MolNFT v1 · #96127 · protein
Crystal structure of mycobacterium tuberculosis PKS11 in complex with polyketide intermediates and evidence that it synthesize alkylpyrones
4JAR · Alpha-pyrone synthesis polyketide synthase-like PKS11: “Crystal structure of mycobacterium tuberculosis PKS11 in complex with polyketide intermediates and evidence…”. X-ray diffraction, 12 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 4JAR
- Type
- protein
- Length
- 1,409 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-pyrone synthesis polyketide synthase-like PKS11
- EC
- 2.3.1.-
- UniProt
- O06587
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Alpha-pyrone synthesis polyketide synthase-like PKS11 (EC 2.3.1.-) | protein | 352 | 45% helix, 24% strand | O06587 |
| B | Alpha-pyrone synthesis polyketide synthase-like PKS11 (EC 2.3.1.-) | protein | 353 | 45% helix, 26% strand | O06587 |
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 414 | 0.81 | 0.89 | 57 | empty |
| 2 | 393 | 0.81 | 0.89 | 55 | empty |
| 3 | 436 | 0.81 | 0.88 | 58 | empty |
| 4 | 396 | 0.80 | 0.88 | 53 | empty |
| 5 | 1088 | 0.77 | 0.80 | 86 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2146 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 2122 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 542 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 321 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 232 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4JAR · Crystal structure of mycobacterium tuberculosis pks11 in complex with polyketide… · 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 O06587
- Elsewhere: RCSB PDB 4JAR · PDBe 4JAR · UniProt O06587
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.