MolNFT v1 · #89648 · protein

Crystal structure of trypanosoma cruzi mitochondrial iron superoxide dismutase

4DVH: “Crystal structure of trypanosoma cruzi mitochondrial iron superoxide dismutase”. X-ray diffraction, 1 ligand (FE), 3 pockets (best druggability 0.60). MolNFT v1 #89648 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4DVH
Type: protein
Length: 406 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Superoxide dismutase
EC: 1.15.1.1
UniProt: Q4DCQ3
Ligands: FE
Pockets: 3 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Superoxide dismutase (EC 1.15.1.1)	protein	203	55% helix, 14% strand	Q4DCQ3
B	Superoxide dismutase (EC 1.15.1.1)	protein	203	54% helix, 15% strand	Q4DCQ3

Ligands and binding sites

FE · Fe (III) ion · metal · 2 copies · chains A, B

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

Pockets

3 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	241	0.60	0.80	22	empty
2	237	0.59	0.79	23	empty
3	94	0.34	0.73	21	empty

Interfaces

1 interface between chains.

A–B · 1024 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

4DVH · Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase · 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 Q4DCQ3
Elsewhere: RCSB PDB 4DVH · PDBe 4DVH · UniProt Q4DCQ3

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