MolNFT v1 · #116953 · protein
Crystal structure of M. tuberculosis ECHA6 (apo, trigonal crystal form)
5DTP · Probable enoyl-CoA hydratase ECHA6: “Crystal structure of M. tuberculosis ECHA6 (apo, trigonal crystal form)”. X-ray diffraction, 4 pockets (best druggability 0.81). MolNFT v1 #116953 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5DTP
- Type
- protein
- Length
- 712 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable enoyl-CoA hydratase ECHA6
- EC
- 4.2.1.17
- UniProt
- P9WNP1
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable enoyl-CoA hydratase ECHA6 (EC 4.2.1.17) | protein | 236 | 47% helix, 17% strand | P9WNP1 |
| B | Probable enoyl-CoA hydratase ECHA6 (EC 4.2.1.17) | protein | 232 | 48% helix, 17% strand | P9WNP1 |
| C | Probable enoyl-CoA hydratase ECHA6 (EC 4.2.1.17) | protein | 244 | 48% helix, 16% strand | P9WNP1 |
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 681 | 0.81 | 0.86 | 48 | empty |
| 2 | 492 | 0.63 | 0.75 | 45 | empty |
| 3 | 449 | 0.61 | 0.75 | 39 | empty |
| 4 | 385 | 0.61 | 0.76 | 40 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1414 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1410 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1401 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 5DTP · Crystal structure of M. tuberculosis EchA6 (apo, trigonal crystal form) · the same entry in another collection · chain A against A, TM-score 1.00
- P9WNP1 · AlphaFold monomer V2.0 prediction for probable enoyl-CoA hydratase ECHA6 (P9WNP1) · 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 P9WNP1
- Elsewhere: RCSB PDB 5DTP · PDBe 5DTP · UniProt P9WNP1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.