Research workbench
Crystal structure of salmonella typhimurium sure at 2.75 ångström resolution in monoclinic form
Analyse Crystal structure of salmonella typhimurium sure at 2.75 ångström resolution in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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