MolNFT v1 · #156366 · protein
Structure of the 2-aminoisobutyric acid monooxygenase hydroxylase
6M1W · Amidohydrolase: “Structure of the 2-aminoisobutyric acid monooxygenase hydroxylase”. X-ray diffraction, 4 ligands (FE, ZN, SO4), 5 pockets (best druggability 0.75). MolNFT v1 #156366 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6M1W
- Type
- protein
- Length
- 700 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amidohydrolase
- UniProt
- A0A402C2V4, A0A402C2Q3
- Ligands
- FE, ZN, SO4, CL
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amidohydrolase | protein | 354 | 42% helix, 14% strand | A0A402C2V4 |
| B | Amidohydrolase | protein | 346 | 40% helix, 12% strand | A0A402C2Q3 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains B
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- CL · Chloride ion · ion · chains B
- GOL · Glycerol · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.75 | 0.94 | 21 | empty |
| 2 | 296 | 0.62 | 0.79 | 37 | empty |
| 3 | 170 | 0.49 | 0.77 | 24 | empty |
| 4 | 118 | 0.42 | 0.76 | 16 | empty |
| 5 | 100 | 0.37 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2808 Ų buried · 47 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 6M1W · Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase · 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 A0A402C2V4
- Every structure of UniProt A0A402C2Q3
- Elsewhere: RCSB PDB 6M1W · PDBe 6M1W · UniProt A0A402C2V4 · UniProt A0A402C2Q3
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