Structure of PDB 2ch6 Chain A Binding Site BS02

Receptor Information
>2ch6 Chain A (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 A 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)		G78 D107 G128 S129 N130 G145 G147 D152
Binding residue
(residue number reindexed from 1)		G77 D106 G127 S128 N129 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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