Structure of PDB 8b61 Chain A Binding Site BS01

Receptor Information
>8b61 Chain A (length=197) Species: 272559 (Bacteroides fragilis NCTC 9343) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDGKTLPRKSGYTTGVTNDWIYFNLRTGEIFNALGVNRDIKEGGQMNRTD
WDLAFCGYVMRTNSGTSGIGRGGAADLGYGNYENWTSVAQLPSDLKWVED
NQEVYVTMSQNDWNHYLIENGLDFNSNPWFDPNNGPQKTTTNANPVLAQA
MSFAGPPPVYTPSYHTYVVRTADGKHYFKIQIISWGRLSYYCDELQP
Ligand information
Ligand IDP7W
InChIInChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyROTJZTYLACIJIG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C(CC(=O)O)C(CCC(=O)O)C(=O)O
CACTVS 3.385OC(=O)CCC(CCC(O)=O)C(O)=O
FormulaC8 H12 O6
Namepentane-1,3,5-tricarboxylic acid
ChEMBL
DrugBank
ZINCZINC000001690029
PDB chain8b61 Chain A Residue 303 [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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PDB8b61 Bacteroides fragilis expresses three proteins similar to Porphyromonas gingivalis HmuY: Hemophore-like proteins differentially evolved to participate in heme acquisition in oral and gut microbiomes.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		W143 Y146 T169
Binding residue
(residue number reindexed from 1)		W113 Y116 T139
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links