Structure of PDB 1fqo Chain B Binding Site BS02

Receptor Information
>1fqo Chain B (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 IDF6R
InChIInChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
InChIKeyGSXOAOHZAIYLCY-HSUXUTPPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O
ACDLabs 12.01C(C(C(C(C(COP(O)(O)=O)O)O)O)=O)O
OpenEye OEToolkits 1.7.6C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O
CACTVS 3.385OCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
FormulaC6 H13 O9 P
NameFRUCTOSE -6-PHOSPHATE
ChEMBL
DrugBankDB04493
ZINCZINC000085994845
PDB chain1fqo Chain B Residue 2268 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fqo Structural flexibility, an essential component of the allosteric activation in Escherichia coli glucosamine-6-phosphate deaminase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		P40 T41 G42 G43 T44 D72 G137 H143 A145
Binding residue
(residue number reindexed from 1)		P40 T41 G42 G43 T44 D72 G137 H143 A145
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:1fqo, PDBe:1fqo, PDBj:1fqo
PDBsum1fqo
PubMed11752775
UniProtP0A759|NAGB_ECOLI Glucosamine-6-phosphate deaminase (Gene Name=nagB)

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