MolNFT v1 · #153528 · protein
Crystal structure of an actin monomer in complex with a chimeric peptide of cordon-bleu WH2 mutant and mim. LYS18ARG
6JH9 · Actin, alpha skeletal muscle: “Crystal structure of an actin monomer in complex with a chimeric peptide of cordon-bleu WH2 mutant and mim.…”. X-ray diffraction, 2 ligands (ATP, CA), 2 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 6JH9
- Type
- protein
- Length
- 389 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle; Cordon-bleu mim chimeric peptide
- UniProt
- P68135, Q5NBX1
- Ligands
- ATP, CA
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin, alpha skeletal muscle | protein | 360 | 45% helix, 21% strand | P68135 |
| B | Cordon-bleu mim chimeric peptide | protein | 29 | 48% helix, 10% strand | Q5NBX1 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- GOL · Glycerol · 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 | 363 | 0.78 | 0.88 | 53 | ATP, CA |
| 2 | 155 | 0.56 | 0.81 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1294 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 6JH9 · Crystal structure of an actin monomer in complex with a chimeric peptide of Cordon-Bleu… · 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
- Q5NBX1 · AlphaFold monomer V2.0 prediction for protein cordon-bleu (Q5NBX1) · a predicted model of the same protein · chain B against A, TM-score 0.43
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
- Every structure of UniProt Q5NBX1
- Elsewhere: RCSB PDB 6JH9 · PDBe 6JH9 · UniProt P68135 · UniProt Q5NBX1
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