MolNFT v1 · #94741 · protein
Crystal structure and catalytic mechanism for peroplasmic disulfide- bond isomerase dsbc from salmonella enterica serovar typhimurium
4I5Q · THIOL:DISULFIDE interchange protein dsbc: “Crystal structure and catalytic mechanism for peroplasmic disulfide- bond isomerase dsbc from salmonella…”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.48). MolNFT v1…
- PDB
- 4I5Q
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- THIOL:DISULFIDE interchange protein dsbc
- UniProt
- P55890
- Ligands
- MG
- Pockets
- 5 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | THIOL:DISULFIDE interchange protein dsbc | protein | 220 | 38% helix, 21% strand | P55890 |
| B | THIOL:DISULFIDE interchange protein dsbc | protein | 214 | 38% helix, 23% strand | P55890 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 228 | 0.48 | 0.74 | 47 | empty |
| 2 | 112 | 0.40 | 0.75 | 30 | empty |
| 3 | 74 | 0.33 | 0.74 | 13 | empty |
| 4 | 51 | 0.29 | 0.74 | 9 | empty |
| 5 | 51 | 0.28 | 0.75 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 962 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4I5Q · Crystal structure and catalytic mechanism for peroplasmic disulfide-bond isomerase DsbC… · the same entry in another collection · chain A against A, TM-score 1.00
- P55890 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsbc (P55890) · a predicted model of the same protein · chain B 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 P55890
- Elsewhere: RCSB PDB 4I5Q · PDBe 4I5Q · UniProt P55890
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