MolNFT v1 · #104787 · protein
Crystal structure of C-terminus truncated alkylhydroperoxide reductase subunit C (AHPC1-172) from E. COLI
4QL7: “Crystal structure of C-terminus truncated alkylhydroperoxide reductase subunit C (AHPC1-172) from E. COLI”. X-ray diffraction, 13 pockets (best druggability 0.72). MolNFT v1 #104787 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4QL7
- Type
- protein
- Length
- 832 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkylhydroperoxide reductase subunit C
- EC
- 1.8.1.-, 1.11.1.15
- UniProt
- C6EK89
- Pockets
- 13 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alkylhydroperoxide reductase subunit C (EC 1.8.1.-, 1.11.1.15) | protein | 166 | 29% helix, 28% strand | C6EK89 |
| C | Alkylhydroperoxide reductase subunit C (EC 1.8.1.-, 1.11.1.15) | protein | 170 | 28% helix, 27% strand | C6EK89 |
| D, E | Alkylhydroperoxide reductase subunit C (EC 1.8.1.-, 1.11.1.15) | protein | 165 | 25% helix, 29% strand | C6EK89 |
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.72 | 0.92 | 20 | empty |
| 2 | 135 | 0.71 | 0.91 | 20 | empty |
| 3 | 259 | 0.56 | 0.77 | 48 | empty |
| 4 | 171 | 0.52 | 0.79 | 32 | empty |
| 5 | 119 | 0.49 | 0.80 | 19 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1457 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1245 Ų buried · 17 hydrogen bonds · protein-protein
- D–E · 702 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 678 Ų buried · 1 hydrogen bond · protein-protein
- C–E · 18 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4QL7 · Crystal structure of C-terminus truncated Alkylhydroperoxide Reductase subunit C… · 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 C6EK89
- Elsewhere: RCSB PDB 4QL7 · PDBe 4QL7 · UniProt C6EK89
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