Research workbench
Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor - SMG1 body
Analyse Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor - SMG1 body in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7PW6
- Type
- protein
- Length
- 1,416 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase SMG1,SERINE/THREONINE- protein kinase…
- EC
- 2.7.11.1
- UniProt
- Q96Q15
- Ligands
- IHP, 88C
- Pockets
- 18 · best druggability 0.84
Structure
electron microscopy · 1 distinct chain · 63% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase SMG1,SERINE/THREONINE- protein kinase SMG1,SERINE/THREONINE-protein kinase SMG1, SERINE/THREONINE-protein kinase SMG1,SERINE/THREONINE-protein kinase SMG1,SERINE/THREONINE-protein kinase SMG1,SERINE/THREONINE-protein kinase SMG1 (EC 2.7.11.1) | protein | 1416 | 63% helix, 3% strand | Q96Q15 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · chains A
- 88C · 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl) phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 792 | 0.84 | 0.87 | 86 | empty |
| 2 | 835 | 0.76 | 0.80 | 71 | empty |
| 3 | 82 | 0.76 | 0.98 | 19 | empty |
| 4 | 395 | 0.73 | 0.84 | 56 | empty |
| 5 | 96 | 0.73 | 0.94 | 20 | empty |
Compared structures
- 7PW6 · Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor - SMG1 body · the same entry in another collection · chain A against A, TM-score 1.00
- 7PW5 · Human SMG1-8-9 kinase complex with AlphaFold predicted SMG8 C-terminus, bound to a SMG1… · a predicted model of the same protein · chain A against A, TM-score 1.00
- 7PW5 · Human SMG1-8-9 kinase complex with AlphaFold predicted SMG8 C- terminus, bound to a SMG1… · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q96Q15
- Elsewhere: RCSB PDB 7PW6 · PDBe 7PW6 · UniProt Q96Q15
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