MolNFT v1 · #173942 · protein
Thermogutta terrifontis esterase 2 phosphonylated by cyclosarin
7BFV: “Thermogutta terrifontis esterase 2 phosphonylated by cyclosarin”. X-ray diffraction, 2 ligands (NA, PO4), 2 pockets (best druggability 0.36). MolNFT v1 #173942 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BFV
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esterase
- EC
- 3.1.1.1
- UniProt
- A0A0X1KHD1
- Ligands
- NA, PO4
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esterase (EC 3.1.1.1) | protein | 264 | 31% helix, 21% strand | A0A0X1KHD1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 102 | 0.36 | 0.74 | 21 | PO4 |
| 2 | 59 | 0.28 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 7BFV · Thermogutta terrifontis esterase 2 phosphonylated by cyclosarin · 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 A0A0X1KHD1
- Elsewhere: RCSB PDB 7BFV · PDBe 7BFV · UniProt A0A0X1KHD1
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