Structure of PDB 1ne7 Chain D Binding Site BS03

Receptor Information
>1ne7 Chain D (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYK
KLIEYYKNGDLSFKYVKTFNMDEYVGLPRDHPESYHSFMWNNFFKHIDIH
PENTHILDGNAVDLQAECDAFEEKIKAAGGIELFVGGIGPDGHIAFNEPG
SSLVSRTRVKTLAMDTILANARFFDGELTKVPTMALTVGVGTVMDAREVM
ILITGAHKAFALYKAIEEGVNHMWTVSAFQQHPRTVFVCDEDATLELKVK
TVKYFKGLMLVHNKLVDPLYSIKE
Ligand information
Ligand ID16G
InChIInChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
InChIKeyBRGMHAYQAZFZDJ-PVFLNQBWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
CACTVS 3.341CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O
FormulaC8 H16 N O9 P
Name2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose;
N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE;
N-acetyl-6-O-phosphono-alpha-D-glucosamine;
2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucose;
2-acetamido-2-deoxy-6-O-phosphono-D-glucose;
2-acetamido-2-deoxy-6-O-phosphono-glucose
ChEMBL
DrugBank
ZINCZINC000004097100
PDB chain1ne7 Chain E Residue 5299 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ne7 Two mammalian glucosamine-6-phosphate deaminases: a structural and genetic study.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		M1 H262
Binding residue
(residue number reindexed from 1)		M1 H262
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D72 D141 H143 E148
Catalytic site (residue number reindexed from 1) D72 D141 H143 E148
Enzyme Commision number 3.5.99.6: glucosamine-6-phosphate deaminase.
Gene Ontology
Molecular Function
GO:0004342 glucosamine-6-phosphate deaminase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0016853 isomerase activity
GO:0042802 identical protein binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006043 glucosamine catabolic process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006046 N-acetylglucosamine catabolic process
GO:0006048 UDP-N-acetylglucosamine biosynthetic process
GO:0006091 generation of precursor metabolites and energy
GO:0007338 single fertilization
GO:0019262 N-acetylneuraminate catabolic process
Cellular Component
GO:0005737 cytoplasm
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:1ne7, PDBe:1ne7, PDBj:1ne7
PDBsum1ne7
PubMed12965206
UniProtP46926|GNPI1_HUMAN Glucosamine-6-phosphate isomerase 1 (Gene Name=GNPDA1)

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