Structure of PDB 7c38 Chain B Binding Site BS04
Receptor Information
>7c38 Chain B (length=343) Species:
756982
(Orbilia oligospora ATCC 24927) [
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PVEFPKSLRASSHSSEGGTTKEEDIYGYELLYRSAFASYIAPTGAWNLVW
FQAADGSIKQARWYGEWVISTVLAPGKALQGTPLTALLWGPQDTVRLYYL
SPQFELQEWCWDTKNGADNKYDGALNAAKVKVAPYSKLGAVSFGGANLRV
YYQGTNNKLEEYTFGGGQGWKKGATLPGDPLPGTYISFVNRNKWDANPPS
IRGYFQTVTGSLAEQVWETGGWRIGQFVIPAAPFLTPISATVSPEKDFPK
IHVYWLSVESTIIESVNWHGWKAPKQIDNISVVKADISATSFTRDDGTVD
VRIYGTAQLNVLFERIFRYGVWEEKIHSISVGKEIPIEVVGVA
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
7c38 Chain B Residue 404 [
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Receptor-Ligand Complex Structure
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PDB
7c38
Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Resolution
1.2 Å
Binding residue
(original residue number in PDB)
R192 R203 E215 Q227 W272
Binding residue
(residue number reindexed from 1)
R191 R202 E214 Q226 W271
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:7c38
,
PDBe:7c38
,
PDBj:7c38
PDBsum
7c38
PubMed
32698064
UniProt
G1XA82
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