Research workbench
Crystal structure of a putative polyketide biosynthesis enoyl-CoA hydratase (pksh) from bacillus subtilis
Analyse Crystal structure of a putative polyketide biosynthesis enoyl-CoA hydratase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HP0
- Type
- protein
- Length
- 1,505 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative polyketide biosynthesis enoyl-CoA hydratase homolog pksh
- EC
- 4.2.1.17
- UniProt
- P40805
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative polyketide biosynthesis enoyl-CoA hydratase homolog pksh (EC 4.2.1.17) | protein | 250 | 48% helix, 15% strand | P40805 |
| B, C, D, E, F | Putative polyketide biosynthesis enoyl-CoA hydratase homolog pksh (EC 4.2.1.17) | protein | 251 | 53% helix, 18% strand | P40805 |
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 226 | 0.80 | 0.93 | 38 | empty |
| 2 | 222 | 0.79 | 0.93 | 33 | empty |
| 3 | 398 | 0.77 | 0.86 | 51 | empty |
| 4 | 186 | 0.76 | 0.92 | 34 | empty |
| 5 | 688 | 0.75 | 0.81 | 72 | empty |
Interfaces
10 interfaces between chains.
- D–F · 1220 Ų buried · 12 hydrogen bonds · protein-protein
- A–E · 1194 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 303 Ų buried · 7 hydrogen bonds · protein-protein
- C–E · 282 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 249 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 modified (engineered).
Compared structures
- 3HP0 · Crystal structure of a Putative polyketide biosynthesis enoyl-CoA hydratase (pksH) from… · the same entry in another collection · chain F against F, TM-score 1.00
- P40805 · AlphaFold monomer V2.0 prediction for probable polyketide biosynthesis enoyl-CoA… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P40805
- Elsewhere: RCSB PDB 3HP0 · PDBe 3HP0 · UniProt P40805
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