MolNFT v1 · #92356 · protein
Clathrin terminal domain complexed with pitstop 2
4G55 · Clathrin heavy chain 1: “Clathrin terminal domain complexed with pitstop 2”. X-ray diffraction, 1 ligand (VH2), 5 pockets (best druggability 0.77). MolNFT v1 #92356 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4G55
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Clathrin heavy chain 1
- UniProt
- Q00610
- Ligands
- VH2
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Clathrin heavy chain 1 | protein | 358 | 9% helix, 52% strand | Q00610 |
Ligands and binding sites
- VH2 · N-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- ACT · Acetate ion · additive · 5 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 701 | 0.77 | 0.82 | 70 | DMS, EDO |
| 2 | 131 | 0.48 | 0.78 | 18 | DMS, VH2 |
| 3 | 66 | 0.32 | 0.75 | 14 | DMS, ACT |
| 4 | 61 | 0.30 | 0.74 | 16 | empty |
| 5 | 50 | 0.26 | 0.74 | 17 | empty |
Compared structures
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 Q00610
- Elsewhere: RCSB PDB 4G55 · PDBe 4G55 · UniProt Q00610
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