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Crystal structure of jumping spider rhodopsin-1 bound to 9-cis retinal

Analyse Crystal structure of jumping spider rhodopsin-1 bound to 9-cis retinal in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6I9K
Type
protein
Length
310 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
KUMOPSIN1
UniProt
B1B1U5
Ligands
RET
Pockets
2 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKUMOPSIN1protein31078% helix, 2% strandB1B1U5

Ligands and binding sites

  • RET · Retinal · ligand · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 11 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11710.840.9829RET
22270.530.7731empty

Modifications

Observed in the structure: 1 cofactor, 1 disulfide (retinal Schiff base, disulfide).

Compared structures

  • 6I9K · Crystal structure of Jumping Spider Rhodopsin-1 bound to 9-cis retinal · the same entry in another collection · chain A against A, TM-score 1.00

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