MolNFT v1 · #9759 · protein
Crystal structure of the KIF1A motor domain complexed with mg-amppcp
1I6I · Kinesin-like protein KIF1A: “Crystal structure of the KIF1A motor domain complexed with mg-amppcp”. X-ray diffraction, 2 ligands (ACP, MG), 2 pockets (best druggability 0.58). MolNFT v1 #9759 on GenesisL1: 3D structure, binding…
- PDB
- 1I6I
- Type
- protein
- Length
- 333 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinesin-like protein KIF1A
- UniProt
- P33173
- Ligands
- ACP, MG
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kinesin-like protein KIF1A | protein | 333 | 31% helix, 30% strand | P33173 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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 | 321 | 0.58 | 0.77 | 50 | MG, ACP |
| 2 | 234 | 0.57 | 0.79 | 32 | empty |
Compared structures
- 1I6I · Crystal structure of the KIF1A motor domain complexed with mg-amppcp · the same entry in another collection · chain A against A, TM-score 1.00
- P33173 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF1A (P33173) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P33173
- Elsewhere: RCSB PDB 1I6I · PDBe 1I6I · UniProt P33173
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