MolNFT v1 · #84187 · protein
EG5 - new allosteric binding site
3ZCW · Kinesin-like protein KIF11: “EG5 - new allosteric binding site”. X-ray diffraction, 3 ligands (4A2, ADP, MG), 3 pockets (best druggability 0.70). MolNFT v1 #84187 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ZCW
- Type
- protein
- Length
- 321 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinesin-like protein KIF11
- UniProt
- P52732
- Ligands
- 4A2, ADP, MG
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kinesin-like protein KIF11 | protein | 321 | 36% helix, 29% strand | P52732 |
Ligands and binding sites
- 4A2 · (2E)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxylic acid · ligand · 2 copies · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 481 | 0.70 | 0.80 | 64 | ADP, MG, 4A2, EPE |
| 2 | 246 | 0.63 | 0.81 | 39 | 4A2 |
| 3 | 133 | 0.47 | 0.78 | 21 | empty |
Compared structures
- 3ZCW · Eg5 - New allosteric binding site · 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 P52732
- Elsewhere: RCSB PDB 3ZCW · PDBe 3ZCW · UniProt P52732
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