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 Ethidium Ligand Info
Canonical SMILES CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
InChI 1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
InChIKey QTANTQQOYSUMLC-UHFFFAOYSA-O
PubChem Compound ID 3624
Drug Binding Sites of Target  Top
PDB ID: 4ZVK      Reduced quinone reductase 2 in complex with ethidium
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)
ASN66
3.583
TYR67
3.756
GLY68
2.053
VAL69
2.877
THR71
2.134
HIS72
3.313
ASP117
4.358
Residue
Distance (Å)
LEU120
3.107
CYS121
2.451
GLN122
2.327
PHE126
2.532
ILE128
3.000
GLY174
4.834
PHE178
3.395
PDB ID: 5BUC      Oxidized quinone reductase 2 in complex with ethidium
Method X-ray diffraction Resolution 1.87 Å Mutation No [2]
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
3.587
TYR67
4.167
GLY68
2.700
VAL69
3.081
THR71
2.472
HIS72
3.753
TRP105
2.532
PHE106
2.747
ASP117
4.329
LEU120
3.298
CYS121
3.647
GLN122
2.391
Residue
Distance (Å)
PHE126
3.196
ILE128
3.918
THR148
4.799
GLY149
2.152
GLY150
2.939
THR151
4.378
MET154
3.292
TYR155
3.691
ASN161
2.379
PHE178
3.365
ILE194
3.935
References  Top
REF 1 Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry. 2015 Dec 29;54(51):7438-48.
REF 2 Structure of quinone reductase 2 in complex with DNA intercalating agents

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