MolNFT v1 · #59919 · protein
Crystal structure of putative methyltransferase (YP_321342.1) from anabaena variabilis atcc 29413 at 1.90 a resolution
3CCF · Cyclopropane-fatty-acyl-phospholipid synthase: “Crystal structure of putative methyltransferase (YP_321342.1) from anabaena variabilis atcc 29413 at 1.90 a…”. X-ray diffraction, 1 ligand (BEZ), 2 pockets (best druggability 0.66).…
- PDB
- 3CCF
- Type
- protein
- Length
- 480 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclopropane-fatty-acyl-phospholipid synthase
- EC
- 2.1.1.144
- UniProt
- Q3MEY9
- Ligands
- BEZ
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.144) | protein | 238 | 43% helix, 25% strand | Q3MEY9 |
| B | Cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.144) | protein | 242 | 42% helix, 26% strand | Q3MEY9 |
Ligands and binding sites
- BEZ · Benzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.66 | 0.78 | 54 | BEZ |
| 2 | 378 | 0.61 | 0.77 | 52 | BEZ |
Interfaces
1 interface between chains.
- A–B · 542 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3CCF · Crystal structure of putative methyltransferase (YP_321342.1) from Anabaena variabilis… · 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 Q3MEY9
- Elsewhere: RCSB PDB 3CCF · PDBe 3CCF · UniProt Q3MEY9
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