MolNFT v1 · #127433 · protein
Complex between the leucine zipper (lz, residues 490-567) and centrosomin-motif 2 (CM2) domains of drosophila melanogaster centrosomin (cnn)
5MWE: “Complex between the leucine zipper (lz, residues 490-567) and centrosomin-motif 2 (CM2) domains of drosophila…”. X-ray diffraction, 2 ligands (TCE, ZN), 1 pocket (best druggability 0.53). MolNFT v1 #127433 on GenesisL1: 3D…
- PDB
- 5MWE
- Type
- protein
- Length
- 174 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Centrosomin
- UniProt
- P54623
- Ligands
- TCE, ZN
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 3 distinct chains · 92% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Centrosomin | protein | 59 | 95% helix, 0% strand | P54623 |
| C, D | Centrosomin | protein | 27 | 81% helix, 0% strand | P54623 |
| B | Centrosomin | protein | 61 | 93% helix, 0% strand | P54623 |
Ligands and binding sites
- TCE · 3,3',3''-phosphanetriyltripropanoic acid · ligand · chains A, C, B
- ZN · Zinc ion · metal · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, C, D, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 203 | 0.53 | 0.77 | 19 | TCE |
Interfaces
6 interfaces between chains.
- A–B · 892 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 493 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 390 Ų buried · 0 hydrogen bonds · protein-protein
- C–B · 386 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 380 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5MWE · Complex between the Leucine Zipper (LZ, residues 490-567) and Centrosomin-motif 2 (CM2)… · the same entry in another collection · chain B against B, TM-score 1.00
- P54623 · AlphaFold monomer V2.0 prediction for centrosomin (P54623) · a predicted model of the same protein · chain A against A, TM-score 0.88
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 P54623
- Elsewhere: RCSB PDB 5MWE · PDBe 5MWE · UniProt P54623
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