MolNFT v1 · #13237 · protein
Crystal structure of vibh, an nrps condensation enzyme
1L5A · Amide synthase: “Crystal structure of vibh, an nrps condensation enzyme”. X-ray diffraction, 14 pockets (best druggability 0.81). MolNFT v1 #13237 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1L5A
- Type
- protein
- Length
- 1,272 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amide synthase
- UniProt
- Q9KTV9
- Pockets
- 14 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Amide synthase | protein | 424 | 42% helix, 21% strand | Q9KTV9 |
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1169 | 0.81 | 0.82 | 88 | empty |
| 2 | 1188 | 0.80 | 0.82 | 82 | empty |
| 3 | 992 | 0.80 | 0.82 | 73 | empty |
| 4 | 112 | 0.55 | 0.84 | 30 | empty |
| 5 | 238 | 0.53 | 0.77 | 39 | empty |
Interfaces
3 interfaces between chains.
- A–B · 274 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 265 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 58 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1L5A · Crystal Structure of VibH, an NRPS Condensation Enzyme · 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 Q9KTV9
- Elsewhere: RCSB PDB 1L5A · PDBe 1L5A · UniProt Q9KTV9
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