MolNFT v1 · #173935 · protein

Thermogutta terrifontis esterase 2 phosphonylated by vx

7BFO: “Thermogutta terrifontis esterase 2 phosphonylated by vx”. X-ray diffraction, 2 pockets (best druggability 0.65). MolNFT v1 #173935 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BFO
Type: protein
Length: 277 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Esterase
EC: 3.1.1.1
UniProt: A0A0X1KHD1
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Esterase (EC 3.1.1.1)	protein	277	31% helix, 20% strand	A0A0X1KHD1

Ligands and binding sites

EOH · Ethanol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	95	0.65	0.90	22	empty
2	88	0.34	0.74	19	EOH

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

7BFO · Thermogutta terrifontis esterase 2 phosphonylated by VX · 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 7BFO · PDBe 7BFO · UniProt A0A0X1KHD1

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