SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4gkv'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BDW_B_DVAB8_0
(GRAMICIDIN A)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		3 / 3 VAL A 284
VAL A 258
TRP A  84
 NAD  A 401 (-3.6A)
NAD  A 401 (-3.9A)
None
 0.99A 1bdwA-4gkvA:
undetectable
1bdwB-4gkvA:
undetectable		 1bdwA-4gkvA:
5.24
1bdwB-4gkvA:
5.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_I_TRPI81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 ALA A 128
GLY A  60
ALA A  80
THR A 144
ILE A  61
 None
 1.13A 1gtnH-4gkvA:
undetectable
1gtnI-4gkvA:
undetectable		 1gtnH-4gkvA:
13.15
1gtnI-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_M_TRPM81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 11 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.12A 1gtnM-4gkvA:
undetectable
1gtnN-4gkvA:
undetectable		 1gtnM-4gkvA:
13.15
1gtnN-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.14A 1gtnU-4gkvA:
undetectable
1gtnV-4gkvA:
undetectable		 1gtnU-4gkvA:
13.15
1gtnV-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 11 SER A 142
GLY A  35
VAL A  36
SER A 141
ILE A 332
 None
 0.87A 1pk9C-4gkvA:
2.3		 1pk9C-4gkvA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_T_TRPT81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.10A 1utdT-4gkvA:
undetectable
1utdU-4gkvA:
undetectable		 1utdT-4gkvA:
13.15
1utdU-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		3 / 3 GLY A 116
GLY A 110
GLY A  57
 None
 0.42A 3bogC-4gkvA:
undetectable		 3bogC-4gkvA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		4 / 8 ALA A 202
LEU A 201
MET A 205
ILE A 143
 None
 0.93A 3cldB-4gkvA:
undetectable		 3cldB-4gkvA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		4 / 8 ALA A 202
LEU A 201
MET A 205
TYR A 180
 None
 0.84A 3cldB-4gkvA:
undetectable		 3cldB-4gkvA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 9 THR A 144
SER A 112
ILE A 122
ILE A  61
GLY A  35
 None
 1.15A 3cv9A-4gkvA:
undetectable		 3cv9A-4gkvA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A  62
ALA A  80
HIS A  58
CYH A  37
CYH A 145
 None
None
ZN  A 402 (-3.3A)
ZN  A 402 ( 2.4A)
ZN  A 402 ( 2.3A)
 1.45A 3s8pB-4gkvA:
undetectable		 3s8pB-4gkvA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A  62
ALA A  80
HIS A  58
CYH A  37
CYH A 145
 None
None
ZN  A 402 (-3.3A)
ZN  A 402 ( 2.4A)
ZN  A 402 ( 2.3A)
 1.44A 4bupA-4gkvA:
undetectable		 4bupA-4gkvA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5L_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A 110
GLY A  57
VAL A  82
CYH A 121
CYH A  34
 None
 1.25A 4c5lD-4gkvA:
2.5		 4c5lD-4gkvA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 169
GLY A 174
ILE A 192
ALA A 191
ALA A 241
 NAD  A 401 (-3.4A)
None
None
None
NAD  A 401 ( 3.7A)
 1.12A 4kicA-4gkvA:
4.8		 4kicA-4gkvA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 169
GLY A 174
ILE A 192
ALA A 191
ALA A 241
 NAD  A 401 (-3.4A)
None
None
None
NAD  A 401 ( 3.7A)
 1.11A 4kicB-4gkvA:
5.7		 4kicB-4gkvA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		4 / 6 LEU A  29
GLU A  26
VAL A 113
ALA A 109
 None
 0.99A 4nkxA-4gkvA:
undetectable		 4nkxA-4gkvA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		3 / 3 GLN A 163
HIS A 230
ARG A 250
 None
 1.13A 4qyqA-4gkvA:
undetectable		 4qyqA-4gkvA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYQ_B_3CJB607_1
(LACTOPEROXIDASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		3 / 3 GLN A 163
HIS A 230
ARG A 250
 None
 1.06A 4qyqB-4gkvA:
undetectable		 4qyqB-4gkvA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		4 / 7 MET A 321
HIS A  58
CYH A 145
GLY A  35
 NAD  A 401 (-4.3A)
ZN  A 402 (-3.3A)
ZN  A 402 ( 2.3A)
None
 1.07A 5a5zC-4gkvA:
undetectable		 5a5zC-4gkvA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A  62
ALA A  80
HIS A  58
CYH A  37
CYH A 145
 None
None
ZN  A 402 (-3.3A)
ZN  A 402 ( 2.4A)
ZN  A 402 ( 2.3A)
 1.37A 5cprB-4gkvA:
undetectable		 5cprB-4gkvA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5eeuO-4gkvA:
undetectable
5eeuP-4gkvA:
undetectable		 5eeuO-4gkvA:
13.15
5eeuP-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.12A 5eeuQ-4gkvA:
undetectable
5eeuR-4gkvA:
undetectable		 5eeuQ-4gkvA:
13.15
5eeuR-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5eevO-4gkvA:
undetectable
5eevP-4gkvA:
undetectable		 5eevO-4gkvA:
13.15
5eevP-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.12A 5eevQ-4gkvA:
undetectable
5eevR-4gkvA:
undetectable		 5eevQ-4gkvA:
13.15
