Structure of PDB 6zzy Chain J Binding Site BS04

Receptor Information

>6zzy Chain J (length=41) Species: 2649997 (Chlorella ohadii)

MKDFTTYLSTAPVLTLLSVTVVAGLLIEINRFFPDALIAAF

Ligand information

• Ligand ID: RRX
• InChI: InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
• InChIKey: DMASLKHVQRHNES-FKKUPVFPSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
  CACTVS 3.385: CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C
  CACTVS 3.385: CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C
  OpenEye OEToolkits 1.7.6: 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/C2=C(C[C@H](CC2(C)C)O)C)/C)/C
  ACDLabs 12.01: OC2CC(=C(\C=C\C(=C\C=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)C2)C
• Formula: C40 H56 O
• Name: (3R)-beta,beta-caroten-3-ol;
  beta-Cryptoxanthin
• DrugBank: DB15914
• ZINC: ZINC000004097702
• PDB chain: 6zzy Chain J Residue 4002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zzy Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
• Resolution: 3.16 Å
• Binding residue (original residue number in PDB): Y26 P31 V32 L35 I46 E47 R50
• Binding residue (residue number reindexed from 1): Y7 P12 V13 L16 I27 E28 R31
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0015979 photosynthesis

Cellular Component

• GO:0009507 chloroplast
• GO:0009522 photosystem I
• GO:0009535 chloroplast thylakoid membrane
• GO:0009579 thylakoid
• GO:0016020 membrane

External links

• PDB: RCSB:6zzy, PDBe:6zzy, PDBj:6zzy
• PDBsum: 6zzy
• PubMed: 34462576
• UniProt: W8SUD1