SIMILAR PATTERNS OF AMINO ACIDS FOR 3MDV_B_CL6B506

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE


(Homo sapiens)
PF00106
(adh_short)
6 LEU A  22
PHE A  30
VAL A  86
THR A   3
ALA A 243
THR A 242
None
1.48A 3mdvB-1a27A:
0.0
3mdvB-1a27A:
22.44
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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE


(Rattus
norvegicus)
PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1)
5 LEU A 292
LEU A 579
THR A 535
ILE A 537
ALA A 538
None
None
NAP  A 752 (-3.5A)
None
FAD  A 750 (-3.7A)
0.76A 3mdvB-1amoA:
0.0
3mdvB-1amoA:
22.62
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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN


(Escherichia
coli)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
6 LEU A  48
THR A  32
ILE A  28
ALA A  27
GLU A  25
THR A  21
None
1.41A 3mdvB-1cqjA:
0.0
3mdvB-1cqjA:
19.13
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE


(Pseudomonas
aeruginosa)
PF00753
(Lactamase_B)
5 LEU A 168
THR A 209
ALA A 213
ALA A 175
ALA A 171
None
0.99A 3mdvB-1ddkA:
0.0
3mdvB-1ddkA:
19.30
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.
1dkd GROEL

(Escherichia
coli)
PF00118
(Cpn60_TCP1)
5 LEU A 309
LEU A 237
ILE A 230
ALA A 258
ALA A 275
None
0.90A 3mdvB-1dkdA:
undetectable
3mdvB-1dkdA:
20.00
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.
1e2z CYTOCHROME F

(Chlamydomonas
reinhardtii)
PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N)
6 LEU A 214
LEU A 185
GLU A 193
ALA A 181
ALA A 184
THR A 183
None
1.40A 3mdvB-1e2zA:
undetectable
3mdvB-1e2zA:
20.65
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.
1iwl OUTER-MEMBRANE
LIPOPROTEINS CARRIER
PROTEIN


(Escherichia
coli)
PF03548
(LolA)
5 PHE A 127
LEU A  10
THR A 128
ILE A 129
ALA A   2
None
0.96A 3mdvB-1iwlA:
undetectable
3mdvB-1iwlA:
19.54
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa)
PF00282
(Pyridoxal_deC)
5 LEU A 180
VAL A 204
LEU A 167
ILE A 235
ALA A 159
None
0.92A 3mdvB-1js6A:
0.0
3mdvB-1js6A:
21.86
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.
1kc8 RIBOSOMAL PROTEIN
L18


(Haloarcula
marismortui)
PF17144
(Ribosomal_L5e)
6 LEU O 102
LEU O 136
ILE O 123
ALA O 122
GLU O 120
ALA O  81
A  A2413 ( 4.6A)
None
None
None
None
None
1.36A 3mdvB-1kc8O:
undetectable
3mdvB-1kc8O:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n97 CYP175A1

(Thermus
thermophilus)
PF00067
(p450)
5 THR A 217
ALA A 221
THR A 225
ALA A 268
THR A 372
None
HEM  A 602 (-3.3A)
HEM  A 602 (-3.8A)
HEM  A 602 ( 4.0A)
None
0.72A 3mdvB-1n97A:
40.3
3mdvB-1n97A:
31.17
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT


(Klebsiella
pneumoniae)
PF08841
(DDR)
5 LEU A 213
LEU A 249
ILE A  98
ALA A 162
ALA A 199
None
0.95A 3mdvB-1nbwA:
undetectable
3mdvB-1nbwA:
23.62
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.
1o5h FORMIMINOTETRAHYDROF
OLATE CYCLODEAMINASE


(Thermotoga
maritima)
PF04961
(FTCD_C)
5 LEU A 119
ALA A  65
GLU A  67
ALA A  43
ALA A  37
None
1.00A 3mdvB-1o5hA:
undetectable
3mdvB-1o5hA:
17.26
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.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)


(Nostoc sp. PCC
7119)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
5 LEU A  31
LEU A 205
THR A 157
ILE A 159
ALA A 160
None
None
FAD  A 304 (-3.6A)
None
FAD  A 304 ( 4.0A)
0.65A 3mdvB-1qgzA:
undetectable
3mdvB-1qgzA:
18.83
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.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)


