MolNFT v1 · #3169 · protein
Profilin binds proline-rich ligands in two distinct amide backbone orientations
1CJF · Protein (human platelet profilin): “Profilin binds proline-rich ligands in two distinct amide backbone orientations”. X-ray diffraction, 1 ligand (HOM), 1 pocket (best druggability 0.51). MolNFT v1 #3169 on GenesisL1: 3D structure…
- PDB
- 1CJF
- Type
- protein
- Length
- 305 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (human platelet profilin); Protein (proline peptide)
- UniProt
- P07737
- Ligands
- HOM
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 3 distinct chains · 23% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (human platelet profilin) | protein | 138 | 28% helix, 32% strand | P07737 |
| C | Protein (proline peptide) | protein | 15 | 0% helix, 0% strand | — |
| D | Protein (proline peptide) | protein | 14 | 0% helix, 0% strand | — |
Ligands and binding sites
- HOM · 7-hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin · ligand · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 199 | 0.51 | 0.77 | 26 | empty |
Interfaces
5 interfaces between chains.
- A–C · 590 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 552 Ų buried · 7 hydrogen bonds · protein-protein
- C–B · 132 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 108 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 59 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 1CJF · Profilin binds proline-rich ligands in two distinct amide backbone orientations · the same entry in another collection · chain A against A, TM-score 1.00
- P07737 · AlphaFold monomer V2.0 prediction for profilin-1 (P07737) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P07737
- Elsewhere: RCSB PDB 1CJF · PDBe 1CJF · UniProt P07737
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