Structure of PDB 2ch6 Chain D Binding Site BS02

Receptor Information
>2ch6 Chain D (length=343) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAIYGGVEGGGTRSEVLLVSEDGKILAEADGLSTNHWLIGTDKCVERINE
MVNRAKRKAGVDPLVPLRSLGLSLSGGDQEDAGRILIEELRDRFPYLSES
YLITTDAAGSIATATPDGGVVLISGTGSNCRLINPDGSESGCGGWGHMMG
DEGSAYWIAHQAVKIVFDSIDNLEAAPHDIGYVKQAMFHYFQVPDRLGIL
THLYRDFDKCRFAGFCRKIAEGAQQGDPLSRYIFRKAGEMLGRHIVAVLP
EIDPVLFQGKIGLPILCVGSVWKSWELLKEGFLLALTQGREIQAQNFFSS
FTLMKLRHSSALGGASLGARHIGHLLPMDYSANAIAFYSYTFS
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2ch6 Chain D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ch6 Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		G145 G147 D152
Binding residue
(residue number reindexed from 1)		G144 G146 D151
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.1.-
2.7.1.59: N-acetylglucosamine kinase.
2.7.1.60: N-acylmannosamine kinase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0045127 N-acetylglucosamine kinase activity
GO:0160047 muramyl dipeptide kinase activity
Biological Process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006046 N-acetylglucosamine catabolic process
GO:0006048 UDP-N-acetylglucosamine biosynthetic process
GO:0006051 N-acetylmannosamine metabolic process
GO:0016310 phosphorylation
GO:0019262 N-acetylneuraminate catabolic process
GO:0032495 response to muramyl dipeptide
GO:0042742 defense response to bacterium
GO:0045087 innate immune response
GO:0046835 carbohydrate phosphorylation
GO:0070434 positive regulation of nucleotide-binding oligomerization domain containing 2 signaling pathway
Cellular Component
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ch6, PDBe:2ch6, PDBj:2ch6
PDBsum2ch6
PubMed17010375
UniProtQ9UJ70|NAGK_HUMAN N-acetyl-D-glucosamine kinase (Gene Name=NAGK)

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