MolNFT v1 · #105516 · protein
Crystal structure of choline kinase lica from streptococcus pneumoniae
4R77: “Crystal structure of choline kinase lica from streptococcus pneumoniae”. X-ray diffraction, 10 pockets (best druggability 0.73). MolNFT v1 #105516 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4R77
- Type
- protein
- Length
- 561 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Choline kinase
- EC
- 2.7.1.32
- UniProt
- Q93MI3
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Choline kinase (EC 2.7.1.32) | protein | 280 | 48% helix, 15% strand | Q93MI3 |
| A | Choline kinase (EC 2.7.1.32) | protein | 281 | 48% helix, 16% strand | Q93MI3 |
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 443 | 0.73 | 0.83 | 43 | empty |
| 2 | 417 | 0.72 | 0.82 | 48 | empty |
| 3 | 531 | 0.63 | 0.75 | 51 | empty |
| 4 | 112 | 0.60 | 0.86 | 23 | empty |
| 5 | 132 | 0.59 | 0.84 | 23 | empty |
Interfaces
1 interface between chains.
- B–A · 519 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4R77 · Crystal structure of choline kinase LicA from Streptococcus pneumoniae · the same entry in another collection · chain B against B, 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 Q93MI3
- Elsewhere: RCSB PDB 4R77 · PDBe 4R77 · UniProt Q93MI3
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