MolNFT v1 · #90755 · protein

Crystal structure of the extracellular domain of pknh from mycobacterium tuberculosis

4ESQ · SERINE/THREONINE protein kinase: “Crystal structure of the extracellular domain of pknh from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (TB), 1 pocket (best druggability 0.57). MolNFT v1 #90755 on GenesisL1: 3D…

PDB: 4ESQ
Type: protein
Length: 194 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE protein kinase
UniProt: A5U1W4
Ligands: TB
Pockets: 1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE protein kinase	protein	194	29% helix, 32% strand	A5U1W4

Ligands and binding sites

TB · Terbium(iii) ion · metal · 2 copies · chains A
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	309	0.57	0.76	34	BTB, TB

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4ESQ · Crystal structure of the extracellular domain of PknH from Mycobacterium tuberculosis · 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 A5U1W4
Elsewhere: RCSB PDB 4ESQ · PDBe 4ESQ · UniProt A5U1W4

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