Research workbench
GROEL14-(ATPGAMMAS)14
Analyse GROEL14-(ATPGAMMAS)14 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1SX3
- Type
- protein
- Length
- 7,350 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Groel protein
- UniProt
- P0A6F5
- Ligands
- AGS, K, MG
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 19% 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 | 525 | 52% helix, 19% strand | P0A6F5 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N
- K · Potassium ion · metal · 16 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N
- MG · Magnesium ion · metal · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N
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 | 815 | 0.76 | 0.80 | 82 | MG, AGS |
| 2 | 803 | 0.75 | 0.79 | 81 | MG, K, AGS |
| 3 | 1151 | 0.75 | 0.78 | 97 | MG, K, AGS |
| 4 | 987 | 0.75 | 0.78 | 85 | MG, K, AGS |
| 5 | 958 | 0.75 | 0.78 | 82 | MG, K, AGS |
Interfaces
28 interfaces between chains.
- B–C · 1747 Ų buried · 17 hydrogen bonds · protein-protein
- H–N · 1731 Ų buried · 19 hydrogen bonds · protein-protein
- D–E · 1724 Ų buried · 19 hydrogen bonds · protein-protein
- A–G · 1703 Ų buried · 22 hydrogen bonds · protein-protein
- H–I · 1675 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1SX3 · GroEL14-(ATPgammaS)14 · the same entry in another collection · chain J against J, 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
- Elsewhere: RCSB PDB 1SX3 · PDBe 1SX3 · UniProt P0A6F5
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