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MolNFT v1 · #149485 · protein

Crystal structure of the photosensory core module (pcm) of a bathy phytochrome from agrobacterium fabrum in the pfr state.

6G1Y · Bacteriophytochrome protein: “Crystal structure of the photosensory core module (pcm) of a bathy phytochrome from agrobacterium fabrum in…”. X-ray diffraction, 1 ligand (EL5), 12 pockets (best druggability 0.83). MolNFT v1 #149485…

PDB
6G1Y
Type
protein
Length
985 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriophytochrome protein
UniProt
A9CI81
Ligands
EL5
Pockets
12 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriophytochrome proteinprotein49240% helix, 22% strandA9CI81
BBacteriophytochrome proteinprotein49339% helix, 22% strandA9CI81

Ligands and binding sites

  • EL5 · Biliverdin · ligand · 2 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13710.830.9145EL5
29470.810.8391EL5
311000.730.7686empty
45240.620.7546empty
52730.600.7941empty

Interfaces

1 interface between chains.

  • A–B · 882 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified, 2 covalent (methylation, covalent ligand).

Compared structures

  • 6G1Y · Crystal structure of the photosensory core module (PCM) of a bathy phytochrome from… · the same entry in another collection · chain A against A, TM-score 1.00

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