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MolNFT v1 · #57619 · protein

Crystal structure of a monomeric green fluorescent protein, azami- green (mag)

3ADF · Monomeric azami green: “Crystal structure of a monomeric green fluorescent protein, azami- green (mag)”. X-ray diffraction, 1 ligand (CRQ), 6 pockets (best druggability 0.74). MolNFT v1 #57619 on GenesisL1: 3D structure, binding…

PDB
3ADF
Type
protein
Length
419 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Monomeric azami green
UniProt
Q60I24
Ligands
CRQ
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 59% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMonomeric azami greenprotein2103% helix, 59% strandQ60I24
BMonomeric azami greenprotein2095% helix, 59% strandQ60I24

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 · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.740.9727CRQ
2730.720.9725CRQ
31100.430.7720empty
4650.370.7819empty
5660.340.7717empty

Interfaces

1 interface between chains.

  • A–B · 1043 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (chromophore).

Compared structures

  • 3ADF · Crystal structure of a monomeric green fluorescent protein, Azami-Green (mAG) · the same entry in another collection · chain A against A, TM-score 1.00

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