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E16KE61K flavodoxin from anabaena

Analyse E16KE61K flavodoxin from anabaena in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3ESY
Type: protein
Length: 672 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavodoxin
UniProt: P0A3E0
Ligands: FMN
Pockets: 7 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Flavodoxin	protein	168	37% helix, 21% strand	P0A3E0

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
GOL · Glycerol · additive · 2 copies · chains A, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	320	0.61	0.78	37	empty
2	89	0.56	0.86	21	FMN
3	273	0.54	0.76	32	GOL
4	100	0.54	0.84	24	FMN
5	87	0.53	0.85	21	FMN

Interfaces

3 interfaces between chains.

C–D · 252 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 208 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 176 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3ESY · E16KE61K Flavodoxin from Anabaena · the same entry in another collection · chain D against D, TM-score 1.00
P0A3E0 · AlphaFold monomer V2.0 prediction for flavodoxin (P0A3E0) · a predicted model of the same protein · chain B against A, TM-score 1.00

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 P0A3E0
Elsewhere: RCSB PDB 3ESY · PDBe 3ESY · UniProt P0A3E0

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