MolNFT v1 · #105031 · protein
Crystal structure of listeria monocytogenes pyruvate carboxylase
4QSL: “Crystal structure of listeria monocytogenes pyruvate carboxylase”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #105031 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QSL
- Type
- protein
- Length
- 8,107 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyruvate carboxylase
- EC
- 6.4.1.1
- UniProt
- W6G6F5
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 5 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, D | Pyruvate carboxylase (EC 6.4.1.1) | protein | 1029 | 43% helix, 18% strand | W6G6F5 |
| F, A | Pyruvate carboxylase (EC 6.4.1.1) | protein | 1052 | 43% helix, 19% strand | W6G6F5 |
| E, B | Pyruvate carboxylase (EC 6.4.1.1) | protein | 1031 | 42% helix, 18% strand | W6G6F5 |
| G | Pyruvate carboxylase (EC 6.4.1.1) | protein | 942 | 41% helix, 20% strand | W6G6F5 |
| C | Pyruvate carboxylase (EC 6.4.1.1) | protein | 941 | 41% helix, 20% strand | W6G6F5 |
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 | 873 | 0.85 | 0.87 | 118 | empty |
| 2 | 905 | 0.83 | 0.85 | 97 | empty |
| 3 | 457 | 0.82 | 0.89 | 61 | empty |
| 4 | 180 | 0.81 | 0.96 | 23 | empty |
| 5 | 747 | 0.81 | 0.85 | 98 | empty |
Interfaces
11 interfaces between chains.
- A–B · 2396 Ų buried · 26 hydrogen bonds · protein-protein
- F–E · 2393 Ų buried · 25 hydrogen bonds · protein-protein
- D–C · 2362 Ų buried · 33 hydrogen bonds · protein-protein
- H–G · 2358 Ų buried · 32 hydrogen bonds · protein-protein
- D–A · 1436 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4QSL · Crystal Structure of Listeria Monocytogenes Pyruvate Carboxylase · the same entry in another collection · chain H against H, 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 W6G6F5
- Elsewhere: RCSB PDB 4QSL · PDBe 4QSL · UniProt W6G6F5
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