MolNFT v1 · #124593 · protein
Crystal structure of enoyl-CoA hydratase from mycobacterium tuberculosis H37RV
5KJP: “Crystal structure of enoyl-CoA hydratase from mycobacterium tuberculosis H37RV”. X-ray diffraction, 3 pockets (best druggability 0.45). MolNFT v1 #124593 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5KJP
- Type
- protein
- Length
- 252 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA hydratase
- EC
- 4.2.1.17
- UniProt
- P96404
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA hydratase (EC 4.2.1.17) | protein | 252 | 46% helix, 18% strand | P96404 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.45 | 0.76 | 26 | empty |
| 2 | 125 | 0.41 | 0.75 | 22 | empty |
| 3 | 52 | 0.26 | 0.74 | 14 | empty |
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 5KJP · Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis H37Rv · 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 P96404
- Elsewhere: RCSB PDB 5KJP · PDBe 5KJP · UniProt P96404
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