MolNFT v1 · #113735 · protein
The structure of a novel thermophilic esterase from the planctomycetes species, thermogutta terrifontis, EST2-native
5AO9: “The structure of a novel thermophilic esterase from the planctomycetes species, thermogutta terrifontis…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.40). MolNFT v1 #113735 on GenesisL1: 3D structure, binding…
- PDB
- 5AO9
- Type
- protein
- Length
- 280 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esterase
- EC
- 3.1.1.1
- Ligands
- CL
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esterase (EC 3.1.1.1) | protein | 280 | 37% helix, 20% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.40 | 0.74 | 23 | PEG, EDO |
| 2 | 82 | 0.37 | 0.76 | 17 | EDO |
| 3 | 52 | 0.28 | 0.76 | 18 | EPE |
Compared structures
- 5AO9 · The structure of a novel thermophilic esterase from the Planctomycetes species… · 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
- Elsewhere: RCSB PDB 5AO9 · PDBe 5AO9
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