MolNFT v1 · #107397 · protein

Structure of mycobacterial maltokinase, the missing link in the essential glge-pathway

4U94: “Structure of mycobacterial maltokinase, the missing link in the essential glge-pathway”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.63). MolNFT v1 #107397 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4U94
Type: protein
Length: 451 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maltokinase
EC: 2.7.1.175
UniProt: A1TH50
Ligands: MG
Pockets: 5 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Maltokinase (EC 2.7.1.175)	protein	451	44% helix, 24% strand	A1TH50

Ligands and binding sites

MG · Magnesium ion · metal · chains A

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

Pockets

5 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	390	0.63	0.78	49	MG
2	288	0.62	0.79	23	empty
3	135	0.47	0.78	22	empty
4	113	0.44	0.78	20	empty
5	63	0.41	0.82	17	empty

Compared structures

4U94 · Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway · the same entry in another collection · chain A against A, TM-score 1.00
A1TH50 · AlphaFold monomer V2.0 prediction for maltokinase (A1TH50) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 A1TH50
Elsewhere: RCSB PDB 4U94 · PDBe 4U94 · UniProt A1TH50

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