MolNFT v1 · #156445 · protein
Structure of cenp-E motor domain at 1.9 ångström resolution
6M4I · Centromere-associated protein E: “Structure of cenp-E motor domain at 1.9 ångström resolution”. X-ray diffraction, 2 ligands (ADP, MG), 6 pockets (best druggability 0.58). MolNFT v1 #156445 on GenesisL1: 3D structure, binding sites…
- PDB
- 6M4I
- Type
- protein
- Length
- 609 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Centromere-associated protein E
- UniProt
- Q02224
- Ligands
- ADP, MG
- Pockets
- 6 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Centromere-associated protein E | protein | 306 | 33% helix, 29% strand | Q02224 |
| B | Centromere-associated protein E | protein | 303 | 32% helix, 30% strand | Q02224 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.58 | 0.79 | 36 | empty |
| 2 | 221 | 0.55 | 0.78 | 28 | empty |
| 3 | 150 | 0.47 | 0.77 | 17 | empty |
| 4 | 119 | 0.41 | 0.75 | 14 | empty |
| 5 | 69 | 0.35 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 429 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6M4I · Structure of CENP-E motor domain at 1.9 angstrom resolution · the same entry in another collection · chain A against A, 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 Q02224
- Elsewhere: RCSB PDB 6M4I · PDBe 6M4I · UniProt Q02224
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