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Fluorescent protein ASFP595, A143S, off-state

Analyse Fluorescent protein ASFP595, A143S, off-state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2A53
Type: protein
Length: 457 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GFP-like non-fluorescent chromoprotein FP595 chain 1; GFP-like non-fluorescent…
UniProt: Q9GZ28
Ligands: NRQ, CL
Pockets: 4 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GFP-like non-fluorescent chromoprotein FP595 chain 1	protein	64	16% helix, 52% strand	Q9GZ28
B, D	GFP-like non-fluorescent chromoprotein FP595 chain 2	protein	167	4% helix, 54% strand	Q9GZ28
C	GFP-like non-fluorescent chromoprotein FP595 chain 1	protein	59	12% helix, 56% strand	Q9GZ28

Ligands and binding sites

NRQ · {(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio) propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 2 copies · chains A, B, C, D
CL · Chloride ion · ion · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	78	0.76	0.99	24	NRQ
2	80	0.76	0.98	27	NRQ
3	100	0.47	0.81	18	empty
4	51	0.31	0.75	9	empty

Interfaces

5 interfaces between chains.

C–D · 2156 Å² buried · 38 hydrogen bonds · protein-protein
A–B · 2036 Å² buried · 38 hydrogen bonds · protein-protein
B–D · 795 Å² buried · 17 hydrogen bonds · protein-protein
B–C · 169 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 155 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (chromophore).

Compared structures

2A53 · fluorescent protein asFP595, A143S, off-state · the same entry in another collection · chain A against A, TM-score 1.00
Q9GZ28 · AlphaFold monomer V2.0 prediction for GFP-like non-fluorescent chromoprotein FP595… · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9GZ28
Elsewhere: RCSB PDB 2A53 · PDBe 2A53 · UniProt Q9GZ28

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