SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1upx'

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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 ASP A 244
ASP A 241
HIS A 159
ILE A 325
 None
 0.99A 1ei6C-1upxA:
undetectable		 1ei6C-1upxA:
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 ASP A 244
THR A 323
HIS A 159
ILE A 325
 None
 0.97A 1ei6C-1upxA:
undetectable		 1ei6C-1upxA:
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.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 390
LEU A 477
PHE A 393
ILE A 461
LEU A 423
 None
 1.14A 1jolA-1upxA:
undetectable		 1jolA-1upxA:
15.03
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.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 390
LEU A 477
PHE A 393
ILE A 461
LEU A 423
 None
 1.15A 1jolB-1upxA:
undetectable		 1jolB-1upxA:
15.03
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.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 PHE A 527
GLN A 526
LYS A 521
VAL A 519
 None
 1.47A 1l2iB-1upxA:
undetectable		 1l2iB-1upxA:
18.77
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.
1MT1_C_AG2C7004_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 ALA A 100
LEU A 108
LEU A  51
LEU A  44
 None
 1.00A 1mt1D-1upxA:
0.0
1mt1E-1upxA:
undetectable		 1mt1D-1upxA:
13.09
1mt1E-1upxA:
7.01
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.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 GLY A 199
GLU A 197
SER A 499
ILE A 492
 None
 0.70A 1pk7B-1upxA:
undetectable		 1pk7B-1upxA:
19.03
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.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 VAL A 493
VAL A 395
LEU A 423
ALA A 459
 None
 0.85A 1pthA-1upxA:
0.0		 1pthA-1upxA:
22.24
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.
1PTH_B_SALB711_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 VAL A 493
VAL A 395
LEU A 423
ALA A 459
 None
 0.85A 1pthB-1upxA:
0.0		 1pthB-1upxA:
22.24
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.
1XZX_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 440
ILE A 443
ALA A 384
LEU A 423
ILE A 479
 None
 0.91A 1xzxX-1upxA:
undetectable		 1xzxX-1upxA:
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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 GLY A 300
PRO A 233
ASP A 258
TYR A 260
 None
 1.13A 2aouB-1upxA:
3.3		 2aouB-1upxA:
20.11
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ASP A  35
ILE A  74
VAL A  66
 None
 0.66A 2avvD-1upxA:
undetectable		 2avvD-1upxA:
12.52
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.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 102
GLY A  45
SER A 109
ASP A  63
ALA A 172
 None
 1.01A 2bm9A-1upxA:
2.7		 2bm9A-1upxA:
17.80
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.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 102
LEU A 108
GLY A  45
ASP A  63
ALA A 172
 None
 1.13A 2bm9A-1upxA:
2.7		 2bm9A-1upxA:
17.80
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.
2BM9_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 102
GLY A  45
SER A 109
ASP A  63
ALA A 172
 None
 1.19A 2bm9B-1upxA:
2.5		 2bm9B-1upxA:
17.80
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.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 102
LEU A 108
GLY A  45
ASP A  63
ALA A 172
 None
 1.17A 2br4E-1upxA:
undetectable		 2br4E-1upxA:
17.84
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.
2H79_A_T3A1_1
(THRA PROTEIN)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 440
ILE A 443
ALA A 384
LEU A 423
ILE A 479
 None
 0.93A 2h79A-1upxA:
undetectable		 2h79A-1upxA:
17.65
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.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 TYR A 321
THR A 353
VAL A 257
ILE A 235
 None
 0.93A 2qbmA-1upxA:
undetectable		 2qbmA-1upxA:
22.06
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.
2XRZ_B_ACTB1463_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 ILE A 348
ALA A 351
GLY A 256
THR A 255
 None
 0.76A 2xrzB-1upxA:
undetectable		 2xrzB-1upxA:
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.
2ZUJ_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 LEU A 495
VAL A 519
LEU A 515
VAL A 522
 None
 0.74A 2zujA-1upxA:
undetectable		 2zujA-1upxA:
22.32
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.
3A2Q_A_ACAA602_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 ASN A 453
ALA A 370
ALA A 449
GLN A 451
 None
 0.86A 3a2qA-1upxA:
undetectable		 3a2qA-1upxA:
22.48
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.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 LEU A 178
ASP A  35
VAL A  40
THR A  91
 None
 1.16A 3cyxB-1upxA:
undetectable		 3cyxB-1upxA:
11.57
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.
3EEY_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A  68
ASN A  69
ILE A 338
GLY A 339
LEU A  65
 None
 1.12A 3eeyH-1upxA:
2.6		 3eeyH-1upxA:
18.15
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.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A  68
ASN A  69
ILE A 338
GLY A 339
LEU A  65
 None
 1.09A 3eeyI-1upxA:
2.5		 3eeyI-1upxA:
18.15
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.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A  68
ASN A  69
ILE A 338
GLY A 339
LEU A  65
 None
 1.18A 3eeyJ-1upxA:
2.6		 3eeyJ-1upxA:
18.15
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.
