Structure of PDB 7nut Chain B Binding Site BS01

Receptor Information
>7nut Chain B (length=398) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GARVLQFTNCRILRGGKLLREDLWVRGGRILDPEKLFFEERRVADERRDC
GGRILAPGFIDVQINGGFGVDFSQATEDVGSGVALVARRILSHGVTSFCP
TLVTSPPEVYHKVVPQIPVKSGGPHGAGVLGLHLEGPFISREKRGAHPEA
HLRSFEADAFQDLLATYGPLDNVRIVTLAPELGRSHEVIRALTARGICVS
LGHSVADLRAAEDAVWSGATFITHLFNAMLPFHHRDPGIVGLLTSDRLPA
GRCIFYGMIADGTHTNPAALRIAHRAHPQGLVLVTDAIPALGLGNGRHTL
GQQEVEVDGLTAYVAGTKTLSGSIAPMDVCVRHFLQATGCSMESALEAAS
LHPAQLLGLEKSKGTLDFGADADFVVLDDSLHVQATYISGELVWQADA
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
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7nut GFPT2/GFAT2 and AMDHD2 act in tandem to control the hexosamine pathway.
Resolution1.898 Å
Binding residue
(original residue number in PDB)		H242 R243
Binding residue
(residue number reindexed from 1)		H234 R235
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

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

[Back to BioLiP]