Structure of PDB 2yhw Chain A Binding Site BS02

Receptor Information
>2yhw Chain A (length=309) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTLSALAVDLGGTNLRVAIVSMKGEIVKKYTQFNPKTYEERINLILQMCV
EAAAEAVKLNCRILGVGISTGGRVNPREGIVLHSTKLIQEWNSVDLRTPL
SDTLHLPVWVDNDGNCAALAERKFGQGKGLENFVTLITGTGIGGGIIHQH
ELIHGSSFCAAELGHLVVSLNGPDCSCGSHGCIEAYASGMALQREAKKLH
DEDLLLVEGMSVAVGALHLIQAAKLGNAKAQSILRTAGTALGLGVVNILH
TMNPSLVILSGVLASHYIHIVKDVIRQQALSSVQDVDVVVSDLVDPALLG
AASMVLDYT
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 chain2yhw Chain A Residue 1724 [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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PDB2yhw Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition
Resolution1.64 Å
Binding residue
(original residue number in PDB)		N516 N519 G548 A565
Binding residue
(residue number reindexed from 1)		N112 N115 G144 A161
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:2yhw, PDBe:2yhw, PDBj:2yhw
PDBsum2yhw
PubMed22343627
UniProtQ9Y223|GLCNE_HUMAN Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase (Gene Name=GNE)

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