Research workbench
Crystal structure of GROEL14-GROES7-(ADP-ALFX)7
Analyse Crystal structure of GROEL14-GROES7-(ADP-ALFX)7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1SVT
- Type
- protein
- Length
- 8,015 residues
- Chains
- 21
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Groel protein; Groes protein
- UniProt
- P0A6F5, P0A6F9
- Ligands
- ADP, AF3, MG, K
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N | Groel protein | protein | 524 | 52% helix, 19% strand | P0A6F5 |
| O, P, Q, R, S, T, U | Groes protein | protein | 97 | 3% helix, 42% strand | P0A6F9 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 7 copies · chains A, B, C, D, E, F, G
- AF3 · Aluminum fluoride · ligand · 7 copies · chains A, B, C, D, E, F, G
- MG · Magnesium ion · metal · 7 copies · chains A, B, C, D, E, F, G
- K · Potassium ion · metal · 7 copies · chains A, B, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 322 | 0.81 | 0.91 | 53 | MG, K, ADP, AF3 |
| 2 | 345 | 0.80 | 0.90 | 50 | MG, K, ADP, AF3 |
| 3 | 374 | 0.80 | 0.89 | 55 | MG, K, ADP, AF3 |
| 4 | 363 | 0.80 | 0.89 | 55 | MG, K, ADP, AF3 |
| 5 | 757 | 0.80 | 0.84 | 88 | MG, K, ADP, AF3 |
Interfaces
49 interfaces between chains.
- A–G · 1794 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1790 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1766 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1754 Ų buried · 18 hydrogen bonds · protein-protein
- D–E · 1751 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1SVT · Crystal structure of GroEL14-GroES7-(ADP-AlFx)7 · the same entry in another collection · chain P against P, 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 P0A6F5
- Every structure of UniProt P0A6F9
- Elsewhere: RCSB PDB 1SVT · PDBe 1SVT · UniProt P0A6F5 · UniProt P0A6F9
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