MolNFT v1 · #172735 · protein
Crystal structure of siderophore reductase foxb
7ABW · Pepsy domain-containing protein: “Crystal structure of siderophore reductase foxb”. X-ray diffraction, 2 ligands (HEM, ZN), 6 pockets (best druggability 0.83). MolNFT v1 #172735 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7ABW
- Type
- protein
- Length
- 725 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pepsy domain-containing protein
- UniProt
- A0A0C7CRS7
- Ligands
- HEM, ZN
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pepsy domain-containing protein | protein | 360 | 53% helix, 13% strand | A0A0C7CRS7 |
| B | Pepsy domain-containing protein | protein | 365 | 53% helix, 13% strand | A0A0C7CRS7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B
- ZN · Zinc ion · metal · 3 copies · chains A, B
- DMU · Decyl-beta-D-maltopyranoside · additive · 5 copies · chains A, B
- PE5 · 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 771 | 0.83 | 0.86 | 79 | HEM |
| 2 | 1173 | 0.80 | 0.81 | 95 | HEM, ZN |
| 3 | 493 | 0.79 | 0.86 | 57 | HEM |
| 4 | 285 | 0.68 | 0.83 | 34 | HEM |
| 5 | 67 | 0.33 | 0.75 | 12 | DMU |
Interfaces
1 interface between chains.
- A–B · 574 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7ABW · Crystal structure of siderophore reductase FoxB · 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 A0A0C7CRS7
- Elsewhere: RCSB PDB 7ABW · PDBe 7ABW · UniProt A0A0C7CRS7
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