SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1vlj'

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.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.27A 1d4fB-1vljA:
2.6		 1d4fB-1vljA:
22.94
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.
1HWI_D_115D3_1
(HMG-COA REDUCTASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 8 CYH A 267
LEU A 390
ALA A 393
LEU A 343
 None
 1.04A 1hwiC-1vljA:
undetectable		 1hwiC-1vljA:
24.34
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.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 GLY A 144
HIS A 199
SER A 275
GLY A  99
ASP A 103
 None
FE  A 400 ( 3.3A)
None
NAP  A 800 (-3.4A)
NAP  A 800 (-2.9A)
 1.17A 1qu2A-1vljA:
undetectable		 1qu2A-1vljA:
18.13
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.
1RX3_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 LYS A 226
ILE A 197
THR A 189
 None
 0.74A 1rx3A-1vljA:
undetectable		 1rx3A-1vljA:
15.84
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.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 GLY A  41
ILE A 140
GLY A  98
GLY A  97
VAL A  96
 NAP  A 800 (-4.1A)
NAP  A 800 (-3.8A)
NAP  A 800 (-3.2A)
None
None
 0.87A 2avsA-1vljA:
undetectable		 2avsA-1vljA:
13.27
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.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 ASP A 354
ILE A 389
VAL A 364
 None
 0.60A 2avvD-1vljA:
undetectable		 2avvD-1vljA:
12.78
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.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 7 ARG A 377
GLY A 263
SER A 208
GLU A   2
 None
 0.98A 2c8aB-1vljA:
undetectable		 2c8aB-1vljA:
19.86
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.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 7 ARG A 377
GLY A 263
SER A 208
GLU A   2
 None
 1.01A 2c8aD-1vljA:
undetectable		 2c8aD-1vljA:
19.86
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.
2CIZ_A_ACTA1320_0
(CHLOROPEROXIDASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 6 ALA A 107
ILE A 128
VAL A 164
PHE A 122
 None
 0.93A 2cizA-1vljA:
0.1		 2cizA-1vljA:
19.38
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.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 GLY A  68
GLY A  98
GLY A  40
THR A 139
VAL A 102
 None
NAP  A 800 (-3.2A)
NAP  A 800 (-3.4A)
NAP  A 800 (-3.8A)
None
 0.75A 2oxtA-1vljA:
undetectable		 2oxtA-1vljA:
22.14
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 8 ASP A 195
GLU A 202
HIS A 199
LEU A 286
 FE  A 400 (-2.2A)
None
FE  A 400 ( 3.3A)
None
 1.06A 2q0iA-1vljA:
undetectable		 2q0iA-1vljA:
21.09
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.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 268
HIS A 282
HIS A 272
 FE  A 400 (-3.4A)
FE  A 400 ( 3.3A)
None
 0.75A 2y69A-1vljA:
undetectable		 2y69A-1vljA:
21.48
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.
2Y6R_C_CTCC1385_0
(TETX2 PROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 ASN A 150
HIS A 272
GLY A 163
SER A 165
GLY A 263
 NAP  A 800 (-4.4A)
None
None
None
None
 0.77A 2y6rC-1vljA:
1.5		 2y6rC-1vljA:
21.03
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.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.32A 2zj0D-1vljA:
2.3		 2zj0D-1vljA:
21.19
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.
2ZXW_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 268
HIS A 282
HIS A 272
 FE  A 400 (-3.4A)
FE  A 400 ( 3.3A)
None
 0.72A 2zxwA-1vljA:
undetectable		 2zxwA-1vljA:
21.48
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 8 VAL A 152
ASP A 195
LEU A 286
HIS A 199
 NAP  A 800 (-4.4A)
FE  A 400 (-2.2A)
None
FE  A 400 ( 3.3A)
 0.93A 3af0A-1vljA:
1.9		 3af0A-1vljA:
21.41
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.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 GLY A  40
ILE A 140
GLY A  98
GLY A  97
VAL A  96
 NAP  A 800 (-3.4A)
NAP  A 800 (-3.8A)
NAP  A 800 (-3.2A)
None
None
 0.96A 3cyxB-1vljA:
undetectable		 3cyxB-1vljA:
13.27
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.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 GLY A  41
ILE A 140
GLY A  98
GLY A  97
VAL A  96
 NAP  A 800 (-4.1A)
NAP  A 800 (-3.8A)
NAP  A 800 (-3.2A)
None
None
 0.91A 3cyxB-1vljA:
undetectable		 3cyxB-1vljA:
13.27
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.
3KP6_B_SALB3008_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 7 GLU A 271
HIS A 268
VAL A 194
ALA A 287
 None
FE  A 400 (-3.4A)
None
None
 1.02A 3kp6B-1vljA:
0.9		 3kp6B-1vljA:
17.20
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.
