Structure of PDB 5rjq Chain A Binding Site BS01

Receptor Information
>5rjq Chain A (length=119) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFAT
VRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFFE
EHISSVLSDYKSALRFHKR
Ligand information
Ligand IDHHT
InChIInChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyRNRCAQYXOAHKGD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(Br)ccc1CC(O)=O
OpenEye OEToolkits 2.0.6COc1cc(ccc1CC(=O)O)Br
FormulaC9 H9 Br O3
Name2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
ChEMBL
DrugBank
ZINCZINC000079362741
PDB chain5rjq Chain A Residue 1501 [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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PDB5rjq PanDDA analysis group deposition of ground-state model
Resolution1.35 Å
Binding residue
(original residue number in PDB)		L1331 C1335 D1337 R1409 F1413
Binding residue
(residue number reindexed from 1)		L16 C20 D22 R94 F98
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5rjq, PDBe:5rjq, PDBj:5rjq
PDBsum5rjq
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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