Structure of PDB 7nut Chain A Binding Site BS01

Receptor Information
>7nut Chain A (length=401) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAAGARVLQFTNCRILRGGKLLREDLWVRGGRILDPEKLFFEERRVADER
RDCGGRILAPGFIDVQINGGFGVDFSQATEDVGSGVALVARRILSHGVTS
FCPTLVTSPPEVYHKVVPQIPVKSGGPHGAGVLGLHLEGPFISREKRGAH
PEAHLRSFEADAFQDLLATYGPLDNVRIVTLAPELGRSHEVIRALTARGI
CVSLGHSVADLRAAEDAVWSGATFITHLFNAMLPFHHRDPGIVGLLTSDR
LPAGRCIFYGMIADGTHTNPAALRIAHRAHPQGLVLVTDAIPALGLGNGR
HTLGQQEVEVDGLTAYVAGTKTLSGSIAPMDVCVRHFLQATGCSMESALE
AASLHPAQLLGLEKSKGTLDFGADADFVVLDDSLHVQATYISGELVWQAD
A
Ligand information
Ligand IDGLP
InChIInChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyXHMJOUIAFHJHBW-UKFBFLRUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O
CACTVS 3.341N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
CACTVS 3.341N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(N)C(O)C1O
FormulaC6 H14 N O8 P
Name2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose;
GLUCOSAMINE 6-PHOSPHATE;
6-O-phosphono-alpha-D-glucosamine;
2-amino-2-deoxy-6-O-phosphono-alpha-D-glucose;
2-amino-2-deoxy-6-O-phosphono-D-glucose;
2-amino-2-deoxy-6-O-phosphono-glucose
ChEMBL
DrugBankDB02657
ZINCZINC000004097103
PDB chain7nut Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nut GFPT2/GFAT2 and AMDHD2 act in tandem to control the hexosamine pathway.
Resolution1.898 Å
Binding residue
(original residue number in PDB)		A154 N235 A236 H272 D294 L328 S329 G330
Binding residue
(residue number reindexed from 1)		A149 N230 A231 H267 D289 L323 S324 G325
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.1.25: N-acetylglucosamine-6-phosphate deacetylase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008448 N-acetylglucosamine-6-phosphate deacetylase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
GO:0047419 N-acetylgalactosamine-6-phosphate deacetylase activity
Biological Process
GO:0006040 amino sugar metabolic process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006046 N-acetylglucosamine catabolic process
GO:0006048 UDP-N-acetylglucosamine biosynthetic process
GO:0019262 N-acetylneuraminate catabolic process
GO:0106279 negative regulation of UDP-N-acetylglucosamine biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7nut, PDBe:7nut, PDBj:7nut
PDBsum7nut
PubMed35229715
UniProtQ9Y303|NAGA_HUMAN N-acetylglucosamine-6-phosphate deacetylase (Gene Name=AMDHD2)

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