Structure of PDB 8fdb Chain B Binding Site BS01

Receptor Information
>8fdb Chain B (length=333) Species: 318161 (Shewanella denitrificans OS217) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTTNTIMEQEARTAPQKIAEQLLANDAITESLGSVLREFKPKFVMIVGRG
SSDHAGVFAKYLFEIEASIPTFAAAPSVASVYGKTLKLAGGLVIVISQSG
RSPDILAQARMAKNAGAFCVALVNDETAPIKDIVDVVIPLRAGEEKAVAA
TKSYLATLSALLQVAAKWTQNESLVEAVNSLPQALQAAVDAEPQLRAGSL
TDVKNLVVLGRGFGYAVSKEIALKLKEVCAIHAEAFSSAEFLHGPVTLVE
KKLSILDVCIRDESYGSHVEQIANVKQRGANLIHLHQTSADIHPRIAPLA
LLQRFYIDVAAVAIALGINPDKPAGLKKVTQTL
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)		Y61 R211 Y215 S237
Binding residue
(residue number reindexed from 1)		Y61 R211 Y215 S237
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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