3EKX_B_1UNB201_1
(PROTEASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 152
ALA A 154
VAL A  66
ILE A 146
THR A  41
 None
 0.87A 3ekxA-1upxA:
undetectable		 3ekxA-1upxA:
11.01
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.
3FRQ_B_ERYB195_0
(REPRESSOR PROTEIN
MPHR(A))		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A  41
LEU A  44
GLY A  68
LEU A 208
ILE A  62
 None
 0.99A 3frqB-1upxA:
undetectable		 3frqB-1upxA:
15.98
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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 SER A 345
GLN A 251
PHE A 344
 None
 0.68A 3g4lC-1upxA:
0.0		 3g4lC-1upxA:
21.23
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 440
ILE A 443
ALA A 384
LEU A 423
ILE A 479
 None
 0.94A 3gwsX-1upxA:
undetectable		 3gwsX-1upxA:
16.73
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ASN A  78
ALA A  72
ALA A  77
LYS A 489
 None
None
None
FSO  A1546 (-2.9A)
 1.18A 3kp2B-1upxA:
0.0		 3kp2B-1upxA:
14.90
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.
3MSS_D_STID1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 VAL A 129
VAL A  66
VAL A  88
ILE A  38
 None
 0.77A 3mssD-1upxA:
undetectable		 3mssD-1upxA:
18.91
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 VAL A 493
VAL A 395
LEU A 423
ALA A 459
LEU A 497
 None
 0.85A 3n8wA-1upxA:
undetectable		 3n8wA-1upxA:
22.33
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.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 TYR A 430
GLY A 398
ALA A 484
ASP A 448
ALA A 425
 None
 1.13A 3nmuA-1upxA:
2.8
3nmuF-1upxA:
2.6		 3nmuA-1upxA:
22.00
3nmuF-1upxA:
19.44
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.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 VAL A 493
VAL A 395
LEU A 423
ALA A 459
LEU A 497
 None
 0.85A 3pghC-1upxA:
undetectable		 3pghC-1upxA:
22.24
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.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 390
LEU A 477
PHE A 393
ILE A 461
LEU A 423
 None
 1.18A 3ql0A-1upxA:
undetectable		 3ql0A-1upxA:
15.03
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.
3VYW_D_SAMD401_0
(MNMC2)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 202
GLY A 199
ALA A 157
PHE A 173
LEU A 170
 None
 1.16A 3vywD-1upxA:
undetectable		 3vywD-1upxA:
18.01
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.
4A84_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 VAL A 502
ILE A 479
ILE A 422
TYR A 432
LEU A 497
 None
 1.31A 4a84A-1upxA:
undetectable		 4a84A-1upxA:
14.86
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.
4AC9_C_DXCC1477_0
(MJ0495-LIKE PROTEIN)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 THR A 195
GLY A 199
ILE A 492
LEU A 498
 None
 1.23A 4ac9C-1upxA:
4.2		 4ac9C-1upxA:
22.72
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 GLU A 264
ASN A 307
GLU A 337
VAL A 162
 FSO  A1546 ( 3.1A)
FSO  A1546 (-3.0A)
None
None
 1.01A 4ejwB-1upxA:
undetectable		 4ejwB-1upxA:
14.90
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.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 10 ALA A 112
VAL A  66
ILE A  38
ALA A 177
THR A 181
 None
 1.10A 4j14A-1upxA:
2.4		 4j14A-1upxA:
21.49
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.
4L1X_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 LEU A 142
VAL A 188
LEU A 498
LEU A 196
 None
 1.03A 4l1xA-1upxA:
undetectable		 4l1xA-1upxA:
23.89
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.
4MGH_A_ACTA1320_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 VAL A 259
LEU A 248
ILE A 237
LEU A 236
 None
 0.82A 4mghA-1upxA:
undetectable		 4mghA-1upxA:
18.39
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.
4P6X_G_HCYG900_2
(GLUCOCORTICOID
RECEPTOR)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 LEU A  33
MET A   4
TYR A  39
 None
 0.76A 4p6xG-1upxA:
undetectable		 4p6xG-1upxA:
17.90
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.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ILE A 390
LEU A 477
PHE A 393
ILE A 461
LEU A 423
 None
 1.17A 4qlfA-1upxA:
undetectable		 4qlfA-1upxA:
14.84
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.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 LEU A 435
ALA A 413
VAL A 446
THR A 424
ASP A 448
 None
 1.26A 4uuuA-1upxA:
undetectable
4uuuB-1upxA:
undetectable		 4uuuA-1upxA:
13.86
4uuuB-1upxA:
13.86
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.
