Structure of PDB 6lce Chain A Binding Site BS02
Receptor Information
>6lce Chain A (length=407) Species:
216816
(Bifidobacterium longum) [
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ATAEGIPAKGTDDGTEITLWTRSPLERQAKNVVEAYNKSHKNQVKLEIIP
NDDMEGKVGGASQTDSLPDILAGDVVRIPYWASEGIFTDITKQIDGLDNK
ADLQQGHIEAGTVDGAEYTLPFITDVSVMVWNKNLYKEAGLDPEQGPKSI
DQFVEQAKKVAALNKDGVAGSYLAGQSGGALVFDLFPSVWADGESVMNKD
GSEATLDNDSMKGVLDAYKELANTTNGLGAGSKEETGATWTAPFANGKIG
VMPYPNTSTTALFDAEKDGGFEVGVAPIPGTKEGKTSTFLGGDAMGISKD
SKHVAQAWNFLYWLMQSDAQKEVFADQGDTASNIQTLKTAYKDADPRIQT
INSVIIDGNGQTPKSPAFNEAFNAAGSPWQLLVQNAVWGSGDLKADNKAV
TDVLSAQ
Ligand information
Ligand ID
FUB
InChI
InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m0/s1
InChIKey
HMFHBZSHGGEWLO-KLVWXMOXSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0
C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH]1O
ACDLabs 10.04
OC1C(OC(O)C1O)CO
Formula
C5 H10 O5
Name
beta-L-arabinofuranose;
beta-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBank
ZINC
ZINC000004097027
PDB chain
6lce Chain B Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
6lce
Structural analysis of beta-L-arabinobiose-binding protein in the metabolic pathway of hydroxyproline-rich glycoproteins in Bifidobacterium longum.
Resolution
1.78 Å
Binding residue
(original residue number in PDB)
R56 D108 D159 F217 G325 G326
Binding residue
(residue number reindexed from 1)
R22 D74 D125 F183 G291 G292
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6lce
,
PDBe:6lce
,
PDBj:6lce
PDBsum
6lce
PubMed
32246585
UniProt
A0A0A1GL90
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