Structure of PDB 8wcl Chain 6 Binding Site BS09

Receptor Information

>8wcl Chain 6 (length=165) Species: 240364 (Chaetoceros neogracilis)

ELEDGIGAVAPLGYFDPLGYIKDEETFIRYRAVERKHGRVAMMAMLGTFV
HNNGWTFDGYLSPSQGLKFSDIDSGIGGLFQVPPAGLAQIILLCGFVELA
WWPASNLSGDYGVRLGTLNDWEEQPAKYYRQKNAELNNGRAAMMGILGTF
THEVITGQNFAEQAA

Ligand information

• Ligand ID: KC2
• InChI: InChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-14,31H,1-2H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b11-10+,22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1
• InChIKey: QDRBYWCRXZZVLY-QIEHNWLWSA-L
• SMILES:
  OpenEye OEToolkits 2.0.6: Cc1c2cc3nc(c4c5c(c(c6n5[Mg]n2c(c1C=C)cc7nc(c6)C(=C7C)C=C)C)C(=O)C4C(=O)OC)C(=C3C)C=CC(=O)O
  CACTVS 3.385: COC(=O)[C@H]1C(=O)c2c(C)c3/C=C/4N=C(/C=C5\[N@]\6[Mg]n3c2/C1=C/7N=C(\C=C\6C(=C5C=C)C)C(=C/7/C=C/C(O)=O)C)C(=C/4C=C)C
  OpenEye OEToolkits 2.0.6: Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O
  CACTVS 3.385: COC(=O)[CH]1C(=O)c2c(C)c3C=C4N=C(C=C5[N]6[Mg]n3c2C1=C7N=C(C=C6C(=C5C=C)C)C(=C7C=CC(O)=O)C)C(=C4C=C)C
  ACDLabs 12.01: N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)\C=C\C(=O)O)=O)[Mg]6)N=7)\C=C)C)\C=C)C
• Formula: C35 H28 Mg N4 O5
• Name: Chlorophyll c2
• PDB chain: 8wcl Chain 6 Residue 309

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8wcl Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): L93 S94 P95 S96 P115 A117 G118 Q121 I122 L125
• Binding residue (residue number reindexed from 1): L61 S62 P63 S64 P83 A85 G86 Q89 I90 L93
• Annotation score: 1

External links

• PDB: RCSB:8wcl, PDBe:8wcl, PDBj:8wcl
• PDBsum: 8wcl
• PubMed: 39030906