MolNFT v1 · #109927 · protein
Crystal structure of E112A/D230A mutant of stationary phase survival protein (sure) from salmonella typhimurium
4XH8 · 5'/3'-nucleotidase sure: “Crystal structure of E112A/D230A mutant of stationary phase survival protein (sure) from salmonella…”. X-ray diffraction, 6 pockets (best druggability 0.80). MolNFT v1 #109927 on GenesisL1: 3D structure…
- PDB
- 4XH8
- Type
- protein
- Length
- 504 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'/3'-nucleotidase sure
- EC
- 3.1.3.5, 3.1.3.6, 3.6.1.11
- UniProt
- P66881
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5'/3'-nucleotidase sure (EC 3.1.3.5, 3.1.3.6, 3.6.1.11) | protein | 257 | 25% helix, 25% strand | P66881 |
| B | 5'/3'-nucleotidase sure (EC 3.1.3.5, 3.1.3.6, 3.6.1.11) | protein | 247 | 27% helix, 29% strand | P66881 |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1050 | 0.80 | 0.82 | 116 | empty |
| 2 | 60 | 0.73 | 0.98 | 19 | empty |
| 3 | 235 | 0.62 | 0.82 | 33 | empty |
| 4 | 84 | 0.50 | 0.83 | 20 | empty |
| 5 | 121 | 0.45 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2912 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4XH8 · Crystal Structure of E112A/D230A Mutant of Stationary Phase Survival Protein (SurE) from… · the same entry in another collection · chain A against A, TM-score 1.00
- P66881 · AlphaFold monomer V2.0 prediction for 5'/3'-nucleotidase sure (P66881) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 P66881
- Elsewhere: RCSB PDB 4XH8 · PDBe 4XH8 · UniProt P66881
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