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MolNFT v1 · #184730 · protein

Mitoneet bound to M1 molecule

7P0O · Cdgsh iron-sulfur domain-containing protein 1: “Mitoneet bound to M1 molecule”. X-ray diffraction, 3 ligands (FES, 49I, 4OY). MolNFT v1 #184730 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7P0O
Type
protein
Length
132 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cdgsh iron-sulfur domain-containing protein 1
UniProt
Q9NZ45
Ligands
FES, 49I, 4OY

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACdgsh iron-sulfur domain-containing protein 1protein6618% helix, 24% strandQ9NZ45
BCdgsh iron-sulfur domain-containing protein 1protein6618% helix, 23% strandQ9NZ45

Ligands and binding sites

  • FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, B
  • 49I · 2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid · ligand · chains A, B
  • 4OY · 2-benzamido-4-[(2~{S})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid · ligand · 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 · 2078 Ų buried · 51 hydrogen bonds · protein-protein

Compared structures

  • 7P0O · mitoNEET bound to M1 molecule · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NZ45 · AlphaFold monomer V2.0 prediction for cdgsh iron-sulfur domain- containing protein 1… · a predicted model of the same protein · chain B against A, TM-score 0.96

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