MolNFT v1 · #101819 · protein

Structure of a malarial protein

4O32 · Thioredoxin: “Structure of a malarial protein”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.73). MolNFT v1 #101819 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4O32
Type: protein
Length: 270 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioredoxin
UniProt: Q8IDP4
Ligands: CL
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thioredoxin	protein	89	45% helix, 29% strand	Q8IDP4
B	Thioredoxin	protein	90	40% helix, 29% strand	Q8IDP4
C	Thioredoxin	protein	91	43% helix, 26% strand	Q8IDP4

Ligands and binding sites

CL · Chloride ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	432	0.73	0.83	44	empty
2	82	0.35	0.75	16	empty
3	77	0.35	0.76	15	empty

Interfaces

3 interfaces between chains.

B–C · 430 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 263 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 230 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4O32 · Structure of a malarial protein · 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 Q8IDP4
Elsewhere: RCSB PDB 4O32 · PDBe 4O32 · UniProt Q8IDP4

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