MolNFT v1 · #88298 · protein

Structure of infrared fluorescent protein IFP2.0

4CQH · Bacteriophytochrome: “Structure of infrared fluorescent protein IFP2.0”. X-ray diffraction, 2 ligands (LBV, NA), 2 pockets (best druggability 0.78). MolNFT v1 #88298 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4CQH
Type: protein
Length: 306 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacteriophytochrome
UniProt: Q9RZA4
Ligands: LBV, NA
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bacteriophytochrome	protein	306	30% helix, 28% strand	Q9RZA4

Ligands and binding sites

LBV · 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid · ligand · chains A
NA · Sodium ion · metal · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	477	0.78	0.86	70	LBV, NA
2	151	0.55	0.81	31	empty

Modifications

Observed in the structure: 1 cofactor (biliverdin attachment).

Compared structures

4CQH · Structure of Infrared Fluorescent Protein IFP2.0 · the same entry in another collection · chain A against A, TM-score 1.00
Q9RZA4 · AlphaFold monomer V2.0 prediction for bacteriophytochrome (Q9RZA4) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9RZA4
Elsewhere: RCSB PDB 4CQH · PDBe 4CQH · UniProt Q9RZA4

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