MolNFT v1 · #176275 · protein
Crystal structure of apo xczur
7DH7 · Transcriptional regulator fur family: “Crystal structure of apo xczur”. X-ray diffraction, 2 ligands (ZN, PO4), 6 pockets (best druggability 0.85). MolNFT v1 #176275 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7DH7
- Type
- protein
- Length
- 596 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator fur family
- UniProt
- Q4UWS5
- Ligands
- ZN, PO4
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator fur family | protein | 148 | 47% helix, 16% strand | Q4UWS5 |
| B | Transcriptional regulator fur family | protein | 148 | 47% helix, 16% strand | Q4UWS5 |
| C | Transcriptional regulator fur family | protein | 150 | 49% helix, 15% strand | Q4UWS5 |
| D | Transcriptional regulator fur family | protein | 150 | 47% helix, 15% strand | Q4UWS5 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 743 | 0.85 | 0.89 | 96 | empty |
| 2 | 461 | 0.83 | 0.90 | 68 | empty |
| 3 | 161 | 0.62 | 0.85 | 26 | empty |
| 4 | 173 | 0.55 | 0.81 | 30 | empty |
| 5 | 140 | 0.53 | 0.81 | 26 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1880 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 1835 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 502 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 403 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 346 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7DH7 · Crystal structure of apo XcZur · 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 Q4UWS5
- Elsewhere: RCSB PDB 7DH7 · PDBe 7DH7 · UniProt Q4UWS5
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