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Crystal structure of de novo designed cysteine esterase ECH14, northeast structural genomics consortium target OR54

Analyse Crystal structure of de novo designed cysteine esterase ECH14, northeast… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UAK
Type: protein
Length: 792 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: De novo designed cysteine esterase ECH14
Pockets: 7 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	De novo designed cysteine esterase ECH14	protein	396	43% helix, 13% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1192	0.78	0.80	113	empty
2	1164	0.77	0.79	100	empty
3	133	0.45	0.77	31	empty
4	125	0.43	0.76	18	empty
5	67	0.31	0.75	19	empty

Interfaces

1 interface between chains.

A–B · 2997 Å² buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

3UAK · Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural… · 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 3UAK · PDBe 3UAK

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