Research workbench
Complex of human tuba C-terminal SH3 domain with human N- wasp proline-rich peptide - P212121
Analyse Complex of human tuba C-terminal SH3 domain with human N- wasp proline-rich… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CC2
- Type
- protein
- Length
- 146 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dynamin-binding protein; Neural wiskott-aldrich syndrome protein
- UniProt
- Q6XZF7, O00401
- Ligands
- CL
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 4 distinct chains · 4% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dynamin-binding protein | protein | 63 | 5% helix, 46% strand | Q6XZF7 |
| B | Neural wiskott-aldrich syndrome protein | protein | 12 | 0% helix, 0% strand | O00401 |
| C | Dynamin-binding protein | protein | 61 | 5% helix, 43% strand | Q6XZF7 |
| D | Neural wiskott-aldrich syndrome protein | protein | 10 | 0% helix, 0% strand | O00401 |
Ligands and binding sites
- CL · Chloride ion · ion · 8 copies · chains A, C, D
- GOL · Glycerol · additive · 4 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 101 | 0.46 | 0.80 | 18 | GOL |
Interfaces
4 interfaces between chains.
- A–B · 593 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 484 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 425 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 55 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4CC2 · Complex of human Tuba C-terminal SH3 domain with human N-WASP proline- rich peptide… · the same entry in another collection · chain D against D, TM-score 1.00
- Q6XZF7 · AlphaFold monomer V2.0 prediction for dynamin-binding protein (Q6XZF7) · a predicted model of the same protein · chain C against A, TM-score 0.95
- O00401 · AlphaFold monomer V2.0 prediction for neural wiskott-aldrich syndrome protein (O00401) · a predicted model of the same protein · chain D against A, TM-score 0.39
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 Q6XZF7
- Every structure of UniProt O00401
- Elsewhere: RCSB PDB 4CC2 · PDBe 4CC2 · UniProt Q6XZF7 · UniProt O00401
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