Research workbench
Crystal structure of pkines peptide bound to CRM1(E571K)
Analyse Crystal structure of pkines peptide bound to CRM1(E571K) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6X2W
- Type
- protein
- Length
- 1,337 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTP-binding nuclear protein ran; Ran-specific GTPase-activating protein 1; Exportin-1…
- UniProt
- P62826, P41920, P30822, P61925
- Ligands
- GNP, MG
- Pockets
- 14 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 64% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTP-binding nuclear protein ran | protein | 205 | 30% helix, 22% strand | P62826 |
| B | Ran-specific GTPase-activating protein 1 | protein | 123 | 14% helix, 50% strand | P41920 |
| C | Exportin-1 | protein | 994 | 77% helix, 0% strand | P30822 |
| D | Camp-dependent protein kinase inhibitor alpha | protein | 15 | 60% helix, 0% strand | P61925 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
- GOL · Glycerol · additive · 3 copies · chains A, C
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 | 952 | 0.86 | 0.88 | 126 | GOL |
| 2 | 112 | 0.65 | 0.89 | 29 | GNP, MG |
| 3 | 476 | 0.61 | 0.75 | 41 | empty |
| 4 | 374 | 0.59 | 0.76 | 47 | empty |
| 5 | 131 | 0.59 | 0.84 | 20 | empty |
Interfaces
4 interfaces between chains.
- A–C · 2144 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 2065 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 833 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 181 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6X2W · Crystal Structure of PKINES peptide bound to CRM1(E571K) · the same entry in another collection · chain A against A, TM-score 1.00
- P41920 · AlphaFold monomer V2.0 prediction for ran-specific GTPase-activating protein 1 (P41920) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P62826
- Every structure of UniProt P41920
- Every structure of UniProt P30822
- Every structure of UniProt P61925
- Elsewhere: RCSB PDB 6X2W · PDBe 6X2W · UniProt P62826 · UniProt P41920 · UniProt P30822 · UniProt P61925
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