MolNFT v1 · #84906 · protein
Structure determination of esta from arthrobacter nitroguajacolicus RUE61A
3ZYT · Esterase a: “Structure determination of esta from arthrobacter nitroguajacolicus RUE61A”. X-ray diffraction, 1 ligand (EMC), 3 pockets (best druggability 0.67). MolNFT v1 #84906 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3ZYT
- Type
- protein
- Length
- 372 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esterase a
- UniProt
- Q7WSR1
- Ligands
- EMC
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esterase a | protein | 372 | 38% helix, 17% strand | Q7WSR1 |
Ligands and binding sites
- EMC · Ethyl mercury ion · ligand · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 418 | 0.67 | 0.80 | 47 | empty |
| 2 | 54 | 0.57 | 0.90 | 18 | empty |
| 3 | 53 | 0.30 | 0.76 | 17 | empty |
Compared structures
- 3ZYT · Structure Determination of EstA from Arthrobacter nitroguajacolicus Rue61a · 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 Q7WSR1
- Elsewhere: RCSB PDB 3ZYT · PDBe 3ZYT · UniProt Q7WSR1
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