Structure of PDB 6kqs Chain A Binding Site BS01

Receptor Information
>6kqs Chain A (length=620) Species: 1256908 (Eubacterium ramulus ATCC 29099) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQQEIYAAYRVANLLGVYEDCSPNGFYQRWKQKNAFMKAQAEEFGIGSTD
HFIDDVERIVDQRRAETEWKNADAWKNGTAAFGARYLTPEMYLDYELKSI
QLAFATYKGELVGNHKCHVYTEDEKRAFYDANQDLFTRYHGDLFSYEEVD
LIIEKWLKVQEYQDIIESVVANTDNAVRWITEFEKIWNQMQEEKRLREGH
CYYVSSIHGDDANDGTEDQPLKSLYAVNRLDLQPGDQVLLERGSVFENQF
LHLNVQGTKEQPIYIGAYGNGAKPLIQTNGQGIWYQDYGNELDAPTHVYR
GYVSSAVLLYDCEYLTVENLEISNKGGVFGETYSAPHKMNRTGVAGIAKN
RGTLHEIHLSNLYIHDVEGNVYDKHMNNGGIYFTCLKPEAEEKTGVARYE
NVSVRGCHLKRTSRWGIAVGYSYKCKEFMTAELPDELFERYGHHNIYIAD
NYVEEIGGDGITVMYAMKPLVEYNSGDSCALEMNDRYYTEPEDRAGKVAA
GIWPWKCKDALLTYNEMRDMRLNQDSMAWDADSGDGTLYQYNYSHLNEGG
CVMFCLEEAIHNEFRYNVSVDDLGGLISPSGNPDAWIHHNVFYRRAEVPF
VRPHMDDGKYVAEENEIHLI
Ligand information
Ligand IDGAL
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6kqs Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6kqs Butyrate producing colonic Clostridiales metabolise human milk oligosaccharides and cross feed on mucin via conserved pathways.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D336 H340 K417 H418 Y464 W548
Binding residue
(residue number reindexed from 1)		D293 H297 K374 H375 Y421 W505
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links