MolNFT v1 · #161525 · protein
AP2 clathrin adaptor MU2T156-phosphorylated core in closed conformation
6QH5 · Ap-2 complex subunit alpha: “AP2 clathrin adaptor MU2T156-phosphorylated core in closed conformation”. X-ray diffraction, 1 ligand (IHP), 20 pockets (best druggability 0.85). MolNFT v1 #161525 on GenesisL1: 3D structure, binding…
- PDB
- 6QH5
- Type
- protein
- Length
- 1,717 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ap-2 complex subunit alpha; Ap-2 complex subunit beta; Ap-2 complex subunit mu; Ap-2…
- UniProt
- Q66HM2, P63010, P84092, P62743
- Ligands
- IHP
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 5 distinct chains · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ap-2 complex subunit alpha | protein | 600 | 72% helix, 1% strand | Q66HM2 |
| B | Ap-2 complex subunit beta | protein | 579 | 63% helix, 0% strand | P63010 |
| N | Ap-2 complex subunit mu | protein | 141 | 39% helix, 24% strand | P84092 |
| M | Ap-2 complex subunit mu | protein | 255 | 2% helix, 58% strand | P84092 |
| S | Ap-2 complex subunit sigma | protein | 142 | 44% helix, 26% strand | P62743 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 932 | 0.85 | 0.86 | 101 | empty |
| 2 | 703 | 0.81 | 0.85 | 75 | empty |
| 3 | 913 | 0.81 | 0.83 | 78 | empty |
| 4 | 356 | 0.73 | 0.84 | 50 | empty |
| 5 | 399 | 0.68 | 0.81 | 41 | empty |
Interfaces
10 interfaces between chains.
- B–N · 2549 Ų buried · 26 hydrogen bonds · protein-protein
- A–S · 2479 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1838 Ų buried · 28 hydrogen bonds · protein-protein
- A–M · 968 Ų buried · 10 hydrogen bonds · protein-protein
- B–M · 876 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6QH5 · AP2 clathrin adaptor mu2T156-phosphorylated core in closed conformation · the same entry in another collection · chain S against S, TM-score 1.00
- P62743 · AlphaFold monomer V2.0 prediction for ap-2 complex subunit sigma (P62743) · a predicted model of the same protein · chain S against A, TM-score 0.98
- P63010 · AlphaFold monomer V2.0 prediction for ap-2 complex subunit beta (P63010) · a predicted model of the same protein · chain B against A, TM-score 0.94
- P84092 · AlphaFold monomer V2.0 prediction for ap-2 complex subunit mu (P84092) · a predicted model of the same protein · chain M against A, TM-score 0.93
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 Q66HM2
- Every structure of UniProt P63010
- Every structure of UniProt P84092
- Every structure of UniProt P62743
- Elsewhere: RCSB PDB 6QH5 · PDBe 6QH5 · UniProt Q66HM2 · UniProt P63010 · UniProt P84092 · UniProt P62743
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