MolNFT v1 · #173491 · protein
Orthorhombic P21212 structure of human MAD1 C-terminal domain in complex with phosphorylated BUB1 CD1 domain
7B1J · Mitotic spindle assembly checkpoint protein MAD1: “Orthorhombic P21212 structure of human MAD1 C-terminal domain in complex with phosphorylated BUB1 CD1 domain”. X-ray diffraction, 2 pockets (best druggability 0.35). MolNFT v1…
- PDB
- 7B1J
- Type
- protein
- Length
- 282 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitotic spindle assembly checkpoint protein MAD1; Mitotic checkpoint…
- EC
- 2.7.11.1
- UniProt
- Q9Y6D9, O43683
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Mitotic spindle assembly checkpoint protein MAD1 | protein | 122 | 55% helix, 14% strand | Q9Y6D9 |
| C, D | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 19 | 68% helix, 0% strand | O43683 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.35 | 0.78 | 13 | empty |
| 2 | 58 | 0.27 | 0.73 | 16 | empty |
Interfaces
5 interfaces between chains.
- B–A · 2091 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 460 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 452 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 437 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 408 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 7B1J · Orthorhombic P21212 Structure of Human Mad1 C-terminal Domain in Complex with… · the same entry in another collection · chain B against B, TM-score 1.00
- Q9Y6D9 · AlphaFold monomer V2.0 prediction for mitotic spindle assembly checkpoint protein MAD1… · a predicted model of the same protein · chain B against A, TM-score 0.87
- O43683 · AlphaFold monomer V2.0 prediction for mitotic checkpoint SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain D against A, TM-score 0.52
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 Q9Y6D9
- Every structure of UniProt O43683
- Elsewhere: RCSB PDB 7B1J · PDBe 7B1J · UniProt Q9Y6D9 · UniProt O43683
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