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Crystal structure of de novo designed MID1-zinc H12E mutant

Analyse Crystal structure of de novo designed MID1-zinc H12E mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3V1E
Type: protein
Length: 86 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Computational design, MID1-zinc H12E mutant
Ligands: ZN
Pockets: 1 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Computational design, MID1-zinc H12E mutant	protein	43	86% helix, 0% strand	—
B	Computational design, MID1-zinc H12E mutant	protein	43	70% helix, 0% strand	—

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · 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	193	0.58	0.81	22	empty

Interfaces

1 interface between chains.

A–B · 491 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

3V1E · Crystal structure of de novo designed MID1-zinc H12E mutant · 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 3V1E · PDBe 3V1E

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