Research workbench
Crystal structure of an engineered zn-RIDC1 construct with four interfacial disulfide bonds
Analyse Crystal structure of an engineered zn-RIDC1 construct with four interfacial… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JEA
- Type
- protein
- Length
- 424 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble cytochrome B562
- UniProt
- P0ABE7
- Ligands
- HEM, ZN, SO4
- Pockets
- 7 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Soluble cytochrome B562 | protein | 106 | 80% helix, 0% strand | P0ABE7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 4 copies · chains A, B, D, C
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1188 | 0.89 | 0.91 | 148 | HEM, SO4 |
| 2 | 192 | 0.69 | 0.87 | 20 | empty |
| 3 | 196 | 0.68 | 0.86 | 27 | SO4 |
| 4 | 186 | 0.68 | 0.86 | 26 | empty |
| 5 | 175 | 0.66 | 0.86 | 22 | empty |
Interfaces
6 interfaces between chains.
- C–D · 594 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 567 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 566 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 556 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 262 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor, 4 disulfide (heme attachment, disulfide).
Compared structures
- 4JEA · Crystal structure of an engineered Zn-RIDC1 construct with four interfacial disulfide… · the same entry in another collection · chain D against D, TM-score 1.00
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P0ABE7
- Elsewhere: RCSB PDB 4JEA · PDBe 4JEA · UniProt P0ABE7
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