3LTW_A_HLZA302_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 6 LEU A 368
PRO A 370
ARG A 269
HIS A 272
 None
 1.36A 3ltwA-1vljA:
undetectable		 3ltwA-1vljA:
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.
3R2J_B_NIOB311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 11 ASP A 120
ASP A 117
HIS A  79
ALA A 121
PHE A 122
 None
 1.34A 3r2jB-1vljA:
4.3		 3r2jB-1vljA:
20.43
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.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 11 TYR A 162
GLY A 163
GLY A 149
ALA A 107
ALA A 109
 None
 1.16A 3sufC-1vljA:
undetectable		 3sufC-1vljA:
19.90
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.
3V3O_C_T1CC401_1
(TETX2 PROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 11 ASN A 150
HIS A 272
GLY A 163
SER A 165
GLY A 263
 NAP  A 800 (-4.4A)
None
None
None
None
 0.62A 3v3oC-1vljA:
0.0		 3v3oC-1vljA:
20.92
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.
3V3O_C_T1CC401_1
(TETX2 PROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 11 ASP A 206
ASN A 150
HIS A 268
SER A 165
GLY A 262
 None
NAP  A 800 (-4.4A)
FE  A 400 (-3.4A)
None
None
 1.41A 3v3oC-1vljA:
0.0		 3v3oC-1vljA:
20.92
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.
3V4T_H_ACTH504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 LYS A  33
GLU A  62
TRP A  63
 None
 1.36A 3v4tH-1vljA:
0.0		 3v4tH-1vljA:
25.73
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.
3W9T_A_W9TA1001_1
(HEMOLYTIC LECTIN
CEL-III)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 VAL A 258
GLY A 259
TYR A 203
ASP A 206
 None
 0.88A 3w9tA-1vljA:
undetectable		 3w9tA-1vljA:
21.08
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.
3W9T_B_W9TB503_1
(HEMOLYTIC LECTIN
CEL-III)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 VAL A 258
GLY A 259
TYR A 203
ASP A 206
 None
 0.89A 3w9tB-1vljA:
undetectable		 3w9tB-1vljA:
21.08
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.
3W9T_C_W9TC1001_1
(HEMOLYTIC LECTIN
CEL-III)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 VAL A 258
GLY A 259
TYR A 203
ASP A 206
 None
 0.88A 3w9tC-1vljA:
undetectable		 3w9tC-1vljA:
21.08
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.
3W9T_D_W9TD502_1
(HEMOLYTIC LECTIN
CEL-III)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 VAL A 258
GLY A 259
TYR A 203
ASP A 206
 None
 0.89A 3w9tD-1vljA:
undetectable		 3w9tD-1vljA:
21.08
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.
3W9T_E_W9TE504_1
(HEMOLYTIC LECTIN
CEL-III)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 VAL A 258
GLY A 259
TYR A 203
ASP A 206
 None
 0.88A 3w9tE-1vljA:
undetectable		 3w9tE-1vljA:
21.08
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.
3W9T_F_W9TF504_1
(HEMOLYTIC LECTIN
CEL-III)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 VAL A 258
GLY A 259
TYR A 203
ASP A 206
 None
 0.89A 3w9tF-1vljA:
undetectable		 3w9tF-1vljA:
21.08
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.
3W9T_G_W9TG504_1
(HEMOLYTIC LECTIN
CEL-III)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 VAL A 258
GLY A 259
TYR A 203
ASP A 206
 None
 0.89A 3w9tG-1vljA:
undetectable		 3w9tG-1vljA:
21.08
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.
4A99_C_MIYC391_1
(TETX2 PROTEIN)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 11 ASN A 150
HIS A 272
GLY A 163
SER A 165
GLY A 263
 NAP  A 800 (-4.4A)
None
None
None
None
 0.74A 4a99C-1vljA:
undetectable		 4a99C-1vljA:
21.90
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 7 ILE A 134
PRO A 171
GLY A 144
GLN A 181
 None
 0.75A 4g0uB-1vljA:
2.6		 4g0uB-1vljA:
20.20
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.
