MolNFT v2 · #136322 · protein
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one
5U13: “E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative…”. X-ray diffraction at 1.951, 1 ligand (YH5). MolNFT v2 #136322 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5U13
- Type
- protein
- Length
- 532 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.951
- Source
- Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC)
- UniProt
- P0AC14
- Ligands
- YH5
Structure
x-ray diffraction · resolution 1.951 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 272 | — | P0AC14 |
| B | — | protein | 260 | — | P0AC14 |
Ligands and binding sites
- YH5 · 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5U13 · E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AC14 · AlphaFold monomer V2.0 prediction for dihydropteroate synthase (P0AC14) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 5U13 · PDBe 5U13 · UniProt P0AC14
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