Structure of PDB 8zam Chain A Binding Site BS01

Receptor Information

>8zam Chain A (length=246) Species: 3055 (Chlamydomonas reinhardtii)

CYCAGWIESRGTNGAQTASNVLQWLAAGFSILLLMFYAYQTWKSTCGWEE
IYVCAIEMVKVILEFFFEFKNPSMLYLATGHRVQWLRYAEWLLTCPVILI
HLSNLTGLSNDYSRRTMGLLVSDIGTIVWGATSAMATGYVKVIFFCLGLC
YGANTFFHAAKAYIEGYHTVPKGRCRQVVTGMAWLFFVSWGMFPILFILG
PEGFGVLSVYGSTVGHTIIDLMSKNCWGLLGHYLRVLIHEHILIHG

Ligand information

• Ligand ID: L9Q
• InChI: InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1
• InChIKey: JQKOHRZNEOQNJE-VYCVAHKRSA-N
• SMILES:
  CACTVS 3.370: CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
  OpenEye OEToolkits 1.7.0: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
  CACTVS 3.370: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
  OpenEye OEToolkits 1.7.0: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
  ACDLabs 12.01: O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
• Formula: C41 H80 N O8 P
• Name: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate;
  1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
• ZINC: ZINC000058649343
• PDB chain: 8zam Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8zam Channelrhodopsins with distinct chromophores and binding patterns.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T159 G181 A186 F189 F190 A193 Y196 I197 Y200 H201 A216 F220
• Binding residue (residue number reindexed from 1): T126 G148 A153 F156 F157 A160 Y163 I164 Y167 H168 A183 F187
• Annotation score: 1

External links

• PDB: RCSB:8zam, PDBe:8zam, PDBj:8zam
• PDBsum: 8zam
• PubMed: 39181878
• UniProt: Q8RUT8