(Nostoc sp. PCC
7119)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
5 LEU A  31
THR A 157
ILE A 159
ALA A 160
THR A 164
None
FAD  A 304 (-3.6A)
None
FAD  A 304 ( 4.0A)
None
0.89A 3mdvB-1qgzA:
undetectable
3mdvB-1qgzA:
18.83
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.
1yac YCAC GENE PRODUCT

(Escherichia
coli)
PF00857
(Isochorismatase)
5 LEU A  17
LEU A  52
ILE A 109
ALA A  42
ALA A  47
None
1.00A 3mdvB-1yacA:
undetectable
3mdvB-1yacA:
18.48
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.
1zch HYPOTHETICAL
OXIDOREDUCTASE YCND


(Bacillus
subtilis)
PF00881
(Nitroreductase)
6 LEU A 161
VAL A  48
LEU A 130
THR A  50
ALA A  33
ALA A 125
None
1.39A 3mdvB-1zchA:
undetectable
3mdvB-1zchA:
19.26
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.
2bqx INORGANIC
PYROPHOSPHATASE


(Helicobacter
pylori)
PF00719
(Pyrophosphatase)
7 VAL A  68
THR A  60
ILE A 168
ALA A 167
GLU A 165
ALA A 160
ALA A  12
None
1.18A 3mdvB-2bqxA:
undetectable
3mdvB-2bqxA:
17.88
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Streptococcus
mutans)
PF00171
(Aldedh)
5 LEU A 311
LEU A 383
ILE A 304
ALA A 269
ALA A 276
None
0.99A 3mdvB-2euhA:
undetectable
3mdvB-2euhA:
23.05
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.
2gfq UPF0204 PROTEIN
PH0006


(Pyrococcus
horikoshii)
PF04414
(tRNA_deacylase)
5 LEU A 146
ILE A  74
ALA A  75
ALA A 110
THR A  94
None
0.92A 3mdvB-2gfqA:
undetectable
3mdvB-2gfqA:
22.13
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.
2hxo PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR


(Streptomyces
coelicolor)
PF00440
(TetR_N)
PF02909
(TetR_C)
5 LEU A 152
LEU A  97
ILE A 127
ALA A  89
ALA A  94
None
0.99A 3mdvB-2hxoA:
undetectable
3mdvB-2hxoA:
21.85
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.
2ism PUTATIVE
OXIDOREDUCTASE


(Thermus
thermophilus)
PF07995
(GSDH)
5 LEU A  61
ILE A  46
ALA A  47
ALA A  65
THR A  63
None
0.98A 3mdvB-2ismA:
undetectable
3mdvB-2ismA:
23.21
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.
2nlz CEPHALOSPORIN
ACYLASE


(Bacillus
halodurans)
PF01019
(G_glu_transpept)
5 VAL A  26
ILE A  40
ALA A  50
ALA A  55
THR A  56
None
0.93A 3mdvB-2nlzA:
undetectable
3mdvB-2nlzA:
24.06
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.
2oew PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN


(Homo sapiens)
PF03097
(BRO1)
5 LEU A  65
LEU A 124
ILE A 347
THR A 341
ALA A 128
None
0.92A 3mdvB-2oewA:
undetectable
3mdvB-2oewA:
22.15
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.
2pun METHYLTHIORIBOSE
KINASE


(Bacillus
subtilis)
PF01636
(APH)
5 LEU A 144
PHE A 296
ILE A 326
GLU A 329
ALA A 334
None
0.98A 3mdvB-2punA:
undetectable
3mdvB-2punA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q9g CYTOCHROME P450 46A1

(Homo sapiens)
PF00067
(p450)
12 LEU A 112
PHE A 121
VAL A 126
LEU A 219
THR A 298
ILE A 301
ALA A 302
GLU A 305
THR A 306
ALA A 367
ALA A 474
THR A 475
None
None
HEM  A 505 ( 3.8A)
None
None
None
HEM  A 505 (-3.7A)
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
None
0.39A 3mdvB-2q9gA:
66.1
3mdvB-2q9gA:
100.00
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.
2qfc PLCR PROTEIN

