MolNFT v1 · #7172 · DNA

Hprt gene mutation hotspot with a BPDE2(10R) adduct

1FYY · Hprt DNA with BENZO[A]PYRENE-adducted DA7: “Hprt gene mutation hotspot with a BPDE2(10R) adduct”. Solution nmr, 1 ligand (BAP). MolNFT v1 #7172 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1FYY
Type: DNA
Length: 24 nucleotides
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hprt DNA with BENZO[A]PYRENE-adducted DA7; 5'-D(*TP*GP*CP*CP*CP*TP*TP*GP*AP*CP*TP*A)-3'
Ligands: BAP

Structure

solution nmr · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hprt DNA with BENZO[A]PYRENE-adducted DA7	dna	12	—	—
B	5'-D(TPGPCPCPCPTPTPGPAPCPTPA)-3'	dna	12	—	—

Ligands and binding sites

BAP · 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene · 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 · 548 Å² buried · 57 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

1FYY · Hprt gene mutation hotspot with a BPDE2(10R) adduct · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1FYY · PDBe 1FYY

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