5eevR-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5eewO-4gkvA:
undetectable
5eewP-4gkvA:
undetectable		 5eewO-4gkvA:
13.15
5eewP-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.12A 5eewQ-4gkvA:
undetectable
5eewR-4gkvA:
undetectable		 5eewQ-4gkvA:
13.15
5eewR-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEX_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5eexO-4gkvA:
undetectable
5eexP-4gkvA:
undetectable		 5eexO-4gkvA:
13.15
5eexP-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5eeyO-4gkvA:
undetectable
5eeyP-4gkvA:
undetectable		 5eeyO-4gkvA:
13.15
5eeyP-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5eezO-4gkvA:
undetectable
5eezP-4gkvA:
undetectable		 5eezO-4gkvA:
13.15
5eezP-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF0_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5ef0O-4gkvA:
undetectable
5ef0P-4gkvA:
undetectable		 5ef0O-4gkvA:
13.15
5ef0P-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5ef1O-4gkvA:
undetectable
5ef1P-4gkvA:
undetectable		 5ef1O-4gkvA:
13.15
5ef1P-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.11A 5ef2O-4gkvA:
undetectable
5ef2P-4gkvA:
undetectable		 5ef2O-4gkvA:
13.15
5ef2P-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 10 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.12A 5ef3O-4gkvA:
undetectable
5ef3P-4gkvA:
undetectable		 5ef3O-4gkvA:
13.15
5ef3P-4gkvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 11 ASP A 217
VAL A 246
TYR A 168
ILE A 192
ILE A 211
 None
 1.27A 5hw8B-4gkvA:
undetectable		 5hw8B-4gkvA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		4 / 8 LEU A 311
LEU A  56
ILE A 122
MET A   1
 None
 1.07A 5ljbA-4gkvA:
undetectable		 5ljbA-4gkvA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NKN_A_LOCA201_2
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		3 / 3 VAL A  12
LYS A   2
MET A   1
 None
 0.98A 5nknA-4gkvA:
undetectable		 5nknA-4gkvA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A  62
ALA A  80
HIS A  58
CYH A  37
CYH A 145
 None
None
ZN  A 402 (-3.3A)
ZN  A 402 ( 2.4A)
ZN  A 402 ( 2.3A)
 1.45A 5wbvA-4gkvA:
undetectable		 5wbvA-4gkvA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A  62
ALA A  80
HIS A  58
CYH A  37
CYH A 145
 None
None
ZN  A 402 (-3.3A)
ZN  A 402 ( 2.4A)
ZN  A 402 ( 2.3A)
 1.43A 5wbvB-4gkvA:
undetectable		 5wbvB-4gkvA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_A_SAMA601_0
(NS5
METHYLTRANSFERASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.96A 5wz1A-4gkvA:
3.6		 5wz1A-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_C_SAMC601_0
(NS5
METHYLTRANSFERASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.98A 5wz1C-4gkvA:
3.6		 5wz1C-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_D_SAMD601_0
(NS5
METHYLTRANSFERASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.96A 5wz1D-4gkvA:
3.7		 5wz1D-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_E_SAME601_0
(NS5
METHYLTRANSFERASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.97A 5wz1E-4gkvA:
3.6		 5wz1E-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_F_SAMF601_0
(NS5
METHYLTRANSFERASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.97A 5wz1F-4gkvA:
3.7		 5wz1F-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_G_SAMG601_0
(NS5
METHYLTRANSFERASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.97A 5wz1G-4gkvA:
3.6		 5wz1G-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_H_SAMH601_0
(NS5
METHYLTRANSFERASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.99A 5wz1H-4gkvA:
3.5		 5wz1H-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ2_C_SAMC601_0
(NS5 MTASE)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.93A 5wz2C-4gkvA:
3.3		 5wz2C-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X24_A_LSNA502_1
(CYTOCHROME P450 2C9)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		6 / 12 PHE A 334
LEU A  28
VAL A 123
VAL A  82
GLY A 115
LEU A 311
 None
 1.38A 5x24A-4gkvA:
undetectable		 5x24A-4gkvA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7L_A_Y00A406_0
(BETA-1 ADRENERGIC
RECEPTOR)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 THR A 101
VAL A 106
SER A 112
VAL A 129
TYR A 127
 None
 1.35A 6h7lA-4gkvA:
undetectable		 6h7lA-4gkvA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7L_B_Y00B405_0
(BETA-1 ADRENERGIC
RECEPTOR)		 4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING
(Escherichia
coli) 		5 / 12 THR A 101
VAL A 106
SER A 112
VAL A 129
TYR A 127
 None
 1.36A 6h7lB-4gkvA:
undetectable		 6h7lB-4gkvA:
15.51