Structure of PDB 6teq Chain C Binding Site BS01

Receptor Information
>6teq Chain C (length=418) Species: 391904 (Bifidobacterium longum subsp. infantis ATCC 15697 = JCM 1222 = DSM 20088) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTAVEFIEPLTHEEGVSQATKLFVDTYGAAPEGVWAAPGRVNLIGEHTDY
NAGLCLPIALPHRTFIALKPREDTKVRVVSGVAPDKVAEADLDGLKARGV
DGWSAYPTGVAWALRQAGFDKVKGFDAAFVSCVPLGSGLSSSAAMTCSTA
LALDDVYGLGYGDSDAGRVTLINAAIKSENEMAGASTGGLDQNASMRCTE
GHALLLDCRPELTPLENVSQQEFDLDKYNLELLVVDTQAPHQLNDGQYAQ
RRATCEEAAKILGVANLRVTADGISKADDQFQALKETLDALPDETMKKRV
RHVVTEIERVRSFVRAFAQGDIKAAGRLFNASHDSLAADYEVTVPELDIA
VDVARKNGAYGARMTGGGFGGSIIALVDKGQGHEIAQKIADRFEKEGFNA
PRALPAFAAASASREAKL
Ligand information
Ligand IDGAF
InChIInChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyZCXUVYAZINUVJD-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)F)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@H]1O
ACDLabs 10.04FC1C(O)C(O)C(OC1O)CO
FormulaC6 H11 F O5
Name2-deoxy-2-fluoro-alpha-D-galactopyranose;
2-DEOXY-2-FLUORO-GALACTOSE;
2-deoxy-2-fluoro-alpha-D-galactose;
2-deoxy-2-fluoro-D-galactose
ChEMBL
DrugBank
ZINCZINC000004329330
PDB chain6teq Chain C Residue 615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6teq Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Resolution1.44 Å
Binding residue
(original residue number in PDB)		E46 H47 D49 Y50 G188 D191 Y248 G367
Binding residue
(residue number reindexed from 1)		E46 H47 D49 Y50 G188 D191 Y248 G367
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.6: galactokinase.
Gene Ontology
Molecular Function
GO:0004335 galactokinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006012 galactose metabolic process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6teq, PDBe:6teq, PDBj:6teq
PDBsum6teq
PubMed32619452
UniProtB7GUI0

[Back to BioLiP]