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Solution NMR refinement of a metal ion bound protein using quantum MECHANICAL/MOLECULAR mechanical and molecular dynamics methods

Analyse Solution NMR refinement of a metal ion bound protein using quantum… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2M30
Type
protein
Length
190 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Repressor protein
UniProt
Q7A4C3
Ligands
ZN

Structure

solution nmr · 1 distinct chain · 53% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRepressor proteinprotein9553% helix, 13% strandQ7A4C3

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.

Interfaces

1 interface between chains.

  • A–B · 1534 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 2M30 · Solution NMR refinement of a metal ion bound protein using quantum mechanical/molecular… · the same entry in another collection · chain A against A, TM-score 1.00

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