Structure of PDB 4aw7 Chain A Binding Site BS03

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 B Residue 3 [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)		F77 H114 W331
Binding residue
(residue number reindexed from 1)		F52 H89 W299
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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