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MolNFT v1 · #146627 · protein

Spry domain-containing socs box protein 2 complexed with INNN(ABU) cyclic peptide inhibitor

6DN6: “Spry domain-containing socs box protein 2 complexed with INNN(ABU) cyclic peptide inhibitor”. X-ray diffraction, 1 ligand (ABU). MolNFT v1 #146627 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6DN6
Type
protein
Length
198 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spry domain-containing socs box protein 2; INNN(ABU) cyclic peptide inhibitor
UniProt
Q99619
Ligands
ABU

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpry domain-containing socs box protein 2protein19411% helix, 41% strandQ99619
BINNN(ABU) cyclic peptide inhibitorprotein40% helix, 0% strand—

Ligands and binding sites

  • ABU · Gamma-amino-butanoic acid · ligand · chains B

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

Interfaces

1 interface between chains.

  • A–B · 297 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 6DN6 · SPRY domain-containing SOCS box protein 2 complexed with INNN(ABU) cyclic peptide… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99619 · AlphaFold monomer V2.0 prediction for spry domain-containing socs box protein 2 (Q99619) · a predicted model of the same protein · chain A against A, TM-score 0.97

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