MolNFT v1 · #89209 · protein

Flavo di-iron protein H90N mutant from thermotoga maritima

4DIL · Flavoprotein: “Flavo di-iron protein H90N mutant from thermotoga maritima”. X-ray diffraction, 2 ligands (FEO, CL), 7 pockets (best druggability 0.73). MolNFT v1 #89209 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4DIL
Type: protein
Length: 788 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavoprotein
UniProt: Q9WZL4
Ligands: FEO, CL
Pockets: 7 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Flavoprotein	protein	392	35% helix, 29% strand	Q9WZL4
B	Flavoprotein	protein	396	35% helix, 27% strand	Q9WZL4

Ligands and binding sites

FEO · Mu-oxo-diiron · ligand · 2 copies · chains A, B
CL · Chloride ion · ion · 3 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	307	0.73	0.85	34	CL
2	318	0.63	0.79	35	empty
3	181	0.63	0.83	26	empty
4	129	0.49	0.79	18	empty
5	127	0.47	0.78	26	empty

Interfaces

1 interface between chains.

A–B · 2087 Å² buried · 30 hydrogen bonds · protein-protein

Compared structures

4DIL · Flavo Di-iron protein H90N mutant from Thermotoga maritima · the same entry in another collection · chain A 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 Q9WZL4
Elsewhere: RCSB PDB 4DIL · PDBe 4DIL · UniProt Q9WZL4

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