Structure of PDB 6zxa Chain G Binding Site BS06

Receptor Information

>6zxa Chain G (length=69) Species: 765910 (Marichromatium purpuratum 984)

KVPVMMADESIATINHPEDDWKIWTVINPATWMVPFFGILFVQMWLIHSY
ALSLPGYGFKDSVRVAQPA

Ligand information

• Ligand ID: BCL
• InChI: InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1
• InChIKey: DSJXIQQMORJERS-AGGZHOMASA-M
• SMILES:
  OpenEye OEToolkits 2.0.7: CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C
  CACTVS 3.385: [Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
  CACTVS 3.385: [Mg++].CC[C@@H]1[C@@H](C)C2=Cc3[n-]c(C=C4N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[C@@H]5C(=O)OC)C)c(C)c3C(C)=O
  OpenEye OEToolkits 2.0.7: CCC1C(C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C
• Formula: C55 H74 Mg N4 O6
• Name: BACTERIOCHLOROPHYLL A
• DrugBank: DB01853
• PDB chain: 6zxa Chain H Residue 103

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zxa The 2.4 angstrom cryo-EM structure of a heptameric light-harvesting 2 complex reveals two carotenoid energy transfer pathways.
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): Q44 I48 H49 Y58
• Binding residue (residue number reindexed from 1): Q43 I47 H48 Y57
• Annotation score: 4

External links

• PDB: RCSB:6zxa, PDBe:6zxa, PDBj:6zxa
• PDBsum: 6zxa
• PubMed: 33579696
• UniProt: W0E6A1