MolNFT v1 · #168177 · protein
Structure of rabbit actin in complex with truncated analog of mycalolide B
6W7V · Actin, alpha skeletal muscle: “Structure of rabbit actin in complex with truncated analog of mycalolide B”. X-ray diffraction, 4 ligands (ATP, LAB, TFJ), 2 pockets (best druggability 0.76). MolNFT v1 #168177 on GenesisL1: 3D…
- PDB
- 6W7V
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle
- UniProt
- P68135
- Ligands
- ATP, LAB, TFJ, CA
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin, alpha skeletal muscle | protein | 358 | 45% helix, 21% strand | P68135 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- LAB · Latrunculin B · ligand · chains A
- TFJ · (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate · ligand · chains A
- CA · Calcium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.76 | 0.86 | 54 | CA, ATP, LAB |
| 2 | 157 | 0.45 | 0.75 | 28 | empty |
Compared structures
- 6W7V · Structure of rabbit actin in complex with truncated analog of Mycalolide B · the same entry in another collection · chain A against A, TM-score 1.00
- P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P68135
- Elsewhere: RCSB PDB 6W7V · PDBe 6W7V · UniProt P68135
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