Structure of PDB 4aw7 Chain A Binding Site BS06

Receptor Information
>4aw7 Chain A (length=565) Species: 310297 (Phocaeicola plebeius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMASVDYNTRRFLSGVSELDRSKYFNIHSTSDDDKDVGKFLADYQVGLGR
KFWGPYSYAYNKTHEVGKYPQMKPYSGNISVKRYIATEHPYVQHIQGGID
VQAAGAWSAEYYSNSELVPEFFEPLNEPFVHANDAGFTVQGQAMRELMVD
FYASIGKHIHNNPRLNGKMKVIGYAAAYPAWEDGNFNYWNTRMKMFIDRA
GAYMDGFSVHLYDGITKRSGSNSEAVLDMVEAYSYIKFGHVKPLAISEFG
GIDNKPDDSYDDISSVRSVSSFNHFLFNLMERQDNLFISIPFVSDKAEWH
ITAANNYTSYSAALFIPDNPQNLKNTTWRLNDKKYFFELWKNVKGERVDI
TSSNPDIQVQAFKDGGRLYIALDNLDDNPQTVYLNNKNSWKDVSNVTKRS
LYVNYNAGIEYTEQNVPSMPESISIVPNQTIVLVADVSSAFTNSIIRNKY
YSSEYLKPISAGSSLSFPFTGIESGSGRASLRMSIGRPVSASKKPVVKIN
GTAVSVPDNWKGYGQSNRNIFFGMIEVPFDIQLLKNGDNNVDITFSDGGG
HVSSMILQVEKYTVS
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 chain4aw7 Chain A Residue 1609 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4aw7 Bacteria of the human gut microbiome catabolize red seaweed glycans with carbohydrate-active enzyme updates from extrinsic microbes.
Resolution1.33 Å
Binding residue
(original residue number in PDB)		N151 E152 Y237 E279 F324
Binding residue
(residue number reindexed from 1)		N126 E127 Y212 E248 F292
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.178: beta-porphyranase.
External links
PDB RCSB:4aw7, PDBe:4aw7, PDBj:4aw7
PDBsum4aw7
PubMed23150581
UniProtB5CY96|PORA_PHOPM Beta-porphyranase A (Gene Name=BACPLE_01693)

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