MolNFT v1 · #98843 · protein

Tryparedoxin peroxidase (txnpx) from trypanosoma cruzi in the reduced state

4LLR: “Tryparedoxin peroxidase (txnpx) from trypanosoma cruzi in the reduced state”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #98843 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4LLR
Type: protein
Length: 1,940 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tryparedoxin peroxidase
UniProt: O96763
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J	Tryparedoxin peroxidase	protein	194	30% helix, 25% strand	O96763

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	88	0.76	0.98	24	empty
2	79	0.76	0.98	23	empty
3	71	0.75	0.98	21	empty
4	76	0.74	0.98	22	empty
5	67	0.73	0.98	22	empty

Interfaces

20 interfaces between chains.

E–F · 2112 Å² buried · 40 hydrogen bonds · protein-protein
C–D · 2050 Å² buried · 39 hydrogen bonds · protein-protein
I–J · 2032 Å² buried · 37 hydrogen bonds · protein-protein
A–B · 2019 Å² buried · 39 hydrogen bonds · protein-protein
G–H · 2014 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

4LLR · Tryparedoxin peroxidase (TXNPX) from trypanosoma cruzi in the reduced state · 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 O96763
Elsewhere: RCSB PDB 4LLR · PDBe 4LLR · UniProt O96763

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