MolNFT v1 · #144796 · protein
Engineered fha with myc-ptbd peptide
6C4U · Forkhead-associated 1: “Engineered fha with myc-ptbd peptide”. X-ray diffraction, 10 pockets (best druggability 0.60). MolNFT v1 #144796 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6C4U
- Type
- protein
- Length
- 807 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Forkhead-associated 1; Myc-ptbd peptide
- Pockets
- 10 · best druggability 0.60
Structure
x-ray diffraction · 8 distinct chains · 8% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Forkhead-associated 1 | protein | 128 | 9% helix, 41% strand | — |
| C, E | Forkhead-associated 1 | protein | 127 | 9% helix, 42% strand | — |
| D | Forkhead-associated 1 | protein | 126 | 9% helix, 42% strand | — |
| A | Forkhead-associated 1 | protein | 127 | 9% helix, 43% strand | — |
| F | Forkhead-associated 1 | protein | 126 | 9% helix, 41% strand | — |
| G, I, H, J | Myc-ptbd peptide | protein | 8 | 0% helix, 0% strand | — |
| L | Myc-ptbd peptide | protein | 6 | 0% helix, 0% strand | — |
| K | Myc-ptbd peptide | protein | 8 | 0% helix, 0% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 410 | 0.60 | 0.76 | 46 | empty |
| 2 | 427 | 0.60 | 0.76 | 41 | empty |
| 3 | 241 | 0.52 | 0.76 | 32 | empty |
| 4 | 204 | 0.48 | 0.75 | 25 | empty |
| 5 | 129 | 0.45 | 0.77 | 20 | empty |
Interfaces
12 interfaces between chains.
- B–C · 882 Ų buried · 15 hydrogen bonds · protein-protein
- D–E · 819 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 616 Ų buried · 10 hydrogen bonds · protein-protein
- B–A · 465 Ų buried · 6 hydrogen bonds · protein-protein
- E–F · 457 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (phosphorylation).
Compared structures
- 6C4U · Engineered FHA with Myc-pTBD peptide · 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 6C4U · PDBe 6C4U
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