MolNFT v1 · #147581 · protein
Structural insight into a promiscuous CE15 esterase from the marine bacterial metagenome
6EHN · Carbohydrate esterase MZ0003: “Structural insight into a promiscuous CE15 esterase from the marine bacterial metagenome”. X-ray diffraction, 3 pockets (best druggability 0.57). MolNFT v1 #147581 on GenesisL1: 3D structure, binding…
- PDB
- 6EHN
- Type
- protein
- Length
- 397 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbohydrate esterase MZ0003
- EC
- 3.1.1.-
- UniProt
- A0A0K2VM55
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbohydrate esterase MZ0003 (EC 3.1.1.-) | protein | 397 | 36% helix, 18% strand | A0A0K2VM55 |
Ligands and binding sites
- GOL · Glycerol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 370 | 0.57 | 0.75 | 45 | empty |
| 2 | 171 | 0.50 | 0.78 | 33 | GOL |
| 3 | 73 | 0.34 | 0.76 | 18 | empty |
Compared structures
- 6EHN · Structural insight into a promiscuous CE15 esterase from the marine bacterial metagenome · 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 A0A0K2VM55
- Elsewhere: RCSB PDB 6EHN · PDBe 6EHN · UniProt A0A0K2VM55
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