MolNFT v1 · #154999 · protein
Crystal structure of human SHLD3-C-REV7-O-REV7-SHLD2 complex
6KTO · Mitotic spindle assembly checkpoint protein MAD2B: “Crystal structure of human SHLD3-C-REV7-O-REV7-SHLD2 complex”. X-ray diffraction, 8 pockets (best druggability 0.44). MolNFT v1 #154999 on GenesisL1: 3D structure, binding sites…
- PDB
- 6KTO
- Type
- protein
- Length
- 456 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; Shieldin…
- UniProt
- Q9UI95, Q6ZNX1, Q86V20
- Pockets
- 8 · best druggability 0.44
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitotic spindle assembly checkpoint protein MAD2B | protein | 188 | 36% helix, 31% strand | Q9UI95 |
| B | Mitotic spindle assembly checkpoint protein MAD2B | protein | 177 | 38% helix, 23% strand | Q9UI95 |
| C | Shieldin complex subunit 3 | protein | 59 | 15% helix, 15% strand | Q6ZNX1 |
| D | Shieldin complex subunit 2 | protein | 32 | 0% helix, 41% strand | Q86V20 |
Pockets
8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.44 | 0.81 | 13 | empty |
| 2 | 73 | 0.43 | 0.81 | 19 | empty |
| 3 | 86 | 0.43 | 0.80 | 18 | empty |
| 4 | 83 | 0.42 | 0.79 | 14 | empty |
| 5 | 102 | 0.40 | 0.76 | 23 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1616 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1309 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 900 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 843 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 769 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6KTO · Crystal structure of human SHLD3-C-REV7-O-REV7-SHLD2 complex · the same entry in another collection · chain D against D, 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 C against A, TM-score 0.79
- Q86V20 · AlphaFold monomer V2.0 prediction for shieldin complex subunit 2 (Q86V20) · a predicted model of the same protein · chain D against A, TM-score 0.35
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
- Every structure of UniProt Q86V20
- Elsewhere: RCSB PDB 6KTO · PDBe 6KTO · UniProt Q9UI95 · UniProt Q6ZNX1 · UniProt Q86V20
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