MolNFT v1 · #15583 · protein
Crystal structure of CYP175A1 from thermus thermophillus strain HB27
1N97: “Crystal structure of CYP175A1 from thermus thermophillus strain HB27”. X-ray diffraction, 2 ligands (SRT, HEM), 6 pockets (best druggability 0.85). MolNFT v1 #15583 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1N97
- Type
- protein
- Length
- 770 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CYP175A1
- UniProt
- Q746J6
- Ligands
- SRT, HEM
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CYP175A1 | protein | 385 | 57% helix, 11% strand | Q746J6 |
Ligands and binding sites
- SRT · S,R meso-tartaric acid · ligand · 2 copies · chains A, B
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 18 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 866 | 0.85 | 0.87 | 84 | HEM, EDO |
| 2 | 797 | 0.84 | 0.86 | 73 | HEM, EDO |
| 3 | 126 | 0.40 | 0.75 | 24 | empty |
| 4 | 98 | 0.39 | 0.76 | 17 | empty |
| 5 | 83 | 0.36 | 0.76 | 20 | EDO |
Interfaces
1 interface between chains.
- A–B · 54 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1N97 · Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27 · 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 Q746J6
- Elsewhere: RCSB PDB 1N97 · PDBe 1N97 · UniProt Q746J6
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