MolNFT v1 · #90358 · protein
Crystal structure of KIF1A CC1-fha tandem
4EGX · Kinesin-like protein KIF1A: “Crystal structure of KIF1A CC1-fha tandem”. X-ray diffraction, 7 pockets (best druggability 0.68). MolNFT v1 #90358 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4EGX
- Type
- protein
- Length
- 707 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinesin-like protein KIF1A
- UniProt
- Q12756
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 28% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kinesin-like protein KIF1A | protein | 180 | 29% helix, 31% strand | Q12756 |
| B | Kinesin-like protein KIF1A | protein | 180 | 27% helix, 29% strand | Q12756 |
| C | Kinesin-like protein KIF1A | protein | 174 | 27% helix, 29% strand | Q12756 |
| D | Kinesin-like protein KIF1A | protein | 173 | 29% helix, 30% strand | Q12756 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, C
- GOL · Glycerol · additive · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 774 | 0.68 | 0.76 | 60 | empty |
| 2 | 324 | 0.64 | 0.80 | 41 | empty |
| 3 | 114 | 0.47 | 0.79 | 25 | empty |
| 4 | 86 | 0.47 | 0.81 | 19 | empty |
| 5 | 109 | 0.40 | 0.76 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2548 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2399 Ų buried · 25 hydrogen bonds · protein-protein
- B–D · 486 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 349 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 42 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 Q12756
- Elsewhere: RCSB PDB 4EGX · PDBe 4EGX · UniProt Q12756
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