MolNFT v1 · #134438 · protein
Chicken smooth muscle myosin motor domain co-crystallized with the specific ck-571 inhibitor, MGADP.BEFX form
5T45 · Myosin-11: “Chicken smooth muscle myosin motor domain co-crystallized with the specific ck-571 inhibitor, MGADP.BEFX form”. X-ray diffraction, 5 ligands (52E, BEF, ADP), 4 pockets (best druggability 0.76). MolNFT v1 #134438 on…
- PDB
- 5T45
- Type
- protein
- Length
- 708 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-11
- Ligands
- 52E, BEF, ADP, BCN, MG
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-11 | protein | 708 | 46% helix, 17% strand | — |
Ligands and binding sites
- 52E · 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol · ligand · chains A
- BEF · Beryllium trifluoride ion · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- BCN · Bicine · ligand · chains A
- MG · Magnesium ion · metal · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1184 | 0.76 | 0.79 | 115 | MG, BEF, ADP, GOL |
| 2 | 567 | 0.75 | 0.82 | 61 | 52E |
| 3 | 154 | 0.66 | 0.87 | 26 | empty |
| 4 | 53 | 0.32 | 0.76 | 14 | empty |
Compared structures
- 5T45 · Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571… · 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
- Elsewhere: RCSB PDB 5T45 · PDBe 5T45
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