MolNFT v1 · #53235 · protein
Intermediate and final states of human kinesin EG5 in complex with S- trityl-L-cysteine
2WOG · Kinesin-like protein KIF11: “Intermediate and final states of human kinesin EG5 in complex with S- trityl-L-cysteine”. X-ray diffraction, 3 ligands (ADP, ZZD, MG), 10 pockets (best druggability 0.72). MolNFT v1 #53235 on GenesisL1…
- PDB
- 2WOG
- Type
- protein
- Length
- 991 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinesin-like protein KIF11
- UniProt
- P52732
- Ligands
- ADP, ZZD, MG
- Pockets
- 10 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kinesin-like protein KIF11 | protein | 333 | 34% helix, 29% strand | P52732 |
| B | Kinesin-like protein KIF11 | protein | 328 | 34% helix, 28% strand | P52732 |
| C | Kinesin-like protein KIF11 | protein | 330 | 35% helix, 31% strand | P52732 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
- ZZD · S-trityl-L-cysteine · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 816 | 0.72 | 0.77 | 63 | empty |
| 2 | 275 | 0.63 | 0.81 | 43 | empty |
| 3 | 152 | 0.61 | 0.84 | 18 | ZZD |
| 4 | 231 | 0.61 | 0.81 | 35 | MG, ZZD |
| 5 | 154 | 0.60 | 0.83 | 20 | ZZD |
Interfaces
2 interfaces between chains.
- A–C · 476 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 318 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2WOG · Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine · the same entry in another collection · chain B against B, TM-score 1.00
- P52732 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF11 (P52732) · a predicted model of the same protein · chain B 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 P52732
- Elsewhere: RCSB PDB 2WOG · PDBe 2WOG · UniProt P52732
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