MolNFT v1 · #135504 · protein
E. COLI dihydropteroate synthase complexed with pteroic acid
5U10: “E. COLI dihydropteroate synthase complexed with pteroic acid”. X-ray diffraction, 2 ligands (PT1, PO4), 4 pockets (best druggability 0.66). MolNFT v1 #135504 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5U10
- Type
- protein
- Length
- 538 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
- PT1, PO4
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydropteroate synthase (EC 2.5.1.15) | protein | 275 | 45% helix, 16% strand | P0AC14 |
| B | Dihydropteroate synthase (EC 2.5.1.15) | protein | 263 | 47% helix, 17% strand | P0AC14 |
Ligands and binding sites
- PT1 · Pteroic acid · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
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 | 209 | 0.66 | 0.85 | 35 | PO4, PT1 |
| 2 | 176 | 0.56 | 0.81 | 31 | PO4, PT1 |
| 3 | 62 | 0.40 | 0.80 | 13 | empty |
| 4 | 60 | 0.36 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1333 Ų buried · 7 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 5U10 · PDBe 5U10 · UniProt P0AC14
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