4GH8_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 LYS A 226
ILE A 197
THR A 189
 None
 0.80A 4gh8A-1vljA:
undetectable		 4gh8A-1vljA:
16.09
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 7 HIS A 199
ASP A 195
HIS A 268
VAL A 152
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.4A)
 1.09A 4hvrA-1vljA:
undetectable		 4hvrA-1vljA:
17.73
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.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 LEU A 334
ASP A 345
ILE A 327
 None
 0.65A 4xi3D-1vljA:
undetectable		 4xi3D-1vljA:
19.04
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 GLY A 219
THR A 220
GLU A 215
ILE A 216
GLN A 304
 None
 1.26A 4zvmA-1vljA:
4.2
4zvmB-1vljA:
4.8		 4zvmA-1vljA:
19.28
4zvmB-1vljA:
19.28
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		6 / 12 ALA A 193
THR A 143
GLY A 283
GLY A 192
ALA A 339
LEU A 286
 None
NAP  A 800 (-3.9A)
None
None
None
None
 1.47A 5c0oG-1vljA:
3.8		 5c0oG-1vljA:
19.57
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.
5DPD_B_SAMB601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 GLY A  47
ASP A  50
ILE A  19
VAL A  96
VAL A 137
 None
 1.13A 5dpdB-1vljA:
undetectable		 5dpdB-1vljA:
21.05
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.
5HI2_A_BAXA801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 8 VAL A  84
VAL A  52
ILE A  61
ILE A  22
ILE A  31
 None
 1.50A 5hi2A-1vljA:
undetectable		 5hi2A-1vljA:
23.39
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.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.30A 5hm8A-1vljA:
undetectable		 5hm8A-1vljA:
22.94
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.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.31A 5hm8B-1vljA:
undetectable		 5hm8B-1vljA:
22.94
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.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.31A 5hm8C-1vljA:
undetectable		 5hm8C-1vljA:
22.94
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.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.31A 5hm8D-1vljA:
undetectable		 5hm8D-1vljA:
22.94
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.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.30A 5hm8E-1vljA:
undetectable		 5hm8E-1vljA:
22.94
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.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.31A 5hm8F-1vljA:
undetectable		 5hm8F-1vljA:
22.94
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.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.30A 5hm8G-1vljA:
undetectable		 5hm8G-1vljA:
22.94
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.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.30A 5hm8H-1vljA:
2.6		 5hm8H-1vljA:
22.94
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 8 ALA A 196
SER A 198
HIS A 268
HIS A 282
 None
None
FE  A 400 (-3.4A)
FE  A 400 ( 3.3A)
 1.03A 5km8A-1vljA:
undetectable
5km8B-1vljA:
undetectable		 5km8A-1vljA:
16.26
5km8B-1vljA:
16.26
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 6 HIS A 272
ASP A 195
HIS A 199
LEU A 286
HIS A 282
 None
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
None
FE  A 400 ( 3.3A)
 1.42A 5nelB-1vljA:
undetectable
5nelC-1vljA:
undetectable		 5nelB-1vljA:
21.27
5nelC-1vljA:
21.27
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 199
ASP A 195
HIS A 282
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.69A 5oexA-1vljA:
undetectable		 5oexA-1vljA:
21.14
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 282
ASP A 195
HIS A 199
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.44A 5oexA-1vljA:
undetectable		 5oexA-1vljA:
21.14
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 199
ASP A 195
HIS A 282
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.73A 5oexB-1vljA:
undetectable		 5oexB-1vljA:
21.14
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 282
ASP A 195
HIS A 199
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.36A 5oexB-1vljA:
undetectable		 5oexB-1vljA:
21.14
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 199
ASP A 195
HIS A 282
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.70A 5oexC-1vljA:
undetectable		 5oexC-1vljA:
21.14
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 282
ASP A 195
HIS A 199
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.34A 5oexC-1vljA:
undetectable		 5oexC-1vljA:
21.14
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 199
ASP A 195
HIS A 282
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.70A 5oexD-1vljA:
undetectable		 5oexD-1vljA:
21.14
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 282
ASP A 195
HIS A 199
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.37A 5oexD-1vljA:
undetectable		 5oexD-1vljA:
21.14
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.
5TZO_A_7V7A202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 VAL A 190
ALA A 196
PRO A 235
ALA A 193
GLY A 192
 None
 1.27A 5tzoA-1vljA:
undetectable		 5tzoA-1vljA:
17.34
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.
5TZO_C_7V7C201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 VAL A 190
ALA A 196
PRO A 235
ALA A 193
GLY A 192
 None
 1.24A 5tzoC-1vljA:
undetectable		 5tzoC-1vljA:
17.34
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 7 ARG A 307
TYR A 204
GLU A 218
LEU A 322
 None
 1.13A 5umwB-1vljA:
0.2
5umwE-1vljA:
0.4		 5umwB-1vljA:
12.91
5umwE-1vljA:
12.91
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.
6NKN_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 HIS A 268
HIS A 282
HIS A 272
 FE  A 400 (-3.4A)
FE  A 400 ( 3.3A)
None
 0.74A 6nknA-1vljA:
undetectable		 6nknA-1vljA:
21.48