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Crystal structure of the photoconverted green fluorescent protein NOWGFP_CONV (the variant of cyan cerulean) at pH 7.0

Analyse Crystal structure of the photoconverted green fluorescent protein NOWGFP_CONV… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4RYW
Type
protein
Length
681 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NOWGFP_CONV
Ligands
CRF
Pockets
8 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CNOWGFP_CONVprotein22711% helix, 52% strand—

Ligands and binding sites

  • CRF · [(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid · ligand · 3 copies · chains A, B, C
  • GOL · Glycerol · additive · 9 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11230.790.9823CRF
21400.790.9624CRF
31030.750.9623CRF
45900.690.7880empty
52230.540.7832empty

Interfaces

2 interfaces between chains.

  • B–C · 650 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 552 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 covalent (covalent ligand).

Compared structures

  • 4RYW · Crystal structure of the photoconverted green fluorescent protein NowGFP_conv (the… · the same entry in another collection · chain A against A, TM-score 1.00

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