MolNFT v1 · #168956 · protein
Crystal structure of human REV7(R124A)-SHLD3(35-58) complex
6WW9 · Mitotic spindle assembly checkpoint protein MAD2B: “Crystal structure of human REV7(R124A)-SHLD3(35-58) complex”. X-ray diffraction, 3 pockets (best druggability 0.70). MolNFT v1 #168956 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6WW9
- Type
- protein
- Length
- 434 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitotic spindle assembly checkpoint protein MAD2B; Shieldin complex subunit 3
- UniProt
- Q9UI95, Q6ZNX1
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitotic spindle assembly checkpoint protein MAD2B | protein | 190 | 35% helix, 29% strand | Q9UI95 |
| X | Shieldin complex subunit 3 | protein | 23 | 0% helix, 13% strand | Q6ZNX1 |
| B | Mitotic spindle assembly checkpoint protein MAD2B | protein | 197 | 37% helix, 30% strand | Q9UI95 |
| Y | Shieldin complex subunit 3 | protein | 24 | 0% helix, 13% strand | Q6ZNX1 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.70 | 0.83 | 41 | empty |
| 2 | 304 | 0.59 | 0.78 | 47 | empty |
| 3 | 67 | 0.31 | 0.74 | 15 | empty |
Interfaces
4 interfaces between chains.
- A–X · 1607 Ų buried · 24 hydrogen bonds · protein-protein
- B–Y · 1540 Ų buried · 20 hydrogen bonds · protein-protein
- A–Y · 535 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 218 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6WW9 · Crystal structure of human REV7(R124A)-SHLD3(35-58) complex · the same entry in another collection · chain Y against Y, TM-score 1.00
- Q9UI95 · AlphaFold monomer V2.0 prediction for mitotic spindle assembly checkpoint protein MAD2B… · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q6ZNX1 · AlphaFold monomer V2.0 prediction for shieldin complex subunit 3 (Q6ZNX1) · a predicted model of the same protein · chain X against A, TM-score 0.64
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 Q9UI95
- Every structure of UniProt Q6ZNX1
- Elsewhere: RCSB PDB 6WW9 · PDBe 6WW9 · UniProt Q9UI95 · UniProt Q6ZNX1
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