MolNFT v1 · #91393 · protein

Crystal structure of deltarhodopsin from haloterrigena thermotolerans

4FBZ: “Crystal structure of deltarhodopsin from haloterrigena thermotolerans”. X-ray diffraction, 6 ligands (BNG, RET, 22B), 1 pocket (best druggability 0.81). MolNFT v1 #91393 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4FBZ
Type: protein
Length: 238 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Deltarhodopsin
Ligands: BNG, RET, 22B, SQL, L2P, SO4
Pockets: 1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Deltarhodopsin	protein	238	75% helix, 3% strand	—

Ligands and binding sites

BNG · nonyl beta-D-glucopyranoside · ligand · 2 copies · chains A
RET · Retinal · ligand · chains A
22B · Bacterioruberin · ligand · chains A
SQL · (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2, 6,10,14,18,22-hexaene · ligand · chains A
L2P · 2,3-di-phytanyl-glycerol · ligand · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	143	0.81	0.97	22	RET

Modifications

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

Compared structures

4FBZ · Crystal structure of deltarhodopsin from Haloterrigena thermotolerans · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 4FBZ · PDBe 4FBZ

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