Structure of PDB 8eym Chain B Binding Site BS02

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 ID16G
InChIInChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
InChIKeyBRGMHAYQAZFZDJ-PVFLNQBWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
CACTVS 3.341CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O
FormulaC8 H16 N O9 P
Name2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose;
N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE;
N-acetyl-6-O-phosphono-alpha-D-glucosamine;
2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucose;
2-acetamido-2-deoxy-6-O-phosphono-D-glucose;
2-acetamido-2-deoxy-6-O-phosphono-glucose
ChEMBL
DrugBank
ZINCZINC000004097100
PDB chain8eym Chain B Residue 401 [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 D54 A74 A75 P77 S78
Binding residue
(residue number reindexed from 1)		R48 D52 A72 A73 P75 S76
Annotation score2
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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