Structure of PDB 7dwq Chain M Binding Site BS02

Receptor Information

>7dwq Chain M (length=30) Species: 329726 (Acaryochloris marina MBIC11017)

MELSDLQIVIALVVALLPALLALNLGSALS

Ligand information

• Ligand ID: 8CT
• InChI: InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11-,19-13-,20-14-,27-25+,28-26+,31-17+,32-18-,33-21+,34-22+/t37-/m0/s1
• InChIKey: ANVAOWXLWRTKGA-GZSHKXEASA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
  CACTVS 3.385: CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C
  OpenEye OEToolkits 2.0.6: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)/C
  ACDLabs 12.01: CC=1CCCC(C=1[C@H]=[C@H]C(=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C2C(C)=CCCC2(C)C)C)(C)C
  CACTVS 3.385: CC(=C/C=C\C=C(C)/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)\C=C/C=C(C)/C=C/[C@H]2C(=CCCC2(C)C)C
• Formula: C40 H56
• Name: (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene
• PDB chain: 7dwq Chain M Residue 4021

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7dwq A unique photosystem I reaction center from a chlorophyll d-containing cyanobacterium Acaryochloris marina.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): V9 L12 V13 A15 L16 A19
• Binding residue (residue number reindexed from 1): V9 L12 V13 A15 L16 A19
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0015979 photosynthesis

Cellular Component

• GO:0009522 photosystem I
• GO:0009579 thylakoid
• GO:0016020 membrane
• GO:0031676 plasma membrane-derived thylakoid membrane
• GO:0042651 thylakoid membrane

External links

• PDB: RCSB:7dwq, PDBe:7dwq, PDBj:7dwq
• PDBsum: 7dwq
• PubMed: 34002536
• UniProt: B0C4H4