MolNFT v1 · #82317 · protein

Crystal structure of cutinase EST119 from thermobifida alba AHK119

3VIS · Esterase: “Crystal structure of cutinase EST119 from thermobifida alba AHK119”. X-ray diffraction, 1 pocket (best druggability 0.65). MolNFT v1 #82317 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3VIS
Type: protein
Length: 522 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Esterase
UniProt: F7IX06
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Esterase	protein	261	31% helix, 23% strand	F7IX06
B	Esterase	protein	261	31% helix, 22% strand	F7IX06

Ligands and binding sites

PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	481	0.65	0.77	47	PE4

Interfaces

1 interface between chains.

A–B · 206 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3VIS · Crystal structure of cutinase Est119 from Thermobifida alba AHK119 · the same entry in another collection · chain B against B, 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 F7IX06
Elsewhere: RCSB PDB 3VIS · PDBe 3VIS · UniProt F7IX06

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