MolNFT v1 · #59991 · protein

Crystal structure of superoxide dismutase from helicobacter pylori

3CEI: “Crystal structure of superoxide dismutase from helicobacter pylori”. X-ray diffraction, 2 ligands (FE, SO4), 2 pockets (best druggability 0.53). MolNFT v1 #59991 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3CEI
Type: protein
Length: 423 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Superoxide dismutase
EC: 1.15.1.1
UniProt: B1VJF0
Ligands: FE, SO4
Pockets: 2 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 56% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Superoxide dismutase (EC 1.15.1.1)	protein	213	56% helix, 11% strand	B1VJF0
B	Superoxide dismutase (EC 1.15.1.1)	protein	210	57% helix, 12% strand	B1VJF0

Ligands and binding sites

FE · Fe (III) ion · metal · 2 copies · chains A, B
SO4 · Sulfate ion · ion · chains A

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

Pockets

2 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	184	0.53	0.79	20	empty
2	181	0.51	0.78	19	empty

Interfaces

1 interface between chains.

A–B · 935 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

3CEI · Crystal Structure of Superoxide Dismutase from Helicobacter pylori · 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 B1VJF0
Elsewhere: RCSB PDB 3CEI · PDBe 3CEI · UniProt B1VJF0

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