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MolNFT v1 · #141769 · protein

Crystal structure of the red light-activated channelrhodopsin chrimson.

5ZIH · Sensory opsin A,CHRIMSON: “Crystal structure of the red light-activated channelrhodopsin chrimson.”. X-ray diffraction, 10 pockets (best druggability 0.64). MolNFT v1 #141769 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5ZIH
Type
protein
Length
564 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sensory opsin A,CHRIMSON
UniProt
Q8L435
Pockets
10 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASensory opsin A,CHRIMSONprotein27965% helix, 9% strandQ8L435
BSensory opsin A,CHRIMSONprotein28564% helix, 9% strandQ8L435

Ligands and binding sites

  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 19 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11620.640.8520OLC
21880.620.8226OLC
31950.560.7933empty
41220.510.8121empty
52630.510.7428OLC

Interfaces

1 interface between chains.

  • A–B · 2090 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 2 modified (disulfide, nonstandard).

Compared structures

  • 5ZIH · Crystal structure of the red light-activated channelrhodopsin Chrimson. · the same entry in another collection · chain A against A, TM-score 1.00

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