Research workbench
Crystal structure of putative kinase. (17743352) from agrobacterium tumefaciens str. C58 (dupont) at 1.70 a resolution
Analyse Crystal structure of putative kinase. (17743352) from agrobacterium tumefaciens… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LM2
- Type
- protein
- Length
- 447 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative kinase
- UniProt
- A9CH74
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative kinase | protein | 225 | 33% helix, 29% strand | A9CH74 |
| B | Putative kinase | protein | 222 | 32% helix, 29% strand | A9CH74 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 975 | 0.81 | 0.82 | 100 | empty |
| 2 | 392 | 0.69 | 0.82 | 49 | EDO |
Interfaces
1 interface between chains.
- A–B · 1216 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 modified (engineered).
Compared structures
- 3LM2 · Crystal structure of Putative kinase. (17743352) from AGROBACTERIUM TUMEFACIENS str. C58… · 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 A9CH74
- Elsewhere: RCSB PDB 3LM2 · PDBe 3LM2 · UniProt A9CH74
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