Structure of PDB 8fdb Chain A Binding Site BS02

Receptor Information
>8fdb Chain A (length=332) Species: 318161 (Shewanella denitrificans OS217) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTNTIMEQEARTAPQKIAEQLLANDAITESLGSVLREFKPKFVMIVGRGS
SDHAGVFAKYLFEIEASIPTFAAAPSVASVYGKTLKLAGGLVIVISQSGR
SPDILAQARMAKNAGAFCVALVNDETAPIKDIVDVVIPLRAGEEKAVAAT
KSYLATLSALLQVAAKWTQNESLVEAVNSLPQALQAAVDAEPQLRAGSLT
DVKNLVVLGRGFGYAVSKEIALKLKEVCAIHAEAFSSAEFLHGPVTLVEK
KLSILDVCIRDESYGSHVEQIANVKQRGANLIHLHQTSADIHPRIAPLAL
LQRFYIDVAAVAIALGINPDKPAGLKKVTQTL
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 chain8fdb Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8fdb Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Resolution3.06 Å
Binding residue
(original residue number in PDB)		R49 D53 A75 P76 S77
Binding residue
(residue number reindexed from 1)		R48 D52 A74 P75 S76
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.16: glutamine--fructose-6-phosphate transaminase (isomerizing).
Gene Ontology
Molecular Function
GO:0004360 glutamine-fructose-6-phosphate transaminase (isomerizing) activity
GO:0008483 transaminase activity
GO:0097367 carbohydrate derivative binding
Biological Process
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fdb, PDBe:8fdb, PDBj:8fdb
PDBsum8fdb
PubMed37145875
UniProtQ12KP2

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