Structure of PDB 3eo3 Chain C Binding Site BS01

Receptor Information
>3eo3 Chain C (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLSALAVDLGTNLRVAIVSMKGEIVKKYTQFNPKTYEERINLILQMCVEA
AAEAVKLNCRILGVGISTDLRTPLSDTLHLPVWVDNDGNCAALAERKFGQ
GKGLENFVTLITGTGIGGGIIHQHELIHGSSFCAAELGHLVVSLDGPDCS
CGSHGCIEAYASGMALQREAKKLHDEDLLLVEGMSVPKEAVGALHLIQAA
KLGNAKAQSILRTAGTALGLGVVNILHTMNPSLVILSGVLASHYIHIVKD
VIRQQALSSVQDVDVVVSDLVDPALLGAASMVLDYT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3eo3 Chain C Residue 801 [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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PDB3eo3 Crystal structure of the N-acetylmannosamine kinase domain of GNE.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		H569 C579 C581 C586
Binding residue
(residue number reindexed from 1)		H139 C149 C151 C156
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.60: N-acylmannosamine kinase.
3.2.1.183: UDP-N-acetylglucosamine 2-epimerase (hydrolyzing).
External links
PDB RCSB:3eo3, PDBe:3eo3, PDBj:3eo3
PDBsum3eo3
PubMed19841673
UniProtQ9Y223|GLCNE_HUMAN Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase (Gene Name=GNE)

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