Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T75498 Target Info
Target Name Quinone reductase 2 (NQO2)
Synonyms Quinone oxidoreductase 2; Qui reductase 2; QR2; NRH:quinone oxidoreductase 2; NRH:qui oxidoreductase 2; NQO2; NAD(P)H qui oxidoreductase 2
Target Type Successful Target
Gene Name NQO2
Biochemical Class Diphenol donor oxidoreductase
UniProt ID
NQO2_HUMAN
Ligand General Information  Top
Ligand Name Acridine orange Ligand Info
Canonical SMILES CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C
InChI 1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
InChIKey DPKHZNPWBDQZCN-UHFFFAOYSA-N
PubChem Compound ID 62344
Drug Binding Sites of Target  Top
PDB ID: 4ZVN      Reduced quinone reductase 2 in complex with acridine orange
Method X-ray diffraction Resolution 1.87 Å Mutation No [1]
PDB Sequence
AGKKVLIVYA
10
HQEPKSFNGS
20
LKNVAVDELS
30
RQGCTVTVSD
40
LYAMNFEPRA
50

TDKDITGTLS
60
NPEVFNYGVE
70
THEAYKQRSL
80
ASDITDEQKK
90
VREADLVIFQ
100

FPLYWFSVPA
110
ILKGWMDRVL
120
CQGFAFDIPG
130
FYDSGLLQGK
140
LALLSVTTGG
150

TAEMYTKTGV
160
NGDSRYFLWP
170
LQHGTLHFCG
180
FKVLAPQISF
190
APEIASEEER
200

KGMVAAWSQR
210
LQTIWKEEPI
220
PCTAHWHFGQ
230
Residue
Distance (Å)
TRP105
2.891
GLY149
2.730
GLY150
3.048
THR151
3.073
MET154
3.196
Residue
Distance (Å)
TYR155
4.965
ASN161
3.465
ALA191
4.529
GLU193
2.722
ILE194
3.071
PDB ID: 4ZVL      Oxidized quinone reductase 2 in complex with acridine orange
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
AGKKVLIVYA
10
HQEPKSFNGS
20
LKNVAVDELS
30
RQGCTVTVSD
40
LYAMNFEPRA
50

TDKDITGTLS
60
NPEVFNYGVE
70
THEAYKQRSL
80
ASDITDEQKK
90
VREADLVIFQ
100

FPLYWFSVPA
110
ILKGWMDRVL
120
CQGFAFDIPG
130
FYDSGLLQGK
140
LALLSVTTGG
150

TAEMYTKTGV
160
NGDSRYFLWP
170
LQHGTLHFCG
180
FKVLAPQISF
190
APEIASEEER
200

KGMVAAWSQR
210
LQTIWKEEPI
220
PCTAHWHFGQ
230
Residue
Distance (Å)
ASN66
4.760
GLY68
3.795
VAL69
4.725
GLN122
3.424
PHE126
2.599
ILE128
2.599
Residue
Distance (Å)
TYR132
3.334
HIS173
4.928
GLY174
2.666
THR175
4.247
PHE178
2.583
References  Top
REF 1 Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry. 2015 Dec 29;54(51):7438-48.

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