Structure of PDB 1xf6 Chain A Binding Site BS01

Receptor Information
>1xf6 Chain A (length=76) Species: 79257 (Rhodomonas sp. CS24) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMDKSAKAPQITIFDHRGCSRAPKESTGGKAGGQDDEMMVKVASTKVTVS
ESDAAKKLQEFITFEKGIDGPFTSKN
Ligand information
Ligand IDDBV
InChIInChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,26,35H,1-2,9-13H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1
InChIKeyZQHDSLZHMAUUQK-ZTYGKHTCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C)C=C)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)C=C)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O
CACTVS 3.341CC1=C(C=C)C(=O)N[CH]1CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C=C)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
CACTVS 3.341CC1=C(C=C)C(=O)N[C@@H]1CC2=N\C(=C/c3[nH]c(\C=C4/NC(=O)C(=C4C=C)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
FormulaC33 H36 N4 O6
Name15,16-DIHYDROBILIVERDIN
ChEMBL
DrugBank
ZINCZINC000056871439
PDB chain1xf6 Chain A Residue 219 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xf6 Developing a structure-function model for the cryptophyte phycoerythrin 545 using ultrahigh resolution crystallography and ultrafast laser spectroscopy
Resolution1.1 Å
Binding residue
(original residue number in PDB)		F14 C19 R21 P23 E25 S26 E37 M38 M39 K41
Binding residue
(residue number reindexed from 1)		F14 C19 R21 P23 E25 S26 E37 M38 M39 K41
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:1xf6, PDBe:1xf6, PDBj:1xf6
PDBsum1xf6
PubMed15504407
UniProtQ00433|PHE3_RHDS2 Phycoerythrin alpha-3 chain, chloroplastic (Gene Name=cpeA3)

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