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Structure of PDB 7t8s Chain A Binding Site BS04

Receptor Information
>7t8s Chain A (length=171) Species: 233184 (Cryptomonas pyrenoidifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALDAFSKAKAAYVGGADLQALKKFISEGNKRLDAVNSIVSNASCIVSDAV
SGMICENPSLISPSGNCYTNRRMAACLRDGEIILRYVSYALLSGDSSVLE
DRCLNGLKETYSSLGVPANSNARAVSIMKACAVAFVNNTASQRKLSTPQG
DCSALASEVAGYFDKVSAAIG
Ligand information
Ligand IDKQ6
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/h9,11,14-15,19-20,26,34H,7-8,10,12-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
InChIKeyKXOMFZIVZHIPRO-GUEBWASOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)CC)c(C)c3C=CC(O)=O)C(=C2C)CCC(O)=O
ACDLabs 12.01O=C(O)CCC1=C(C)C(/C=C2\NC(=O)C(C)C2CC)=N/C1=C\c1[NH]c(CC2NC(=O)C(CC)=C2C)c(C)c1/C=C/C(=O)O
OpenEye OEToolkits 2.0.7CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)CC)C)C)C=CC(=O)O)C(=C2C)CCC(=O)O)C
OpenEye OEToolkits 2.0.7CC[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)CC)C)C)/C=C/C(=O)O)/C(=C2C)CCC(=O)O)C
CACTVS 3.385CC[C@@H]/1[C@@H](C)C(=O)NC/1=C/C2=N\C(=C/c3[nH]c(C[C@H]4NC(=O)C(=C4C)CC)c(C)c3/C=C/C(O)=O)C(=C2C)CCC(O)=O
FormulaC33 H40 N4 O6
NameBilin 584 (doubly linked);
(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
ChEMBL
DrugBank
ZINC
PDB chain7t8s Chain C Residue 203 [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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PDB7t8s Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q149 K151
Binding residue
(residue number reindexed from 1)		Q142 K144
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009536 plastid
GO:0030089 phycobilisome

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Biological Process
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Cellular Component
External links

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