MolNFT v1 · #168957 · protein
Crystal structure of human SHLD2-SHLD3-REV7 complex
6WWA · Mitotic spindle assembly checkpoint protein MAD2B: “Crystal structure of human SHLD2-SHLD3-REV7 complex”. X-ray diffraction, 17 pockets (best druggability 0.79). MolNFT v1 #168957 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6WWA
- Type
- protein
- Length
- 835 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitotic spindle assembly checkpoint protein MAD2B; Shieldin complex subunit 2,SHIELDIN…
- UniProt
- Q9UI95, Q86V20, Q6ZNX1
- Pockets
- 17 · best druggability 0.79
Structure
x-ray diffraction · 5 distinct chains · 29% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Mitotic spindle assembly checkpoint protein MAD2B | protein | 192 | 33% helix, 29% strand | Q9UI95 |
| C | Mitotic spindle assembly checkpoint protein MAD2B | protein | 157 | 35% helix, 27% strand | Q9UI95 |
| B | Mitotic spindle assembly checkpoint protein MAD2B | protein | 149 | 35% helix, 28% strand | Q9UI95 |
| Y | Shieldin complex subunit 2,SHIELDIN complex subunit 3 chimera | protein | 73 | 10% helix, 19% strand | Q86V20, Q6ZNX1 |
| X | Shieldin complex subunit 2,SHIELDIN complex subunit 3 chimera | protein | 72 | 13% helix, 19% strand | Q86V20, Q6ZNX1 |
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.79 | 0.97 | 29 | empty |
| 2 | 332 | 0.76 | 0.86 | 52 | empty |
| 3 | 253 | 0.69 | 0.84 | 32 | empty |
| 4 | 321 | 0.66 | 0.81 | 35 | empty |
| 5 | 340 | 0.64 | 0.79 | 32 | empty |
Interfaces
10 interfaces between chains.
- D–Y · 1636 Ų buried · 25 hydrogen bonds · protein-protein
- A–X · 1529 Ų buried · 25 hydrogen bonds · protein-protein
- B–X · 1394 Ų buried · 12 hydrogen bonds · protein-protein
- C–Y · 1390 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 999 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6WWA · Crystal structure of human SHLD2-SHLD3-REV7 complex · the same entry in another collection · chain A against A, 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 A 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 Y against A, TM-score 0.62
- Q86V20 · AlphaFold monomer V2.0 prediction for shieldin complex subunit 2 (Q86V20) · a predicted model of the same protein · chain X against A, TM-score 0.34
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 Q86V20
- Every structure of UniProt Q6ZNX1
- Elsewhere: RCSB PDB 6WWA · PDBe 6WWA · UniProt Q9UI95 · UniProt Q86V20 · UniProt Q6ZNX1
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