MolNFT v1 · #87930 · protein
Ca-bound truncated (DELTA13C) and C3S, C81S and C86S mutated S100A4 complexed with non-muscle myosin iia
4CFQ · Protein S100-A4: “Ca-bound truncated (DELTA13C) and C3S, C81S and C86S mutated S100A4 complexed with non-muscle myosin iia”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.46). MolNFT v1 #87930 on GenesisL1: 3D…
- PDB
- 4CFQ
- Type
- protein
- Length
- 394 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein S100-A4; Myosin-9
- UniProt
- P26447, P35579
- Ligands
- CA
- Pockets
- 4 · best druggability 0.46
Structure
x-ray diffraction · 5 distinct chains · 66% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein S100-A4 | protein | 85 | 67% helix, 5% strand | P26447 |
| B, D | Protein S100-A4 | protein | 84 | 63% helix, 2% strand | P26447 |
| C | Protein S100-A4 | protein | 85 | 68% helix, 5% strand | P26447 |
| Q | Myosin-9 | protein | 27 | 67% helix, 0% strand | P35579 |
| R | Myosin-9 | protein | 29 | 66% helix, 3% strand | P35579 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 195 | 0.46 | 0.74 | 29 | empty |
| 2 | 80 | 0.36 | 0.75 | 15 | empty |
| 3 | 66 | 0.32 | 0.75 | 16 | empty |
| 4 | 77 | 0.29 | 0.73 | 20 | empty |
Interfaces
8 interfaces between chains.
- C–D · 1142 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1119 Ų buried · 10 hydrogen bonds · protein-protein
- D–R · 765 Ų buried · 5 hydrogen bonds · protein-protein
- B–Q · 702 Ų buried · 4 hydrogen bonds · protein-protein
- A–Q · 509 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4CFQ · Ca-bound truncated (delta13C) and C3S, C81S and C86S mutated S100A4 complexed with… · the same entry in another collection · chain R against R, TM-score 1.00
- P26447 · AlphaFold monomer V2.0 prediction for protein S100-A4 (P26447) · a predicted model of the same protein · chain A against A, TM-score 0.96
- P35579 · AlphaFold monomer V2.0 prediction for myosin-9 (P35579) · a predicted model of the same protein · chain Q against A, TM-score 0.70
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 P26447
- Every structure of UniProt P35579
- Elsewhere: RCSB PDB 4CFQ · PDBe 4CFQ · UniProt P26447 · UniProt P35579
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