Research workbench
Crystal structure of nonribosomal peptide synthetases (nrps), FMOA3 (S1046A)-alpha-methyl-L-serine-AMP bound form
Analyse Crystal structure of nonribosomal peptide synthetases (nrps), FMOA3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LTD
- Type
- protein
- Length
- 1,765 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nonribosomal peptide synthetase
- UniProt
- A0A077JG85
- Ligands
- AMP, EW6
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nonribosomal peptide synthetase | protein | 883 | 30% helix, 20% strand | A0A077JG85 |
| B | Nonribosomal peptide synthetase | protein | 882 | 31% helix, 18% strand | A0A077JG85 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- EW6 · alpha-methyl-L-serine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 989 | 0.84 | 0.85 | 78 | empty |
| 2 | 952 | 0.83 | 0.84 | 92 | empty |
| 3 | 595 | 0.80 | 0.86 | 87 | empty |
| 4 | 1149 | 0.79 | 0.81 | 130 | AMP, EW6 |
| 5 | 871 | 0.79 | 0.82 | 109 | AMP, EW6 |
Interfaces
1 interface between chains.
- A–B · 932 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6LTD · Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3… · 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 A0A077JG85
- Elsewhere: RCSB PDB 6LTD · PDBe 6LTD · UniProt A0A077JG85
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