Structure of PDB 7lr6 Chain C Binding Site BS01
Receptor Information
>7lr6 Chain C (length=423) Species:
548480
(Bifidobacterium longum subsp. longum ATCC 55813) [
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HMKFGVNYTPSHGWFHAWLDPDWDGIDNDLKQISELGMDHVRIFPIWPYL
QPNRTWINKKGVADVRRMVHIAGEHGLDAYVDVFQGHLSSFDFLPSWLVT
WHAGNMFTDADAVAAERELVKTMTDELSKEPAFKGLTLGNAVNQLSDRPH
PTKMSATDRQIDAWLDALLPTAAGEGHNALYSVNDGTWFIDGHPFTPVQS
ATKGDMTVIHSWVFNGIAQGYGATSEECSSYALYLAELAKAFGKDSERPV
WLQEVGAPENVLETDYTPEFCRKTVERAMDCRNLWGVTWWCSHDVPASME
DFPFFEHSLGLFDEQGQLKPIGRTFGELAAQYRSALPAQPKTVAVVIDVD
EAGNPVNRSALGPGGSVCDLWMKLQVAGQRPTIITSQVAANQEALAQRGI
LELHADEHPYAARYYTAVSDPSF
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 H 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)
S88 N139 W211 E253 W289 E305
Binding residue
(residue number reindexed from 1)
S89 N140 W212 E254 W290 E306
Annotation score
4
External links
PDB
RCSB:7lr6
,
PDBe:7lr6
,
PDBj:7lr6
PDBsum
7lr6
PubMed
33764747
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