MolNFT v1 · #22098 · protein
Crystal structure of 2-hydroxypentadienoic acid hydratase from escherichia COLI
1SV6 · 2-keto-4-pentenoate hydratase: “Crystal structure of 2-hydroxypentadienoic acid hydratase from escherichia COLI”. X-ray diffraction, 20 pockets (best druggability 0.69). MolNFT v1 #22098 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1SV6
- Type
- protein
- Length
- 1,305 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-keto-4-pentenoate hydratase
- EC
- 4.2.1.-
- UniProt
- P77608
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | 2-keto-4-pentenoate hydratase (EC 4.2.1.-) | protein | 261 | 28% helix, 33% strand | P77608 |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.69 | 0.85 | 33 | empty |
| 2 | 255 | 0.69 | 0.84 | 33 | empty |
| 3 | 256 | 0.68 | 0.84 | 35 | empty |
| 4 | 269 | 0.68 | 0.83 | 33 | empty |
| 5 | 257 | 0.67 | 0.83 | 32 | empty |
Interfaces
5 interfaces between chains.
- A–D · 907 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 847 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 836 Ų buried · 13 hydrogen bonds · protein-protein
- B–E · 824 Ų buried · 12 hydrogen bonds · protein-protein
- C–E · 821 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1SV6 · Crystal structure of 2-hydroxypentadienoic acid hydratase from Escherichia Coli · the same entry in another collection · chain A against A, TM-score 1.00
- P77608 · AlphaFold monomer V2.0 prediction for 2-keto-4-pentenoate hydratase (P77608) · a predicted model of the same protein · chain A 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 P77608
- Elsewhere: RCSB PDB 1SV6 · PDBe 1SV6 · UniProt P77608
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