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Mycobacterium tuberculosis pknb kinase domain L33D mutant (crystal form 6)

Analyse Mycobacterium tuberculosis pknb kinase domain L33D mutant (crystal form 6) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3ORT
Type: protein
Length: 271 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE protein kinase
UniProt: A5TY84
Ligands: AGS
Pockets: 1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE protein kinase	protein	271	38% helix, 20% strand	A5TY84

Ligands and binding sites

AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · 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	346	0.67	0.81	33	AGS

Compared structures

3ORT · Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 6) · 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 A5TY84
Elsewhere: RCSB PDB 3ORT · PDBe 3ORT · UniProt A5TY84

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