MolNFT v1 · #108410 · protein
Crystal structure of beta-ketoacyl thiolase B (bktb) from ralstonia eutropha
4W61 · Beta-ketothiolase bktb: “Crystal structure of beta-ketoacyl thiolase B (bktb) from ralstonia eutropha”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #108410 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4W61
- Type
- protein
- Length
- 6,237 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-ketothiolase bktb
- EC
- 2.3.1.16, 2.3.1.9
- UniProt
- Q0KBP1
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 15 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 393 | 38% helix, 24% strand | Q0KBP1 |
| B | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 391 | 38% helix, 23% strand | Q0KBP1 |
| C | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 389 | 38% helix, 23% strand | Q0KBP1 |
| D | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 390 | 38% helix, 23% strand | Q0KBP1 |
| E | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 386 | 38% helix, 23% strand | Q0KBP1 |
| F, O | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 388 | 38% helix, 24% strand | Q0KBP1 |
| G | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 389 | 38% helix, 23% strand | Q0KBP1 |
| H | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 392 | 38% helix, 23% strand | Q0KBP1 |
| I | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 390 | 37% helix, 24% strand | Q0KBP1 |
| J | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 389 | 38% helix, 23% strand | Q0KBP1 |
| K | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 392 | 38% helix, 23% strand | Q0KBP1 |
| L | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 390 | 38% helix, 24% strand | Q0KBP1 |
| M | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 390 | 38% helix, 24% strand | Q0KBP1 |
| N | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 392 | 37% helix, 23% strand | Q0KBP1 |
| P | Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9) | protein | 388 | 38% helix, 23% strand | Q0KBP1 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 689 | 0.77 | 0.82 | 71 | empty |
| 2 | 597 | 0.65 | 0.75 | 50 | empty |
| 3 | 653 | 0.64 | 0.75 | 52 | empty |
| 4 | 226 | 0.61 | 0.81 | 39 | empty |
| 5 | 198 | 0.61 | 0.82 | 36 | empty |
Interfaces
33 interfaces between chains.
- C–D · 2850 Ų buried · 63 hydrogen bonds · protein-protein
- K–L · 2846 Ų buried · 62 hydrogen bonds · protein-protein
- I–J · 2846 Ų buried · 58 hydrogen bonds · protein-protein
- E–F · 2834 Ų buried · 59 hydrogen bonds · protein-protein
- G–H · 2826 Ų buried · 58 hydrogen bonds · protein-protein
Compared structures
- 4W61 · Crystal structure of beta-ketoacyl thiolase B (BktB) from Ralstonia eutropha · the same entry in another collection · chain K against K, 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 Q0KBP1
- Elsewhere: RCSB PDB 4W61 · PDBe 4W61 · UniProt Q0KBP1
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