MolNFT v1 · #114785 · protein

Crystal structure of the F37H mutant ahpe from mycobacterium tuberculosis

5C04 · Putative peroxiredoxin MT2298: “Crystal structure of the F37H mutant ahpe from mycobacterium tuberculosis”. X-ray diffraction, 2 pockets (best druggability 0.36). MolNFT v1 #114785 on GenesisL1: 3D structure, binding sites and…

PDB: 5C04
Type: protein
Length: 306 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative peroxiredoxin MT2298
EC: 1.11.1.15
UniProt: P9WIE2
Pockets: 2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative peroxiredoxin MT2298 (EC 1.11.1.15)	protein	153	27% helix, 27% strand	P9WIE2

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	100	0.36	0.74	21	empty
2	59	0.30	0.75	19	empty

Interfaces

1 interface between chains.

A–B · 731 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

5C04 · Crystal structure of the F37H mutant AhpE from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
P9WIE2 · AlphaFold monomer V2.0 prediction for alkyl hydroperoxide reductase E (P9WIE2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P9WIE2
Elsewhere: RCSB PDB 5C04 · PDBe 5C04 · UniProt P9WIE2

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