Structure of PDB 7lr6 Chain A Binding Site BS01
Receptor Information
>7lr6 Chain A (length=424) Species:
548480
(Bifidobacterium longum subsp. longum ATCC 55813) [
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HMKFGVNYTPSHGWFHAWLDPDWDGIDNDLKQISELGMDHVRIFPIWPYL
QPNRTWINKKGVADVRRMVHIAGEHGLDAYVDVFQGHLSSFDFLPSWLVT
WHAGNMFTDADAVAAERELVKTMTDELSKEPAFKGLTLGNAVNQLSDRPH
PTKMSATDRQIDAWLDALLPTAAGEGHNALYSVNDGTWFIDGHPFTPVQS
ATKGDMTVIHSWVFNGIAQGYGATSEECSSYALYLAELAKAFGKDSERPV
WLQEVGAPENVLETDYTPEFCRKTVERAMDCRNLWGVTWWCSHDVPASME
DFPFFEHSLGLFDEQGQLKPIGRTFGELAAQYRSALPAQPKTVAVVIDVD
EAGNPVNRSALGPGGSVCDLWMKLQVAGQRPTIITSQVAANQEALAQRGI
LELHADEHPYAARYYTAVSDPSFE
Ligand information
Ligand ID
BMA
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKey
WQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
beta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINC
ZINC000003830679
PDB chain
7lr6 Chain E Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
7lr6
N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
L87 S88 N139 W211 E253 W289 F304 E305
Binding residue
(residue number reindexed from 1)
L88 S89 N140 W212 E254 W290 F305 E306
Annotation score
4
External links
PDB
RCSB:7lr6
,
PDBe:7lr6
,
PDBj:7lr6
PDBsum
7lr6
PubMed
33764747
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