Structure of PDB 1hor Chain A Binding Site BS01

Receptor Information
>1hor Chain A (length=266) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLIPLTTAEQVGKWAARHIVNRINAFKPTADRPFVLGLPTGGTPMTTYK
ALVEMHKAGQVSFKHVVTFNMDEYVGLPKEHPESYYSFMHRNFFDHVDIP
AENINLLNGNAPDIDAECRQYEEKIRSYGKIHLFMGGVGNDGHIAFNEPA
SSLASRTRIKTLTHDTRVANSRFFDNDVNQVPKYALTVGVGTLLDAEEVM
ILVLGSQKALALQAAVEGCVNHMWTISCLQLHPKAIMVCDEPSTMELKVK
TLRYFNELEAENIKGL
Ligand information
Ligand IDAGP
InChIInChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKeyLBNVXZROMBUNNQ-SLPGGIOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O
CACTVS 3.341N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)N)O
CACTVS 3.341N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(N)CO
FormulaC6 H16 N O8 P
Name2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE
ChEMBLCHEMBL396380
DrugBankDB02445
ZINCZINC000003870803
PDB chain1hor Chain A Residue 268 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hor Structure and catalytic mechanism of glucosamine 6-phosphate deaminase from Escherichia coli at 2.1 A resolution.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P40 T41 G42 G43 T44 M71 D72 G137 V138 H143 A145 F146 K208
Binding residue
(residue number reindexed from 1)		P40 T41 G42 G43 T44 M71 D72 G137 V138 H143 A145 F146 K208
Annotation score1
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: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:0019262 N-acetylneuraminate catabolic process
Cellular Component
GO:0005737 cytoplasm
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:1hor, PDBe:1hor, PDBj:1hor
PDBsum1hor
PubMed8747459
UniProtP0A759|NAGB_ECOLI Glucosamine-6-phosphate deaminase (Gene Name=nagB)

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