4W5T_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 LYS A 313
PRO A 312
GLU A 296
TYR A 316
 None
 1.13A 4w5tA-1upxA:
3.9		 4w5tA-1upxA:
20.32
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.
4Z4C_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 LYS A 313
PRO A 312
GLU A 296
TYR A 316
 None
 1.16A 4z4cA-1upxA:
3.8		 4z4cA-1upxA:
20.32
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.
4Z4G_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 LYS A 313
PRO A 312
GLU A 296
TYR A 316
 None
 1.16A 4z4gA-1upxA:
4.1		 4z4gA-1upxA:
20.32
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 ARG A  52
ASP A  63
ARG A  61
ILE A  62
 None
 1.42A 5a06A-1upxA:
undetectable		 5a06A-1upxA:
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.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 390
LEU A 477
PHE A 393
ILE A 461
LEU A 423
 None
 1.12A 5e8qB-1upxA:
undetectable		 5e8qB-1upxA:
15.03
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A  52
ASN A 168
ASP A 161
 None
 0.86A 5gwxA-1upxA:
undetectable		 5gwxA-1upxA:
18.59
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.49A 5hm8A-1upxA:
3.4		 5hm8A-1upxA:
24.83
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.49A 5hm8B-1upxA:
3.4		 5hm8B-1upxA:
24.83
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.49A 5hm8C-1upxA:
3.6		 5hm8C-1upxA:
24.83
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.49A 5hm8D-1upxA:
3.4		 5hm8D-1upxA:
24.83
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.49A 5hm8E-1upxA:
2.3		 5hm8E-1upxA:
24.83
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.49A 5hm8F-1upxA:
2.8		 5hm8F-1upxA:
24.83
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.49A 5hm8G-1upxA:
2.3		 5hm8G-1upxA:
24.83
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)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.49A 5hm8H-1upxA:
undetectable		 5hm8H-1upxA:
24.83
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.
5JSD_A_1GNA607_1
(PHIAB6 TAILSPIKE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 THR A 533
SER A 534
TYR A 408
 None
 0.84A 5jsdA-1upxA:
undetectable		 5jsdA-1upxA:
22.07
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.
5JSD_B_1GNB618_1
(PHIAB6 TAILSPIKE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 THR A 533
SER A 534
TYR A 408
 None
 0.84A 5jsdB-1upxA:
undetectable		 5jsdB-1upxA:
22.07
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.
5JSD_C_1GNC608_1
(PHIAB6 TAILSPIKE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 THR A 533
SER A 534
TYR A 408
 None
 0.83A 5jsdC-1upxA:
undetectable		 5jsdC-1upxA:
22.07
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.
5JSE_A_1GNA608_1
(PHIAB6 TAILSPIKE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 THR A 533
SER A 534
TYR A 408
 None
 0.85A 5jseA-1upxA:
undetectable		 5jseA-1upxA:
22.07
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.
5JSE_B_1GNB611_1
(PHIAB6 TAILSPIKE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 THR A 533
SER A 534
TYR A 408
 None
 0.86A 5jseB-1upxA:
undetectable		 5jseB-1upxA:
22.07
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.
5JSE_C_1GNC611_1
(PHIAB6 TAILSPIKE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 THR A 533
SER A 534
TYR A 408
 None
 0.86A 5jseC-1upxA:
undetectable		 5jseC-1upxA:
22.07
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ALA A 513
GLN A   8
THR A  12
 None
SF4  A1544 (-4.6A)
SF4  A1544 (-3.9A)
 0.70A 5n0oA-1upxA:
undetectable		 5n0oA-1upxA:
21.43
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.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 390
LEU A 477
PHE A 393
ILE A 461
LEU A 423
 None
 1.13A 5ujxB-1upxA:
undetectable		 5ujxB-1upxA:
15.03
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.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 VAL A 493
LEU A 500
ASN A 453
ASP A 454
 None
 1.39A 5vcyA-1upxA:
undetectable		 5vcyA-1upxA:
19.82
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.
6A7J_A_TESA502_0
(CYTOCHROME P450)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 LEU A 208
ALA A 211
ALA A 212
THR A 216
 None
 0.72A 6a7jA-1upxA:
undetectable		 6a7jA-1upxA:
11.23
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 GLY A 339
GLY A 336
PRO A 335
GLY A 324
 None
 0.66A 6ag0C-1upxA:
undetectable		 6ag0C-1upxA:
9.16
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.
6F3M_A_ADNA502_1
(-)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.46A 6f3mA-1upxA:
undetectable		 6f3mA-1upxA:
24.78
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.
6F3M_C_ADNC502_1
(-)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 216
ASP A 241
LYS A 342
HIS A 159
GLY A 164
 None
 1.47A 6f3mC-1upxA:
undetectable		 6f3mC-1upxA:
24.78