MolNFT v1 · #135501 · protein
E. COLI dihydropteroate synthase complexed with 9-methylguanine
5U0W: “E. COLI dihydropteroate synthase complexed with 9-methylguanine”. X-ray diffraction, 1 ligand (9MG), 4 pockets (best druggability 0.62). MolNFT v1 #135501 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5U0W
- Type
- protein
- Length
- 533 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydropteroate synthase
- EC
- 2.5.1.15
- UniProt
- P0AC14
- Ligands
- 9MG
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydropteroate synthase (EC 2.5.1.15) | protein | 270 | 47% helix, 17% strand | P0AC14 |
| B | Dihydropteroate synthase (EC 2.5.1.15) | protein | 263 | 48% helix, 17% strand | P0AC14 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.62 | 0.81 | 36 | 9MG |
| 2 | 228 | 0.55 | 0.78 | 41 | 9MG |
| 3 | 83 | 0.40 | 0.78 | 19 | empty |
| 4 | 60 | 0.33 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1358 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
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 P0AC14
- Elsewhere: RCSB PDB 5U0W · PDBe 5U0W · UniProt P0AC14
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