MolNFT v1 · #154575 · protein
Amino-transferase (amt) domain - arg complex of hybrid POLYKETIDE/NON- ribosomal peptide synthetase
6KFR · Mycosubtilin synthase subunit a: “Amino-transferase (amt) domain - arg complex of hybrid POLYKETIDE/NON- ribosomal peptide synthetase”. X-ray diffraction, 2 ligands (PLP, ARG), 7 pockets (best druggability 0.80). MolNFT v1 #154575…
- PDB
- 6KFR
- Type
- protein
- Length
- 898 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mycosubtilin synthase subunit a
- EC
- 2.3.1.-
- UniProt
- Q9R9J1
- Ligands
- PLP, ARG
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mycosubtilin synthase subunit a (EC 2.3.1.-) | protein | 449 | 43% helix, 17% strand | Q9R9J1 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- ARG · Arginine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.80 | 0.97 | 28 | empty |
| 2 | 160 | 0.79 | 0.95 | 30 | empty |
| 3 | 506 | 0.72 | 0.81 | 68 | PLP, ARG |
| 4 | 507 | 0.72 | 0.81 | 75 | ARG, PLP |
| 5 | 56 | 0.68 | 0.97 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 5291 Ų buried · 77 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 6KFR · Amino-transferase (AMT) Domain - Arg Complex of Hybrid Polyketide/Non-Ribosomal Peptide… · 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 Q9R9J1
- Elsewhere: RCSB PDB 6KFR · PDBe 6KFR · UniProt Q9R9J1
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