MolNFT v1 · #110738 · protein
CCM2 hhd in complex with MEKK3 NPB1
4Y5O · Malcavernin: “CCM2 hhd in complex with MEKK3 NPB1”. X-ray diffraction, 3 pockets (best druggability 0.45). MolNFT v1 #110738 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Y5O
- Type
- protein
- Length
- 181 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malcavernin; Mitogen-activated protein kinase kinase kinase 3
- EC
- 2.7.11.25
- UniProt
- Q9BSQ5, Q99759
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malcavernin | protein | 78 | 79% helix, 0% strand | Q9BSQ5 |
| B | Mitogen-activated protein kinase kinase kinase 3 (EC 2.7.11.25) | protein | 103 | 41% helix, 25% strand | Q99759 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.45 | 0.82 | 15 | empty |
| 2 | 86 | 0.33 | 0.74 | 15 | empty |
| 3 | 52 | 0.26 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1355 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4Y5O · CCM2 HHD in complex with MEKK3 NPB1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BSQ5 · AlphaFold monomer V2.0 prediction for cerebral cavernous malformations 2 protein (Q9BSQ5) · a predicted model of the same protein · chain A against A, TM-score 0.86
- Q99759 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 3… · a predicted model of the same protein · chain B against A, TM-score 0.76
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 Q9BSQ5
- Every structure of UniProt Q99759
- Elsewhere: RCSB PDB 4Y5O · PDBe 4Y5O · UniProt Q9BSQ5 · UniProt Q99759
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