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Ligand · BAP

BAP · 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene

BAP, 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene (C20 H16 O3, 304.3 g/mol), in the MolNFT structures on GenesisL1: bound in 26 records (13 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
BAP
Formula
C20 H16 O3
Class
ligand
Structures
26
PDB entries
13

Binding sites

BAP in 26 structures; the first of them:

  • 1AXL · Solution conformation of the (-)-trans-anti-[BP]DG adduct opposite a deletion site in DNA… · BAP A22 · binds DC5, DG6, DC7, DG16, DG17, DA18
  • 1AXO · Structural alignment of the (+)-trans-anti-[BP]DG adduct positioned opposite dc at a DNA… · BAP A14 · binds DA2, DC3, DG4, DC5, DT6, DG22, DC23
  • 1AXV · Solution NMR structure of the [BP]DA adduct opposite dt in a DNA duplex, 6 structures · BAP A23 · binds DC5, DA6, DC7, DG16, DT17, DG18
  • 1BPS · Minor conformer of a BENZO[A]PYRENE diol epoxide adduct of da in duplex DNA · BAP A10 · binds DC4, DA5, DC6, DC12, DG13, DG14
  • 1DXA · BENZO[A]PYRENE diol epoxide adduct of da in duplex DNA · BAP A10 · binds DC4, DA5, DC6, DG4, DG5
  • 1FYY · Hprt gene mutation hotspot with a BPDE2(10R) adduct · BAP A25 · binds DC5, DA6, DA7, DC17, DT18, DT19
  • 1S0M · Crystal structure of a Benzo[a]pyrene Diol Epoxide adduct in a ternary complex with a DNA… · BAP D1920 · binds DT1813, DT1905, DA1906
  • 1XC9 · Structure of a high-fidelity polymerase bound to a benzo[a]pyrene adduct that blocks… · BAP C444 · binds DC29, DG4, DC5, DA6, ARG615, GLU658, VAL713, TYR714 and 3 more
  • 1Y9H · Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of… · BAP A23 · binds 5CM5, DG6, DC7, DT8, DG16, DG18
  • 2IA6 · Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural… · BAP D2906 · binds DT1812, DA1813, DG1906, DA1907
  • 2IBK · Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural… · BAP E1106 · binds DG106, DA107, DA108, LYS78, GLU79, ARG247, GLU271, TYR274 and 1 more
  • 5WM1 · Structure of the 10S (+)-trans-BP-dG modified Rev1 ternary complex · BAP T101 · binds DG5, HIS555, MET669, MET685
  • 5WM8 · Structure of the 10R (+)-cis-BP-dG modified Rev1 ternary complex · BAP T101 · binds DG5, ASP399, GLY415, TRP417, HIS555, LYS681, MET685
  • 1AXL · Solution conformation of the (-)-trans-anti-[BP]DG adduct opposite a deletion site in DNA… · BAP A22 · binds DC5, DG6, DC7, DG16, DG17, DA18
  • 1AXO · Structural alignment of the (+)-trans-anti-[BP]DG adduct positioned opposite dc at a DNA… · BAP A14 · binds DA2, DC3, DG4, DC5, DT6, DG22, DC23
  • 1AXV · Solution NMR structure of the [BP]DA adduct opposite dt in a DNA duplex, 6 structures · BAP A23 · binds DC5, DA6, DC7, DG16, DT17, DG18
  • 1BPS · Minor conformer of a BENZO[A]PYRENE diol epoxide adduct of da in duplex DNA · BAP A10 · binds DC4, DA5, DC6, DC12, DG13, DG14
  • 1DXA · BENZO[A]PYRENE diol epoxide adduct of da in duplex DNA · BAP A10 · binds DC4, DA5, DC6, DG4, DG5
  • 1FYY · Hprt gene mutation hotspot with a BPDE2(10R) adduct · BAP A25 · binds DC5, DA6, DA7, DC17, DT18, DT19
  • 1S0M · Crystal structure of a BENZO[A]PYRENE diol epoxide adduct in a ternary complex with a DNA… · BAP D1920 · binds DT1813, DT1905, DA1906
  • 1XC9 · Structure of a high-fidelity polymerase bound to a BENZO[A]PYRENE adduct that blocks… · BAP C444 · binds DC29, DG4, DC5, DA6, ARG615, GLU658, VAL713, TYR714 and 3 more
  • 1Y9H · Methylation of cytosine at C5 in a cpg sequence context causes a conformational switch of… · BAP A23 · binds 5CM5, DG6, DC7, DT8, DG16, DG18
  • 2IA6 · Bypass of major benzopyrene-dg adduct by Y-family DNA polymerase with unique structural… · BAP D2906 · binds DT1812, DA1813, DG1906, DA1907
  • 2IBK · Bypass of major benzopyrene-dg adduct by Y-family DNA polymerase with unique structural… · BAP E1106 · binds LYS78, GLU79, ARG247, GLU271, TYR274, LYS275, DG106, DA107 and 1 more
  • 5WM1 · Structure of the 10S (+)-trans-bp-dg modified REV1 ternary complex · BAP T101 · binds DG5, HIS555, MET669, MET685
  • 5WM8 · Structure of the 10R (+)-cis-bp-dg modified REV1 ternary complex · BAP T101 · binds DG5, ASP399, GLY415, TRP417, HIS555, LYS681, MET685

Residues it binds most

DG 24, DC 16, DA 24, DT 14, LYS 6, GLU 6, HIS 6, MET 4, TYR 6, ARG 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • CA · Calcium ion
  • DCP · 2'-deoxycytidine-5'-triphosphate
  • PEG · Di(hydroxyethyl)ether
  • ATP · Adenosine-5'-triphosphate
  • DTP · 2'-deoxyadenosine 5'-triphosphate
  • POP · Pyrophosphate 2-
  • FRU · beta-D-fructofuranose
  • GLC · alpha-D-glucopyranose
  • PO4 · Phosphate ion

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