MolNFT v1 · #121139 · protein
Crystal structure of triazine hydrolase variant (P214T/Y215H)
5HME: “Crystal structure of triazine hydrolase variant (P214T/Y215H)”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.80). MolNFT v1 #121139 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5HME
- Type
- protein
- Length
- 911 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triazine hydrolase
- EC
- 3.8.1.8
- UniProt
- Q6SJY7
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triazine hydrolase (EC 3.8.1.8) | protein | 456 | 38% helix, 22% strand | Q6SJY7 |
| B | Triazine hydrolase (EC 3.8.1.8) | protein | 455 | 38% helix, 22% strand | Q6SJY7 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 134 | 0.80 | 0.98 | 34 | empty |
| 2 | 243 | 0.75 | 0.89 | 38 | empty |
| 3 | 267 | 0.74 | 0.87 | 47 | ZN |
| 4 | 400 | 0.65 | 0.79 | 42 | empty |
| 5 | 139 | 0.64 | 0.87 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2739 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 5HME · Crystal structure of Triazine Hydrolase variant (P214T/Y215H) · 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 Q6SJY7
- Elsewhere: RCSB PDB 5HME · PDBe 5HME · UniProt Q6SJY7
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