(Bacillus
thuringiensis)
PF01381
(HTH_3)
5 VAL A 121
LEU A 142
ILE A 161
ALA A 160
GLU A 158
None
1.00A 3mdvB-2qfcA:
undetectable
3mdvB-2qfcA:
21.29
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.
2qtz METHIONINE SYNTHASE
REDUCTASE


(Homo sapiens)
PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1)
5 LEU A 284
LEU A 593
THR A 547
ILE A 549
ALA A 550
None
None
FAD  A 700 ( 4.6A)
None
FAD  A 700 ( 4.7A)
0.72A 3mdvB-2qtzA:
undetectable
3mdvB-2qtzA:
21.16
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.
2qul D-TAGATOSE
3-EPIMERASE


(Pseudomonas
cichorii)
PF01261
(AP_endonuc_2)
6 LEU A  33
VAL A 244
LEU A 100
ILE A  36
ALA A 106
ALA A 102
None
1.20A 3mdvB-2qulA:
undetectable
3mdvB-2qulA:
21.21
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.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN


(Homo sapiens)
PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd)
5 LEU A  65
LEU A 124
ILE A 347
THR A 341
ALA A 128
None
0.93A 3mdvB-2r05A:
undetectable
3mdvB-2r05A:
20.73
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.
2rc5 FERREDOXIN-NADP
REDUCTASE


(Leptospira
interrogans)
PF00175
(NAD_binding_1)
5 LEU A  32
LEU A 217
THR A 175
ILE A 177
ALA A 178
None
None
FAD  A 415 (-3.4A)
None
FAD  A 415 ( 3.9A)
0.55A 3mdvB-2rc5A:
undetectable
3mdvB-2rc5A:
21.26
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN


(Azospirillum
brasilense)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
5 VAL A 644
LEU A 586
ILE A 618
ALA A 620
ALA A 626
None
0.78A 3mdvB-2vdcA:
undetectable
3mdvB-2vdcA:
15.83
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus)
PF00067
(p450)
5 ILE A 243
ALA A 244
GLU A 247
THR A 248
ALA A 291
VDX  A 501 (-4.2A)
HEM  A 413 (-3.5A)
None
HEM  A 413 (-3.2A)
HEM  A 413 ( 3.7A)
0.96A 3mdvB-2zbzA:
33.5
3mdvB-2zbzA:
27.10
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1)
no annotation 5 LEU A 131
THR A 204
ILE A 206
ALA A 207
ALA A 221
None
0.97A 3mdvB-3ahmA:
undetectable
3mdvB-3ahmA:
21.04
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE


(Micrococcus
luteus)
PF00348
(polyprenyl_synt)
5 LEU B  73
LEU B 116
THR B 138
ILE B 139
ALA B 119
None
2DE  B 329 ( 4.6A)
None
None
None
0.97A 3mdvB-3aqcB:
undetectable
3mdvB-3aqcB:
21.92
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.
3bw2 2-NITROPROPANE
DIOXYGENASE


(Streptomyces
ansochromogenes)
PF03060
(NMO)
5 VAL A  14
LEU A 200
ALA A 233
ALA A 168
ALA A 171
None
0.88A 3mdvB-3bw2A:
undetectable
3mdvB-3bw2A:
22.03
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.
3c2u XYLOSIDASE/ARABINOSI
DASE


