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A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12

Analyse A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6Z1L
Type: protein
Length: 226 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.29
Source: synthetic construct
Molecule: BH32.12 protein
Ligands: PO4
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · resolution 2.29 · 1 distinct chain · 55% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BH32.12 protein	protein	226	55% helix, 14% strand	—

Ligands and binding sites

PO4 · Phosphate ion · ion · chains A
EDO · 1,2-ethanediol · additive · chains A

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	649	0.74	0.80	63	PO4, EDO

Compared structures

6Z1L · A de novo enzyme for the morita-baylis-hillman reaction BH32.12 · 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 6Z1L · PDBe 6Z1L

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