MolNFT v1 · #176914 · protein
Crystal structure of phlh in complex with 2,4-diacetylphloroglucinol
7E1N · DUF1956 domain-containing protein: “Crystal structure of phlh in complex with 2,4-diacetylphloroglucinol”. X-ray diffraction, 1 ligand (ZHG), 5 pockets (best druggability 0.90). MolNFT v1 #176914 on GenesisL1: 3D structure, binding…
- PDB
- 7E1N
- Type
- protein
- Length
- 415 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DUF1956 domain-containing protein
- UniProt
- Q4JIX5
- Ligands
- ZHG
- Pockets
- 5 · best druggability 0.90
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DUF1956 domain-containing protein | protein | 210 | 80% helix, 0% strand | Q4JIX5 |
| B | DUF1956 domain-containing protein | protein | 205 | 80% helix, 0% strand | Q4JIX5 |
Ligands and binding sites
- ZHG · 2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 527 | 0.90 | 0.95 | 63 | ZHG |
| 2 | 81 | 0.53 | 0.85 | 19 | empty |
| 3 | 103 | 0.48 | 0.80 | 26 | empty |
| 4 | 65 | 0.41 | 0.81 | 18 | empty |
| 5 | 59 | 0.35 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2355 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7E1N · Crystal structure of PhlH in complex with 2,4-diacetylphloroglucinol · 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 Q4JIX5
- Elsewhere: RCSB PDB 7E1N · PDBe 7E1N · UniProt Q4JIX5
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