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MolNFT v1 · #17508 · protein

Crystal structure of four-helix bundle model di-MN(II)-DF1-L13

1OVR: “Crystal structure of four-helix bundle model di-MN(II)-DF1-L13”. X-ray diffraction, 3 ligands (ACE, MN, NH2). MolNFT v1 #17508 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1OVR
Type
protein
Length
192 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Four-helix bundle model di-MN(II)-DF1-L13
Ligands
ACE, MN, NH2

Structure

x-ray diffraction · 1 distinct chain · 90% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DFour-helix bundle model di-MN(II)-DF1-L13protein4890% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · 4 copies · chains A, B, C, D
  • MN · Manganese (II) ion · metal · 5 copies · chains A, B, C, D
  • NH2 · Amino group · ion · 4 copies · chains A, B, C, D

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

Interfaces

2 interfaces between chains.

  • C–D · 1024 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 80 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 1OVR · CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Mn(II)-DF1-L13 · the same entry in another collection · chain A against A, TM-score 1.00

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