MolNFT v1 · #51342 · protein
Crystal structure of salmonella typhimurium sure at 2.75 ångström resolution in monoclinic form
2V4O · Multifunctional protein sur E: “Crystal structure of salmonella typhimurium sure at 2.75 ångström resolution in monoclinic form”. X-ray diffraction, 2 ligands (MG, PO4), 13 pockets (best druggability 0.83). MolNFT v1 #51342 on…
- PDB
- 2V4O
- Type
- protein
- Length
- 1,020 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multifunctional protein sur E
- EC
- 3.1.3.5, 3.1.3.6, 3.1.3.11
- UniProt
- P66881
- Ligands
- MG, PO4
- Pockets
- 13 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Multifunctional protein sur E (EC 3.1.3.5, 3.1.3.6, 3.1.3.11) | protein | 254 | 28% helix, 28% strand | P66881 |
| D | Multifunctional protein sur E (EC 3.1.3.5, 3.1.3.6, 3.1.3.11) | protein | 258 | 28% helix, 27% strand | P66881 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 2 copies · chains A, D
- GOL · Glycerol · additive · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 710 | 0.83 | 0.87 | 88 | empty |
| 2 | 179 | 0.72 | 0.90 | 38 | PO4 |
| 3 | 307 | 0.72 | 0.85 | 41 | GOL, PO4 |
| 4 | 427 | 0.70 | 0.81 | 60 | empty |
| 5 | 498 | 0.69 | 0.79 | 58 | empty |
Interfaces
6 interfaces between chains.
- C–D · 3813 Ų buried · 42 hydrogen bonds · protein-protein
- A–B · 3799 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 482 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 477 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 453 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2V4O · Crystal structure of Salmonella typhimurium SurE at 2.75 angstrom resolution in… · 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 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 P66881
- Elsewhere: RCSB PDB 2V4O · PDBe 2V4O · UniProt P66881
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