Structure of PDB 7c3d Chain A Binding Site BS01
Receptor Information
>7c3d Chain A (length=343) Species:
756982
(Orbilia oligospora ATCC 24927) [
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PVEFPKSLRASSHSSEGGTTKEEDIYGYELLYRSAFASYIAPTGAWNLVW
FQAADGSIKQARWYGEWVISTVLAPGKALQGTPLTALLWGPQDTVRLYYL
SPQFELQEWCWDTKNGADNKYDGALNAAKVKVAPYSKLGAVSFGGANLRV
YYQGTNNKLEEYTFGGGQGWKKGATLPGDPLPGTYISFVNRNKWDANPPS
IRGYFQTVTGSLAEQVWETGGWRIGQFVIPAAPFLTPISATVSPEKDFPK
IHVYWLSVESTIIESVNWHGWKAPKQIDNISVVKADISATSFTRDDGTVD
VRIYGTAQLNVLFERIFRYGVWEEKIHSISVGKEIPIEVVGVA
Ligand information
Ligand ID
SEJ
InChI
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m1/s1
InChIKey
SRBFZHDQGSBBOR-SQOUGZDYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
C1C(C(C(C(O1)O)O)O)O
CACTVS 3.385
O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7
C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.385
O[C@@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O
Formula
C5 H10 O5
Name
beta-D-arabinopyranose;
beta-D-arabinose;
D-arabinose;
arabinose
ChEMBL
DrugBank
ZINC
ZINC000001532588
PDB chain
7c3d Chain A Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
7c3d
Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Resolution
1.596 Å
Binding residue
(original residue number in PDB)
R97 E109 A125 L149 F165 W171
Binding residue
(residue number reindexed from 1)
R96 E108 A124 L148 F164 W170
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:7c3d
,
PDBe:7c3d
,
PDBj:7c3d
PDBsum
7c3d
PubMed
32698064
UniProt
G1XA82
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