MolNFT v1 · #31898 · protein
Crystal structure of cla-producing fatty acid isomerase from P. acnes
2B9Y · Putative aminooxidase: “Crystal structure of cla-producing fatty acid isomerase from P. acnes”. X-ray diffraction, 3 ligands (FAD, CL, SO4), 3 pockets (best druggability 0.82). MolNFT v1 #31898 on GenesisL1: 3D structure, binding…
- PDB
- 2B9Y
- Type
- protein
- Length
- 423 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative aminooxidase
- Ligands
- FAD, CL, SO4
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative aminooxidase | protein | 423 | 38% helix, 21% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- BU1 · 1,4-butanediol · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.82 | 0.88 | 71 | CL, FAD, BU1 |
| 2 | 192 | 0.56 | 0.80 | 31 | BU1 |
| 3 | 53 | 0.33 | 0.77 | 13 | empty |
Compared structures
- 2B9Y · Crystal structure of CLA-producing fatty acid isomerase from P. acnes · 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
- Elsewhere: RCSB PDB 2B9Y · PDBe 2B9Y
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