Structure of PDB 6mhi Chain A Binding Site BS01

Receptor Information
>6mhi Chain A (length=125) Species: 1053 (Halorhodospira halophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEHVAFGSEDIENTLAKMDDGQLDGLAFGAIQLDGDGNILQYNAAEGDIT
GRDPKQVIGKNFFKDVAPCTDSPEFYGKFKEGVASGNLNTMFEYTFDYQM
TPTKVKVHMKKALSGDSYWVFVKRV
Ligand information
Ligand IDYYZ
InChIInChI=1S/C9H6Cl2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H,12,13)/b2-1+
InChIKeyYCWRKUFHHMQSOU-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(cc(c(c1Cl)O)Cl)/C=C/C(=O)O
ACDLabs 12.01C([C@H]=Cc1cc(Cl)c(O)c(c1)Cl)(O)=O
CACTVS 3.385OC(=O)C=Cc1cc(Cl)c(O)c(Cl)c1
OpenEye OEToolkits 2.0.6c1c(cc(c(c1Cl)O)Cl)C=CC(=O)O
CACTVS 3.385OC(=O)/C=C/c1cc(Cl)c(O)c(Cl)c1
FormulaC9 H6 Cl2 O3
Name(2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid
ChEMBL
DrugBank
ZINCZINC000033847518
PDB chain6mhi Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mhi Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		I31 Y42 E46 T50 R52 F62 A67 P68 C69 F96
Binding residue
(residue number reindexed from 1)		I31 Y42 E46 T50 R52 F62 A67 P68 C69 F96
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009881 photoreceptor activity
GO:0042802 identical protein binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0007602 phototransduction

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Molecular Function
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Biological Process
External links
PDB RCSB:6mhi, PDBe:6mhi, PDBj:6mhi
PDBsum6mhi
PubMed31117606
UniProtP16113|PYP_HALHA Photoactive yellow protein (Gene Name=pyp)

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