Structure of PDB 7f86 Chain A Binding Site BS02

Receptor Information
>7f86 Chain A (length=164) Species: 1970092 (Halomicronema sp. R31DM) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKSVVTTVIAAADAAGRFPSSSDLESVQGSIQRSAARLEAAEKLGANLDN
VAQEAYNACIQKYPYLNNAGEANSNDTYKAKCLRDVKHYMRLIQYCLVVG
GTGPLDEWGIAGQREVYRALSLPTAPYVEALSFARNRGCAPRDMSAQALV
EYNALLDYAINSLS
Ligand information
Ligand IDPEB
InChIInChI=1S/C33H40N4O6/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/h8,14-15,19-20,26,34H,2,7,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,29-15-/t19-,20-,26-/m1/s1
InChIKeyNKCBCVIFPXGHAV-WAVSMFBNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C
OpenEye OEToolkits 1.5.0CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C
CACTVS 3.341CC[C@@H]1[C@@H](C)C(=O)N\C1=C/C2=N\C(=C/c3[nH]c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
CACTVS 3.341CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
FormulaC33 H40 N4 O6
NamePHYCOERYTHROBILIN
ChEMBL
DrugBank
ZINCZINC000058633585
PDB chain7f86 Chain A Residue 201 [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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PDB7f86 Crystal structure analysis of phycoerythrin from marine cyanobacterium Halomicronema .
Resolution2.21 Å
Binding residue
(original residue number in PDB)		A72 N73 Y78 K81 C82 R84 D85 H88 W108 V116 Y117 L120 L122 Y127
Binding residue
(residue number reindexed from 1)		A72 N73 Y78 K81 C82 R84 D85 H88 W108 V116 Y117 L120 L122 Y127
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome
GO:0031676 plasma membrane-derived thylakoid membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7f86, PDBe:7f86, PDBj:7f86
PDBsum7f86
PubMed35354393
UniProtA0A1W1IVY1

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