MolNFT v1 · #114960 · protein
Crystal structure of human appl bar-pH heterodimer
5C5B · Dcc-interacting protein 13-alpha: “Crystal structure of human appl bar-pH heterodimer”. X-ray diffraction, 14 pockets (best druggability 0.71). MolNFT v1 #114960 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5C5B
- Type
- protein
- Length
- 1,457 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dcc-interacting protein 13-alpha; Dcc-interacting protein 13-beta
- UniProt
- Q9UKG1, Q8NEU8
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 66% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dcc-interacting protein 13-alpha | protein | 358 | 66% helix, 12% strand | Q9UKG1 |
| B | Dcc-interacting protein 13-beta | protein | 370 | 66% helix, 12% strand | Q8NEU8 |
| C | Dcc-interacting protein 13-alpha | protein | 358 | 67% helix, 12% strand | Q9UKG1 |
| D | Dcc-interacting protein 13-beta | protein | 371 | 66% helix, 14% strand | Q8NEU8 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 471 | 0.71 | 0.81 | 45 | empty |
| 2 | 402 | 0.70 | 0.82 | 40 | empty |
| 3 | 252 | 0.62 | 0.81 | 33 | empty |
| 4 | 271 | 0.61 | 0.80 | 34 | empty |
| 5 | 106 | 0.60 | 0.86 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 6245 Ų buried · 45 hydrogen bonds · protein-protein
- C–D · 6136 Ų buried · 62 hydrogen bonds · protein-protein
- A–D · 116 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5C5B · Crystal Structure of Human APPL BAR-PH Heterodimer · the same entry in another collection · chain D against D, TM-score 1.00
- Q8NEU8 · AlphaFold monomer V2.0 prediction for dcc-interacting protein 13-beta (Q8NEU8) · a predicted model of the same protein · chain D against A, TM-score 0.98
- Q9UKG1 · AlphaFold monomer V2.0 prediction for dcc-interacting protein 13-alpha (Q9UKG1) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q9UKG1
- Every structure of UniProt Q8NEU8
- Elsewhere: RCSB PDB 5C5B · PDBe 5C5B · UniProt Q9UKG1 · UniProt Q8NEU8
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