MolNFT v1 · #173489 · protein
Monoclinic P21 structure of human MAD1 C-terminal domain in complex with phosphorylated BUB1 CD1 domain
7B1H · Mitotic spindle assembly checkpoint protein MAD1: “Monoclinic P21 structure of human MAD1 C-terminal domain in complex with phosphorylated BUB1 CD1 domain”. X-ray diffraction, 8 pockets (best druggability 0.69). MolNFT v1 #173489 on…
- PDB
- 7B1H
- Type
- protein
- Length
- 565 residues
- Chains
- 8
- 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
- 8 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 61% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, E, F | Mitotic spindle assembly checkpoint protein MAD1 | protein | 122 | 57% helix, 16% strand | Q9Y6D9 |
| C, G | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 18 | 78% helix, 0% strand | O43683 |
| D | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 20 | 65% helix, 0% strand | O43683 |
| H | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 21 | 62% helix, 0% strand | O43683 |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 500 | 0.69 | 0.80 | 45 | empty |
| 2 | 98 | 0.52 | 0.83 | 19 | empty |
| 3 | 57 | 0.37 | 0.80 | 15 | empty |
| 4 | 99 | 0.37 | 0.75 | 20 | empty |
| 5 | 51 | 0.37 | 0.80 | 19 | empty |
Interfaces
13 interfaces between chains.
- B–A · 2230 Ų buried · 15 hydrogen bonds · protein-protein
- E–F · 2169 Ų buried · 11 hydrogen bonds · protein-protein
- F–H · 642 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 639 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 517 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 7B1H · Monoclinic P21 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated… · the same entry in another collection · chain H against H, 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 0.86
- O43683 · AlphaFold monomer V2.0 prediction for mitotic checkpoint SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain G against A, TM-score 0.51
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 7B1H · PDBe 7B1H · UniProt Q9Y6D9 · UniProt O43683
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