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MolNFT v1 · #93983 · protein

Crystal structure of rhodobacter sphaeroides lov protein

4HJ3: “Crystal structure of rhodobacter sphaeroides lov protein”. X-ray diffraction, 1 ligand (FMN), 4 pockets (best druggability 0.73). MolNFT v1 #93983 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4HJ3
Type
protein
Length
351 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lov protein
Ligands
FMN
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALov proteinprotein17545% helix, 21% strand—
BLov proteinprotein17645% helix, 22% strand—

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11770.730.9024FMN
21730.730.9022FMN
3940.560.8518empty
4790.480.8316empty

Interfaces

1 interface between chains.

  • A–B · 1187 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 4HJ3 · Crystal Structure of Rhodobacter Sphaeroides LOV protein · the same entry in another collection · chain A against A, TM-score 1.00

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