MolNFT v1 · #52451 · protein
Non-covalent complex between dahp synthase and chorismate mutase from mycobacterium tuberculosis
2W19 · 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase arog: “Non-covalent complex between dahp synthase and chorismate mutase from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (SO4), 17 pockets (best druggability 0.79).…
- PDB
- 2W19
- Type
- protein
- Length
- 981 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase arog; Chorismate mutase
- EC
- 2.5.1.54, 5.4.99.5
- UniProt
- O53512, P64767
- Ligands
- SO4
- Pockets
- 17 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase arog (EC 2.5.1.54) | protein | 418 | 46% helix, 14% strand | O53512 |
| B | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase arog (EC 2.5.1.54) | protein | 416 | 47% helix, 15% strand | O53512 |
| C | Chorismate mutase (EC 5.4.99.5) | protein | 72 | 74% helix, 0% strand | P64767 |
| D | Chorismate mutase (EC 5.4.99.5) | protein | 75 | 76% helix, 0% strand | P64767 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 388 | 0.79 | 0.88 | 52 | empty |
| 2 | 779 | 0.76 | 0.81 | 70 | GOL |
| 3 | 169 | 0.56 | 0.81 | 29 | empty |
| 4 | 226 | 0.56 | 0.78 | 36 | GOL |
| 5 | 141 | 0.54 | 0.81 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1699 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 809 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 790 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2W19 · Non-covalent complex between dahp synthase and chorismate mutase from Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
- O53512 · AlphaFold monomer V2.0 prediction for phospho-2-dehydro-3-deoxyheptonate aldolase arog… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 O53512
- Every structure of UniProt P64767
- Elsewhere: RCSB PDB 2W19 · PDBe 2W19 · UniProt O53512 · UniProt P64767
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