Structure of PDB 7byw Chain A Binding Site BS01
Receptor Information
>7byw Chain A (length=108) Species:
643561
(Paracidovorax avenae ATCC 19860) [
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QRMGMVIGIKPEHIDEYKRLHAAVWPAVLARLAEAHVRNYSIFLREPENL
LFGYWEYHGTDYAADMEAIAQDPETRRWWTFCGPCQEPLASRQPGEHWAH
MEEVFHVD
Ligand information
Ligand ID
FUC
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKey
SHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
Software
SMILES
CACTVS 3.341
C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0
CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341
C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
Formula
C6 H12 O5
Name
alpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBL
CHEMBL1232862
DrugBank
DB04473
ZINC
ZINC000001532814
PDB chain
7byw Chain A Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
7byw
Functional and structural characterization of a novel L-fucose mutarotase involved in non-phosphorylative pathway of L-fucose metabolism.
Resolution
1.75 Å
Binding residue
(original residue number in PDB)
Y18 H22 Y41 W79 W80
Binding residue
(residue number reindexed from 1)
Y17 H21 Y40 W78 W79
Annotation score
4
Binding affinity
MOAD
: Kd=8.9mM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016857
racemase and epimerase activity, acting on carbohydrates and derivatives
View graph for
Molecular Function
External links
PDB
RCSB:7byw
,
PDBe:7byw
,
PDBj:7byw
PDBsum
7byw
PubMed
32448506
UniProt
F0Q4R9
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