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MolNFT v1 · #7469 · protein

Crystal structure of dsred, a red fluorescent protein from discosoma sp. red

1G7K · Fluorescent protein FP583: “Crystal structure of dsred, a red fluorescent protein from discosoma sp. red”. X-ray diffraction, 1 ligand (CRQ), 13 pockets (best druggability 0.83). MolNFT v1 #7469 on GenesisL1: 3D structure, binding…

PDB
1G7K
Type
protein
Length
868 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fluorescent protein FP583
UniProt
Q9U6Y8
Ligands
CRQ
Pockets
13 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DFluorescent protein FP583protein2176% helix, 57% strandQ9U6Y8

Ligands and binding sites

  • CRQ · [2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid · ligand · 4 copies · chains A, B, C, D

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

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110140.830.8496empty
2880.750.9730CRQ
3850.740.9729CRQ
4750.720.9729CRQ
5770.700.9529CRQ

Interfaces

4 interfaces between chains.

  • A–C · 1366 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 1344 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 1104 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1071 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified, 8 cofactor (engineered, chromophore).

Compared structures

  • 1G7K · Crystal structure of dsred, a red fluorescent protein from discosoma sp. red · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9U6Y8 · AlphaFold monomer V2.0 prediction for red fluorescent protein DRFP583 (Q9U6Y8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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