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MolNFT v1 · #68605 · protein

Crystal structure of BRCA1 brct D1840T in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus

3K16 · Breast cancer type 1 susceptibility protein: “Crystal structure of BRCA1 brct D1840T in complex with a minimal recognition tetrapeptide with a free carboxy…”. X-ray diffraction, 2 ligands (NI, CL). MolNFT v1 #68605 on GenesisL1: 3D…

PDB
3K16
Type
protein
Length
215 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Breast cancer type 1 susceptibility protein; Phospho peptide
EC
6.3.2.-
UniProt
P38398
Ligands
NI, CL

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABreast cancer type 1 susceptibility protein (EC 6.3.2.-)protein21134% helix, 18% strandP38398
BPhospho peptideprotein40% helix, 0% strand—

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A
  • CL · Chloride ion · ion · chains B

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

Interfaces

1 interface between chains.

  • A–B · 381 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 3K16 · Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide… · the same entry in another collection · chain A against A, TM-score 1.00
  • P38398 · AlphaFold monomer V2.0 prediction for breast cancer type 1 susceptibility protein (P38398) · a predicted model of the same protein · chain A against A, TM-score 0.98

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