MolNFT v1 · #19089 · protein

Structure of a thiol peroxidase from haemophilus influenzae rd

1Q98: “Structure of a thiol peroxidase from haemophilus influenzae rd”. X-ray diffraction, 2 pockets (best druggability 0.51). MolNFT v1 #19089 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1Q98
Type: protein
Length: 328 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiol peroxidase
EC: 1.11.1.-
UniProt: Q57549
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thiol peroxidase (EC 1.11.1.-)	protein	164	19% helix, 30% strand	Q57549

Pockets

2 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	194	0.51	0.77	28	empty
2	164	0.50	0.77	27	empty

Interfaces

1 interface between chains.

A–B · 797 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1Q98 · Structure of a Thiol Peroxidase from Haemophilus influenzae Rd · the same entry in another collection · chain A against A, TM-score 1.00
Q57549 · AlphaFold monomer V2.0 prediction for thiol peroxidase (Q57549) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 Q57549
Elsewhere: RCSB PDB 1Q98 · PDBe 1Q98 · UniProt Q57549

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