(Selenomonas
ruminantium)
PF04616
(Glyco_hydro_43)
PF07081
(DUF1349)
5 LEU A 497
THR A 417
THR A 412
ALA A 384
ALA A 511
None
0.93A 3mdvB-3c2uA:
undetectable
3mdvB-3c2uA:
22.42
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens)
PF00067
(p450)
5 ILE A 309
ALA A 310
GLU A 313
THR A 314
THR A 488
None
HEM  A 601 (-3.3A)
None
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
0.60A 3mdvB-3c6gA:
36.0
3mdvB-3c6gA:
27.25
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803)
PF01596
(Methyltransf_3)
5 LEU A 159
PHE A 137
ILE A  89
ALA A 121
THR A 124
None
None
None
SAH  A 301 (-3.4A)
None
0.90A 3mdvB-3cbgA:
undetectable
3mdvB-3cbgA:
19.73
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.
3cmt PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A1143
ILE A1128
ALA A1125
GLU A1127
ALA A1174
None
0.90A 3mdvB-3cmtA:
undetectable
3mdvB-3cmtA:
13.57
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.
3cmt PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A2143
ILE A2128
ALA A2125
GLU A2127
ALA A2174
None
0.91A 3mdvB-3cmtA:
undetectable
3mdvB-3cmtA:
13.57
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.
3cmt PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A4143
ILE A4128
ALA A4125
GLU A4127
ALA A4174
None
0.90A 3mdvB-3cmtA:
undetectable
3mdvB-3cmtA:
13.57
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A 143
ILE A 128
ALA A 125
GLU A 127
ALA A 174
None
0.82A 3mdvB-3cmuA:
undetectable
3mdvB-3cmuA:
12.38
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A1143
ILE A1128
ALA A1125
GLU A1127
ALA A1174
None
0.82A 3mdvB-3cmuA:
undetectable
3mdvB-3cmuA:
12.38
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A2143
ILE A2128
ALA A2125
GLU A2127
ALA A2174
None
0.82A 3mdvB-3cmuA:
undetectable
3mdvB-3cmuA:
12.38
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A3143
ILE A3128
ALA A3125
GLU A3127
ALA A3174
None
0.83A 3mdvB-3cmuA:
undetectable
3mdvB-3cmuA:
12.38
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A4143
ILE A4128
ALA A4125
GLU A4127
ALA A4174
None
0.83A 3mdvB-3cmuA:
undetectable
3mdvB-3cmuA:
12.38
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 VAL A5143
ILE A5128
ALA A5125
GLU A5127
ALA A5174
None
0.83A 3mdvB-3cmuA:
undetectable
3mdvB-3cmuA:
12.38
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.
3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE


(Shewanella
oneidensis)
PF03702
(AnmK)
5 LEU A  81
ILE A  91
ALA A  93
ALA A 122
THR A 125
None
0.94A 3mdvB-3cqyA:
undetectable
3mdvB-3cqyA:
22.76
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.
3djd FRUCTOSYL AMINE:
OXYGEN
OXIDOREDUCTASE


(Aspergillus
fumigatus)
PF01266
(DAO)
5 LEU A 164
VAL A  41
LEU A  86
GLU A 170
ALA A  22
None
0.99A 3mdvB-3djdA:
undetectable
3mdvB-3djdA:
23.09
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.
3h6e CARBOHYDRATE KINASE,
FGGY


(Novosphingobium
aromaticivorans)
PF00370
(FGGY_N)
5 VAL A 223
LEU A  56
ILE A 213
ALA A 214
ALA A  63
None
0.98A 3mdvB-3h6eA:
undetectable
3mdvB-3h6eA:
24.58
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL


(Homo sapiens)
PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C)
5 LEU A  96
VAL A  94
ALA A 116
GLU A 121
ALA A  65
None
0.92A 3mdvB-3hlkA:
undetectable
3mdvB-3hlkA:
23.60
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.
3ifq PLAKOGLOBIN

(Homo sapiens)
PF00514
(Arm)
6 LEU A 497
LEU A 459
ILE A 485
ALA A 484
ALA A 445
ALA A 455
None
1.33A 3mdvB-3ifqA:
undetectable
3mdvB-3ifqA:
23.27
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.
3kkd TRANSCRIPTIONAL
REGULATOR


(Pseudomonas
aeruginosa)
PF00440
(TetR_N)
5 LEU A  82
LEU A  47
ALA A  62
GLU A  64
ALA A  39
None
0.95A 3mdvB-3kkdA:
undetectable
3mdvB-3kkdA:
22.22
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.
3kyf PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pseudomonas
putida)
PF07238
(PilZ)
PF07317
(YcgR)
5 PHE A 217
VAL A 215
LEU A 190
ILE A 158
ALA A 186
None
0.90A 3mdvB-3kyfA:
undetectable
3mdvB-3kyfA:
18.92
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.
3lxy 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE


(Yersinia pestis)
PF04166
(PdxA)
5 LEU A 319
THR A  11
ILE A  10
ALA A 115
ALA A 322
None
0.97A 3mdvB-3lxyA:
undetectable
3mdvB-3lxyA:
21.65
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE


(Pseudomonas
aeruginosa)
PF01979
(Amidohydro_1)
5 LEU A 387
ILE A   4
ALA A   3
ALA A  30
ALA A 385
None
0.92A 3mdvB-3mduA:
undetectable
3mdvB-3mduA:
23.16
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB


