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Receptor Information

>1ne7 Chain E (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 ID

16G

InChI

InChI=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

InChIKey

BRGMHAYQAZFZDJ-PVFLNQBWSA-N

SMILES

Software	SMILES
CACTVS 3.341	CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O
ACDLabs 10.04	O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
CACTVS 3.341	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O

Formula

C8 H16 N O9 P

Name

2-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

PDB chain

1ne7 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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Structure summary

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PDB	1ne7 Two mammalian glucosamine-6-phosphate deaminases: a structural and genetic study.
Resolution	1.75 Å
Binding residue (original residue number in PDB)	S151 S152 R158 V159 K160 T161
Binding residue (residue number reindexed from 1)	S151 S152 R158 V159 K160 T161
Annotation score	2

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.

	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

PDB	RCSB:1ne7, PDBe:1ne7, PDBj:1ne7
PDBsum	1ne7
PubMed	12965206
UniProt	P46926\|GNPI1_HUMAN Glucosamine-6-phosphate isomerase 1 (Gene Name=GNPDA1)

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Structure of PDB 1ne7 Chain E Binding Site BS02