MolNFT v1 · #96659 · protein
Crystal structure of the human NUP49CCS2+3* coiled-coil segment
4JQ5 · Nucleoporin P58/P45: “Crystal structure of the human NUP49CCS2+3* coiled-coil segment”. X-ray diffraction, 20 pockets (best druggability 0.75). MolNFT v1 #96659 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4JQ5
- Type
- protein
- Length
- 1,027 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nucleoporin P58/P45
- UniProt
- Q9BVL2
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 89% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, H | Nucleoporin P58/P45 | protein | 85 | 85% helix, 0% strand | Q9BVL2 |
| E, F, G, I, J, K, L | Nucleoporin P58/P45 | protein | 86 | 93% helix, 0% strand | Q9BVL2 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 856 | 0.75 | 0.79 | 100 | empty |
| 2 | 79 | 0.71 | 0.96 | 29 | empty |
| 3 | 498 | 0.70 | 0.80 | 65 | empty |
| 4 | 55 | 0.70 | 0.98 | 21 | empty |
| 5 | 50 | 0.69 | 0.98 | 21 | empty |
Interfaces
28 interfaces between chains.
- G–H · 1442 Ų buried · 12 hydrogen bonds · protein-protein
- E–F · 1408 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1404 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1393 Ų buried · 9 hydrogen bonds · protein-protein
- I–J · 1381 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4JQ5 · Crystal structure of the human Nup49CCS2+3* coiled-coil segment · the same entry in another collection · chain L against L, TM-score 1.00
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 Q9BVL2
- Elsewhere: RCSB PDB 4JQ5 · PDBe 4JQ5 · UniProt Q9BVL2
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