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Sfgfp double mutant - 133/149 P-cyano-L-phenylalanine

Analyse Sfgfp double mutant - 133/149 P-cyano-L-phenylalanine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5DPI
Type
protein
Length
1,347 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein
UniProt
A0A059PIQ0
Ligands
CRO
Pockets
20 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, D, EGreen fluorescent proteinprotein22512% helix, 52% strandA0A059PIQ0
CGreen fluorescent proteinprotein2238% helix, 52% strandA0A059PIQ0
FGreen fluorescent proteinprotein2248% helix, 52% strandA0A059PIQ0

Ligands and binding sites

  • CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 6 copies · chains A, B, C, D, E, F

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

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11040.770.9729CRO
2920.770.9831CRO
3890.760.9828CRO
4880.760.9826CRO
5900.760.9725CRO

Interfaces

6 interfaces between chains.

  • A–B · 881 Ų buried · 14 hydrogen bonds · protein-protein
  • D–F · 874 Ų buried · 15 hydrogen bonds · protein-protein
  • C–E · 868 Ų buried · 17 hydrogen bonds · protein-protein
  • A–C · 383 Ų buried · 9 hydrogen bonds · protein-protein
  • B–D · 294 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 cofactor, 12 modified (chromophore, nonstandard).

Compared structures

  • 5DPI · sfGFP double mutant - 133/149 p-cyano-L-phenylalanine · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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