MolNFT v1 · #21707 · protein

Crystal structure of mycobacterium tuberculosis catalase-peroxidase

1SJ2 · PEROXIDASE/CATALASE T: “Crystal structure of mycobacterium tuberculosis catalase-peroxidase”. X-ray diffraction, 1 ligand (HEM), 20 pockets (best druggability 0.83). MolNFT v1 #21707 on GenesisL1: 3D structure, binding sites and…

PDB: 1SJ2
Type: protein
Length: 1,434 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PEROXIDASE/CATALASE T
EC: 1.11.1.6
UniProt: Q08129
Ligands: HEM
Pockets: 20 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	PEROXIDASE/CATALASE T (EC 1.11.1.6)	protein	717	47% helix, 7% strand	Q08129

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 6 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	615	0.83	0.88	66	HEM
2	614	0.83	0.87	66	HEM
3	473	0.79	0.87	65	empty
4	245	0.78	0.91	34	GOL
5	265	0.77	0.90	36	GOL

Interfaces

1 interface between chains.

A–B · 4700 Å² buried · 43 hydrogen bonds · protein-protein

Compared structures

1SJ2 · Crystal structure of Mycobacterium tuberculosis catalase-peroxidase · 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 Q08129
Elsewhere: RCSB PDB 1SJ2 · PDBe 1SJ2 · UniProt Q08129

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