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MolNFT v1 · #138512 · protein

De novo design of polynuclear transition metal clusters in helix bundles-4DH1

5WLL: “De novo design of polynuclear transition metal clusters in helix bundles-4DH1”. X-ray diffraction, 3 ligands (ACE, ZN, NH2). MolNFT v1 #138512 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5WLL
Type
protein
Length
104 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Ligands
ACE, ZN, NH2

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D—protein26——

Ligands and binding sites

  • ACE · Acetyl group · ligand · 4 copies · chains A, B, D, C
  • ZN · Zinc ion · metal · 5 copies · chains A, B, C, D
  • NH2 · Amino group · ion · 4 copies · chains A, C, B, D
  • GOL · Glycerol · additive · 2 copies · chains B

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

Compared structures

  • 5WLL · De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH1 · the same entry in another collection · chain A against A, TM-score 1.00

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