Research workbench
Structure of P97 N-D1 A232E mutant in complex with atpgs
Analyse Structure of P97 N-D1 A232E mutant in complex with atpgs in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KLN
- Type
- protein
- Length
- 2,706 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transitional endoplasmic reticulum ATPase
- EC
- 3.6.4.6
- UniProt
- P55072
- Ligands
- AGS, MG
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Transitional endoplasmic reticulum ATPase (EC 3.6.4.6) | protein | 451 | 38% helix, 23% strand | P55072 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 6 copies · chains A, B, C, D, E, F
- MG · Magnesium ion · metal · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 949 | 0.84 | 0.86 | 115 | AGS, MG |
| 2 | 937 | 0.84 | 0.86 | 98 | AGS, MG |
| 3 | 968 | 0.83 | 0.84 | 110 | AGS, MG |
| 4 | 1193 | 0.83 | 0.84 | 130 | AGS, MG |
| 5 | 931 | 0.83 | 0.85 | 94 | AGS, MG |
Interfaces
6 interfaces between chains.
- A–B · 2119 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2069 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 2052 Ų buried · 18 hydrogen bonds · protein-protein
- A–F · 2042 Ų buried · 21 hydrogen bonds · protein-protein
- D–E · 2038 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4KLN · Structure of p97 N-D1 A232E mutant in complex with ATPgS · the same entry in another collection · 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 P55072
- Elsewhere: RCSB PDB 4KLN · PDBe 4KLN · UniProt P55072
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