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MolNFT v1 · #36689 · protein + DNA

Crystal structure of alkb in complex with CO(II), 2-oxoglutarate, and methylated trinucleotide T-mea-T

2FDF · 5'-D(P*TP*(MA7)P*T)-3': “Crystal structure of alkb in complex with CO(II), 2-oxoglutarate, and methylated trinucleotide T-mea-T”. X-ray diffraction, 2 ligands (AKG, CO). MolNFT v1 #36689 on GenesisL1: 3D structure, binding sites and…

PDB
2FDF
Type
protein + DNA
Length
202 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(P*TP*(MA7)P*T)-3'; Alkylated DNA repair protein alkb
UniProt
P05050
Ligands
AKG, CO

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-D(P*TP*(MA7)P*T)-3'dna3——
AAlkylated DNA repair protein alkbprotein19915% helix, 34% strandP05050

Ligands and binding sites

  • AKG · 2-oxoglutaric acid · ligand · chains B, A
  • CO · Cobalt (II) ion · metal · chains B, A

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

Interfaces

1 interface between chains.

  • B–A · 534 Ų buried · 11 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 2FDF · Crystal Structure of AlkB in complex with Co(II), 2-oxoglutarate, and methylated… · the same entry in another collection · chain A against A, TM-score 1.00
  • P05050 · AlphaFold monomer V2.0 prediction for alpha-ketoglutarate-dependent dioxygenase alkb… · a predicted model of the same protein · chain A against A, TM-score 1.00

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