MolNFT v1 · #102518 · protein

Crystal structure of HTDX(RV0241C) from mycobacterium tuberculosis

4OOB · Uncharacterized protein htdx: “Crystal structure of HTDX(RV0241C) from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.65). MolNFT v1 #102518 on GenesisL1: 3D structure, binding sites…

PDB: 4OOB
Type: protein
Length: 245 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein htdx
UniProt: O53664
Ligands: CL
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein htdx	protein	245	22% helix, 39% strand	O53664

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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	287	0.65	0.81	45	CL
2	108	0.51	0.82	20	empty
3	53	0.26	0.73	19	empty

Compared structures

4OOB · Crystal structure of HtdX(Rv0241c) from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
O53664 · AlphaFold monomer V2.0 prediction for 3-hydroxyacyl-thioester dehydratase X (O53664) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 O53664
Elsewhere: RCSB PDB 4OOB · PDBe 4OOB · UniProt O53664

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