MolNFT v1 · #154684 · protein
E. COLI atcase catalytic subunit mutant - G128/130A
6KJ9 · Aspartate carbamoyltransferase catalytic subunit: “E. COLI atcase catalytic subunit mutant - G128/130A”. X-ray diffraction, 15 pockets (best druggability 0.83). MolNFT v1 #154684 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6KJ9
- Type
- protein
- Length
- 1,758 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate carbamoyltransferase catalytic subunit
- EC
- 2.1.3.2
- UniProt
- P0A786
- Pockets
- 15 · best druggability 0.83
Structure
x-ray diffraction · 6 distinct chains · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate carbamoyltransferase catalytic subunit (EC 2.1.3.2) | protein | 301 | 43% helix, 15% strand | P0A786 |
| B | Aspartate carbamoyltransferase catalytic subunit (EC 2.1.3.2) | protein | 301 | 42% helix, 15% strand | P0A786 |
| C | Aspartate carbamoyltransferase catalytic subunit (EC 2.1.3.2) | protein | 291 | 42% helix, 16% strand | P0A786 |
| D | Aspartate carbamoyltransferase catalytic subunit (EC 2.1.3.2) | protein | 284 | 41% helix, 15% strand | P0A786 |
| E | Aspartate carbamoyltransferase catalytic subunit (EC 2.1.3.2) | protein | 283 | 41% helix, 16% strand | P0A786 |
| F | Aspartate carbamoyltransferase catalytic subunit (EC 2.1.3.2) | protein | 298 | 43% helix, 15% strand | P0A786 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 708 | 0.83 | 0.87 | 70 | empty |
| 2 | 1023 | 0.79 | 0.81 | 115 | empty |
| 3 | 728 | 0.74 | 0.80 | 86 | empty |
| 4 | 331 | 0.67 | 0.82 | 35 | empty |
| 5 | 325 | 0.63 | 0.79 | 44 | empty |
Interfaces
9 interfaces between chains.
- A–B · 867 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 835 Ų buried · 12 hydrogen bonds · protein-protein
- C–F · 822 Ų buried · 12 hydrogen bonds · protein-protein
- D–F · 818 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 807 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6KJ9 · E. coli ATCase catalytic subunit mutant - G128/130A · 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 P0A786
- Elsewhere: RCSB PDB 6KJ9 · PDBe 6KJ9 · UniProt P0A786
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