MolNFT v1 · #84490 · protein
Native structure of farnesyl pyrophosphate synthase from pseudomonas aeruginosa PA01, with bound fragment SPB02696.
3ZMB · Geranyltranstransferase: “Native structure of farnesyl pyrophosphate synthase from pseudomonas aeruginosa PA01, with bound fragment…”. X-ray diffraction, 2 ligands (6H6, CL), 5 pockets (best druggability 0.66). MolNFT v1 #84490 on…
- PDB
- 3ZMB
- Type
- protein
- Length
- 549 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Geranyltranstransferase
- EC
- 2.5.1.10
- UniProt
- Q9HWY4
- Ligands
- 6H6, CL
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Geranyltranstransferase (EC 2.5.1.10) | protein | 275 | 74% helix, 1% strand | Q9HWY4 |
| B | Geranyltranstransferase (EC 2.5.1.10) | protein | 274 | 74% helix, 1% strand | Q9HWY4 |
Ligands and binding sites
- 6H6 · 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid · ligand · 3 copies · chains A, B
- CL · Chloride ion · ion · chains B
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 530 | 0.66 | 0.77 | 61 | 6H6 |
| 2 | 443 | 0.65 | 0.78 | 46 | 6H6, DMS |
| 3 | 209 | 0.52 | 0.77 | 34 | empty |
| 4 | 177 | 0.49 | 0.77 | 28 | empty |
| 5 | 53 | 0.29 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1963 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3ZMB · Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PA01… · 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 Q9HWY4
- Elsewhere: RCSB PDB 3ZMB · PDBe 3ZMB · UniProt Q9HWY4
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