Research workbench
Twitchin kinase region from C.ELEGANS (FN31-nl-kin-crd-IG26)
Analyse Twitchin kinase region from C.ELEGANS (FN31-nl-kin-crd-IG26) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UTO
- Type
- protein
- Length
- 1,125 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Twitchin
- EC
- 2.7.11.1
- UniProt
- Q23551
- Pockets
- 19 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Twitchin (EC 2.7.11.1) | protein | 559 | 25% helix, 31% strand | Q23551 |
| B | Twitchin (EC 2.7.11.1) | protein | 566 | 25% helix, 30% strand | Q23551 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
- FLC · Citrate anion · additive · chains A
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1200 | 0.83 | 0.84 | 96 | P33 |
| 2 | 773 | 0.78 | 0.82 | 77 | PEG |
| 3 | 584 | 0.75 | 0.82 | 61 | empty |
| 4 | 109 | 0.69 | 0.91 | 19 | empty |
| 5 | 122 | 0.67 | 0.89 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2194 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 3UTO · Twitchin kinase region from C.elegans (Fn31-NL-kin-CRD-Ig26) · 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 Q23551
- Elsewhere: RCSB PDB 3UTO · PDBe 3UTO · UniProt Q23551
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