MolNFT v1 · #154613 · protein
Hocl-induced flavoprotein disulfide reductase rcla from escherichia COLI
6KGY · Pyridine nucleotide-disulphide oxidoreductase dimerisation…: “Hocl-induced flavoprotein disulfide reductase rcla from escherichia COLI”. X-ray diffraction, 2 ligands (FAD, CL), 14 pockets (best druggability 0.83). MolNFT v1 #154613…
- PDB
- 6KGY
- Type
- protein
- Length
- 1,757 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyridine nucleotide-disulphide oxidoreductase dimerisation region
- UniProt
- A0A140ND83
- Ligands
- FAD, CL
- Pockets
- 14 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyridine nucleotide-disulphide oxidoreductase dimerisation region | protein | 435 | 32% helix, 24% strand | A0A140ND83 |
| B, C | Pyridine nucleotide-disulphide oxidoreductase dimerisation region | protein | 441 | 33% helix, 23% strand | A0A140ND83 |
| D | Pyridine nucleotide-disulphide oxidoreductase dimerisation region | protein | 440 | 32% helix, 25% strand | A0A140ND83 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 3 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1091 | 0.83 | 0.84 | 106 | FAD |
| 2 | 1149 | 0.81 | 0.83 | 124 | FAD, CL |
| 3 | 456 | 0.79 | 0.87 | 52 | empty |
| 4 | 745 | 0.78 | 0.82 | 88 | FAD |
| 5 | 399 | 0.77 | 0.87 | 56 | FAD |
Interfaces
3 interfaces between chains.
- A–B · 2440 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 2370 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 848 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6KGY · HOCl-induced flavoprotein disulfide reductase RclA from Escherichia coli · 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 A0A140ND83
- Elsewhere: RCSB PDB 6KGY · PDBe 6KGY · UniProt A0A140ND83
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