MolNFT v1 · #90962 · protein
Crystal structure of had family hydrolase T0658 from salmonella enterica subsp. enterica serovar typhi (target efi-501419)
4EZE · Haloacid dehalogenase-like hydrolase: “Crystal structure of had family hydrolase T0658 from salmonella enterica subsp. enterica serovar typhi…”. X-ray diffraction, 2 ligands (NA, CL), 6 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 4EZE
- Type
- protein
- Length
- 580 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haloacid dehalogenase-like hydrolase
- UniProt
- Q8Z598
- Ligands
- NA, CL
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Haloacid dehalogenase-like hydrolase | protein | 291 | 45% helix, 25% strand | Q8Z598 |
| B | Haloacid dehalogenase-like hydrolase | protein | 289 | 49% helix, 24% strand | Q8Z598 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 621 | 0.73 | 0.81 | 72 | empty |
| 2 | 438 | 0.69 | 0.81 | 51 | CL, NA |
| 3 | 224 | 0.63 | 0.82 | 27 | NA, CL |
| 4 | 93 | 0.34 | 0.74 | 21 | empty |
| 5 | 87 | 0.33 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1028 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4EZE · Crystal structure of had family hydrolase t0658 from Salmonella enterica subsp. enterica… · 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 Q8Z598
- Elsewhere: RCSB PDB 4EZE · PDBe 4EZE · UniProt Q8Z598
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