MolNFT v1 · #15560 · protein
Crystal structure of ahpc with active site cysteine mutated to serine (C46S)
1N8J · Alkyl hydroperoxide reductase C22 protein: “Crystal structure of ahpc with active site cysteine mutated to serine (C46S)”. X-ray diffraction, 20 pockets (best druggability 0.67). MolNFT v1 #15560 on GenesisL1: 3D structure, binding…
- PDB
- 1N8J
- Type
- protein
- Length
- 3,720 residues
- Chains
- 20
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkyl hydroperoxide reductase C22 protein
- EC
- 1.11.1.15
- UniProt
- P0A251
- Pockets
- 20 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T | Alkyl hydroperoxide reductase C22 protein (EC 1.11.1.15) | protein | 186 | 30% helix, 28% strand | P0A251 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.67 | 0.92 | 18 | empty |
| 2 | 74 | 0.67 | 0.92 | 18 | empty |
| 3 | 90 | 0.65 | 0.90 | 18 | empty |
| 4 | 76 | 0.65 | 0.91 | 18 | empty |
| 5 | 77 | 0.64 | 0.91 | 18 | empty |
Interfaces
48 interfaces between chains.
- K–L · 2047 Ų buried · 34 hydrogen bonds · protein-protein
- Q–R · 2035 Ų buried · 33 hydrogen bonds · protein-protein
- I–J · 2026 Ų buried · 31 hydrogen bonds · protein-protein
- S–T · 2020 Ų buried · 31 hydrogen bonds · protein-protein
- M–N · 2018 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 1N8J · Crystal Structure of AhpC with Active Site Cysteine mutated to Serine (C46S) · the same entry in another collection · chain K against K, 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 P0A251
- Elsewhere: RCSB PDB 1N8J · PDBe 1N8J · UniProt P0A251
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