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MolNFT v1 · #14264 · protein

Crystal structure of a molecular maquette scaffold

1M3W · H10H24: “Crystal structure of a molecular maquette scaffold”. X-ray diffraction, 2 ligands (HG, NH2). MolNFT v1 #14264 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1M3W
Type
protein
Length
120 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
H10H24
Ligands
HG, NH2

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DH10H24protein3090% helix, 0% strand—

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 2 copies · chains C, D, A, B
  • NH2 · Amino group · ion · 4 copies · chains A, B, D, C

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

Interfaces

6 interfaces between chains.

  • A–C · 767 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 689 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 685 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 583 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 110 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1M3W · Crystal Structure of a Molecular Maquette Scaffold · the same entry in another collection · chain A against A, TM-score 1.00

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