MolNFT v1 · #124068 · protein
Structure of the amidase mutant E79A at 2.3 ångström resolution
5K4A · Intracellular PROTEASE/AMIDASE: “Structure of the amidase mutant E79A at 2.3 ångström resolution”. X-ray diffraction, 11 pockets (best druggability 0.70). MolNFT v1 #124068 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5K4A
- Type
- protein
- Length
- 1,686 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intracellular PROTEASE/AMIDASE
- EC
- 4.2.1.130
- UniProt
- A0A0H3AFW5
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, F, A, B, D, E | Intracellular PROTEASE/AMIDASE (EC 4.2.1.130) | protein | 281 | 38% helix, 17% strand | A0A0H3AFW5 |
Pockets
11 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 675 | 0.70 | 0.78 | 69 | empty |
| 2 | 472 | 0.66 | 0.78 | 63 | empty |
| 3 | 476 | 0.63 | 0.76 | 55 | empty |
| 4 | 487 | 0.62 | 0.76 | 55 | empty |
| 5 | 491 | 0.62 | 0.75 | 58 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1112 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 1064 Ų buried · 26 hydrogen bonds · protein-protein
- F–E · 1061 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 409 Ų buried · 4 hydrogen bonds · protein-protein
- C–B · 159 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5K4A · Structure of the amidase mutant E79A at 2.3 Angstrom resolution · the same entry in another collection · chain C against C, 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 A0A0H3AFW5
- Elsewhere: RCSB PDB 5K4A · PDBe 5K4A · UniProt A0A0H3AFW5
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