MolNFT v1 · #101972 · protein
Crystal structure of mycobacterium tuberculosis maltose kinase mak complexed with maltose
4O7P · Maltokinase: “Crystal structure of mycobacterium tuberculosis maltose kinase mak complexed with maltose”. X-ray diffraction, 2 ligands (GLC, SO4), 16 pockets (best druggability 0.83). MolNFT v1 #101972 on GenesisL1: 3D structure…
- PDB
- 4O7P
- Type
- protein
- Length
- 884 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltokinase
- EC
- 2.7.1.175
- UniProt
- O07177
- Ligands
- GLC, SO4
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltokinase (EC 2.7.1.175) | protein | 433 | 45% helix, 26% strand | O07177 |
| B | Maltokinase (EC 2.7.1.175) | protein | 451 | 43% helix, 25% strand | O07177 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.83 | 0.93 | 38 | empty |
| 2 | 517 | 0.75 | 0.83 | 59 | BTB |
| 3 | 115 | 0.75 | 0.94 | 27 | empty |
| 4 | 293 | 0.73 | 0.86 | 32 | empty |
| 5 | 454 | 0.70 | 0.80 | 45 | GLC |
Interfaces
1 interface between chains.
- A–B · 2664 Ų buried · 48 hydrogen bonds · protein-protein
Compared structures
- 4O7P · Crystal structure of Mycobacterium tuberculosis maltose kinase MaK complexed with maltose · the same entry in another collection · chain A against A, TM-score 1.00
- O07177 · AlphaFold monomer V2.0 prediction for maltokinase (O07177) · a predicted model of the same protein · chain B against A, TM-score 0.91
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 O07177
- Elsewhere: RCSB PDB 4O7P · PDBe 4O7P · UniProt O07177
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