Structure of PDB 7t8s Chain I Binding Site BS02

Receptor Information

>7t8s Chain I (length=172) Species: 233184 (Cryptomonas pyrenoidifera)

ALDAFSKVAKAAYVGGADLQALKKFISEGNKRLDAVNSIVSNASCIVSDA
VSGMICENPSLISPSGNCYTNRRMAACLRDGEIILRYVSYALLSGDSSVL
EDRCLNGLKETYSSLGVPANSNARAVSIMKACAVAFVNNTASQRKLSTPQ
GDCSALASEVAGYFDKVSAAIG

Ligand information

• Ligand ID: KPX
• InChI: InChI=1S/C33H38N4O6/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/h8-9,11,14-15,19-20,26,34H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
• InChIKey: DELSVXYVYXKOJW-GUEBWASOSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC[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)/C=C/C(=O)O)/C(=C2C)CCC(=O)O)C
  OpenEye OEToolkits 2.0.7: CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)C=C)C)C)C=CC(=O)O)C(=C2C)CCC(=O)O)C
  CACTVS 3.385: CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3C=CC(O)=O)C(=C2C)CCC(O)=O
  ACDLabs 12.01: O=C(O)CCC1=C(C)C(/C=C2\NC(=O)C(C)C2CC)=N/C1=C\c1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1/C=C/C(=O)O
  CACTVS 3.385: CC[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)C=C)c(C)c3/C=C/C(O)=O)C(=C2C)CCC(O)=O
• Formula: C33 H38 N4 O6
• Name: Bilin 584 (single 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-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
• PDB chain: 7t8s Chain I Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7t8s Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): K29 N36 K37 L39 D40 V143 T154 P155 G157 C159
• Binding residue (residue number reindexed from 1): K23 N30 K31 L33 D34 V137 T148 P149 G151 C153
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0015979 photosynthesis

Cellular Component

• GO:0009536 plastid
• GO:0030089 phycobilisome

External links

• PDB: RCSB:7t8s, PDBe:7t8s, PDBj:7t8s
• PDBsum: 7t8s
• PubMed: 36721353
• UniProt: A0A222AH92