MolNFT v1 · #161782 · protein
Crystal structure of the plp-bound C-S lyase in the external aldimine form from staphylococcus hominis complexed with an inhibitor, L- cycloserine.
6QP1 · Aminotransferase: “Crystal structure of the plp-bound C-S lyase in the external aldimine form from staphylococcus hominis…”. X-ray diffraction, 1 ligand (LCS), 10 pockets (best druggability 0.82). MolNFT v1 #161782 on GenesisL1: 3D…
- PDB
- 6QP1
- Type
- protein
- Length
- 784 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminotransferase
- Ligands
- LCS
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminotransferase | protein | 386 | 45% helix, 17% strand | — |
| B | Aminotransferase | protein | 398 | 42% helix, 17% strand | — |
Ligands and binding sites
- LCS · [5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1022 | 0.82 | 0.82 | 82 | LCS |
| 2 | 484 | 0.71 | 0.81 | 60 | LCS |
| 3 | 50 | 0.48 | 0.86 | 14 | empty |
| 4 | 92 | 0.46 | 0.80 | 19 | empty |
| 5 | 141 | 0.43 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2475 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 6QP1 · Crystal structure of the PLP-bound C-S lyase in the external aldimine form from… · the same entry in another collection · chain B against B, 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
- Elsewhere: RCSB PDB 6QP1 · PDBe 6QP1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.