BS01

Receptor Information

>3vni Chain A (length=289) 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
GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLEC

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

3vni Chain A Residue 7001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3vni Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Resolution	1.98 Å
Binding residue (original residue number in PDB)	E150 D183 H209 E244
Binding residue (residue number reindexed from 1)	E150 D183 H209 E244
Annotation score	1

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:3vni, PDBe:3vni, PDBj:3vni
PDBsum	3vni
PubMed	22426981
UniProt	B8I944\|DPES_RUMCH D-psicose 3-epimerase (Gene Name=Ccel_0941)

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