MolNFT v1 · #62678 · protein
Crystal structure of the S-acetanilide modified form of C165S ahpc
3EMP · Alkyl hydroperoxide reductase subunit C: “Crystal structure of the S-acetanilide modified form of C165S ahpc”. X-ray diffraction, 8 pockets (best druggability 0.64). MolNFT v1 #62678 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3EMP
- Type
- protein
- Length
- 809 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkyl hydroperoxide reductase subunit C
- EC
- 1.11.1.15
- UniProt
- P0A251
- Pockets
- 8 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkyl hydroperoxide reductase subunit C (EC 1.11.1.15) | protein | 161 | 31% helix, 29% strand | P0A251 |
| B, C, D, E | Alkyl hydroperoxide reductase subunit C (EC 1.11.1.15) | protein | 162 | 32% helix, 30% strand | P0A251 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.64 | 0.90 | 18 | empty |
| 2 | 88 | 0.62 | 0.89 | 15 | empty |
| 3 | 192 | 0.56 | 0.80 | 37 | empty |
| 4 | 142 | 0.53 | 0.80 | 30 | empty |
| 5 | 66 | 0.52 | 0.87 | 27 | empty |
Interfaces
4 interfaces between chains.
- C–D · 988 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 985 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 679 Ų buried · 0 hydrogen bonds · protein-protein
- D–E · 666 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3EMP · Crystal Structure of the S-acetanilide modified form of C165S AhpC · the same entry in another collection · chain E against E, TM-score 1.00
- P0A251 · AlphaFold monomer V2.0 prediction for alkyl hydroperoxide reductase C (P0A251) · a predicted model of the same protein · chain D against A, TM-score 0.98
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 P0A251
- Elsewhere: RCSB PDB 3EMP · PDBe 3EMP · UniProt P0A251
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