Structure of PDB 8eym Chain B Binding Site BS03

Receptor Information
>8eym Chain B (length=331) 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
LQRFYIDVAAVAIALGINPDKPAGLKKVTQT
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 chain8eym Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8eym Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Resolution2.311 Å
Binding residue
(original residue number in PDB)		R50 S52 S98 Q99 S100 A150 A151 K225 E228
Binding residue
(residue number reindexed from 1)		R48 S50 S96 Q97 S98 A148 A149 K223 E226
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:8eym, PDBe:8eym, PDBj:8eym
PDBsum8eym
PubMed37145875
UniProtQ12KP2

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