Research workbench
Structural genomics, the crystal structure of a putative kinase from salmonella typhimurim LT2
Analyse Structural genomics, the crystal structure of a putative kinase from salmonella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AN1
- Type
- protein
- Length
- 1,095 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative kinase
- EC
- 2.7.1.23
- UniProt
- P65774
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 21% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative kinase (EC 2.7.1.23) | protein | 275 | 22% helix, 40% strand | P65774 |
| B | Putative kinase (EC 2.7.1.23) | protein | 281 | 21% helix, 42% strand | P65774 |
| C | Putative kinase (EC 2.7.1.23) | protein | 271 | 22% helix, 42% strand | P65774 |
| D | Putative kinase (EC 2.7.1.23) | protein | 268 | 21% helix, 41% strand | P65774 |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 868 | 0.87 | 0.89 | 64 | empty |
| 2 | 1050 | 0.75 | 0.77 | 99 | empty |
| 3 | 379 | 0.60 | 0.76 | 48 | empty |
| 4 | 352 | 0.59 | 0.76 | 37 | empty |
| 5 | 77 | 0.45 | 0.81 | 12 | empty |
Interfaces
6 interfaces between chains.
- A–D · 1834 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 1646 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 712 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 689 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 167 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2AN1 · Structural Genomics, The crystal structure of a putative kinase from Salmonella… · the same entry in another collection · chain D against D, TM-score 1.00
- P65774 · AlphaFold monomer V2.0 prediction for NAD kinase (P65774) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 P65774
- Elsewhere: RCSB PDB 2AN1 · PDBe 2AN1 · UniProt P65774
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