(Bacillus
subtilis)
PF00768
(Peptidase_S11)
PF07943
(PBP5_C)
5 LEU A 300
THR A 343
ILE A 344
ALA A 345
ALA A 273
None
0.99A 3mdvB-3mfdA:
undetectable
3mdvB-3mfdA:
20.80
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.
3nec INFLAMMATORY
PROFILIN


(Toxoplasma
gondii)
PF00235
(Profilin)
5 VAL A  77
LEU A 152
THR A 112
ILE A 111
ALA A 155
None
0.90A 3mdvB-3necA:
undetectable
3mdvB-3necA:
17.82
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.
3ow2 50S RIBOSOMAL
PROTEIN L19E


(Haloarcula
marismortui)
PF01280
(Ribosomal_L19e)
5 LEU O   3
PHE O  23
ILE O  49
ALA O  48
ALA O  34
C  01396 ( 3.8A)
None
None
None
None
0.98A 3mdvB-3ow2O:
undetectable
3mdvB-3ow2O:
16.93
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.
3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR


(Shewanella
loihica)
PF00440
(TetR_N)
5 LEU A  55
LEU A  20
ALA A  35
GLU A  37
ALA A  12
None
1.00A 3mdvB-3ppbA:
undetectable
3mdvB-3ppbA:
19.18
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.
3prl NADP-DEPENDENT
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Bacillus
halodurans)
PF00171
(Aldedh)
5 LEU A 320
LEU A 392
ILE A 313
ALA A 278
ALA A 285
None
0.94A 3mdvB-3prlA:
undetectable
3mdvB-3prlA:
22.67
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT


(Legionella
pneumophila)
PF01596
(Methyltransf_3)
5 LEU A 159
PHE A 137
ILE A  89
ALA A 121
THR A 124
None
0.69A 3mdvB-3r3hA:
undetectable
3mdvB-3r3hA:
20.54
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT A
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N


(Escherichia
coli)
PF00507
(Oxidored_q4)
no annotation
5 VAL A  80
LEU N 137
ALA K  70
GLU K  72
ALA K  65
None
0.91A 3mdvB-3rkoA:
undetectable
3mdvB-3rkoA:
16.23
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.
3t1u PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE


(Azotobacter
vinelandii)
PF00160
(Pro_isomerase)
5 THR A  82
ILE A  83
ALA A  84
ALA A  24
THR A  23
None
0.95A 3mdvB-3t1uA:
undetectable
3mdvB-3t1uA:
16.59
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.
3tal DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
NURA


(Pyrococcus
furiosus)
PF09376
(NurA)
5 LEU A 428
ILE A  64
ALA A  85
THR A  62
ALA A 438
None
0.94A 3mdvB-3talA:
undetectable
3mdvB-3talA:
23.38
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.
3trc PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE


(Coxiella
burnetii)
PF01590
(GAF)
5 LEU A  35
THR A 147
ALA A 143
GLU A 141
ALA A   0
None
0.96A 3mdvB-3trcA:
undetectable
3mdvB-3trcA:
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.
3wvs PUTATIVE
MONOOXYGENASE


(Streptomyces
sp. SN-593)
PF00067
(p450)
5 LEU A 176
ILE A 240
ALA A 241
GLU A 244
THR A 245
RRM  A 502 (-4.9A)
RRM  A 502 ( 3.9A)
HEM  A 501 (-3.8A)
None
HEM  A 501 (-3.3A)
0.73A 3mdvB-3wvsA:
32.3
3mdvB-3wvsA:
24.45
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE


(Paenarthrobacter
aurescens)
PF00202
(Aminotran_3)
5 VAL A 268
LEU A 167
ALA A 137
GLU A 139
THR A 165
PLP  A1456 (-4.2A)
None
None
None
None
1.00A 3mdvB-4atqA:
undetectable
3mdvB-4atqA:
21.36
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE


(Rhodococcus
jostii)
PF01494
(FAD_binding_3)
5 VAL A  63
LEU A 128
THR A 116
ALA A  24
ALA A 126
None
0.95A 3mdvB-4bk1A:
undetectable
3mdvB-4bk1A:
23.24
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.
4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1


(Homo sapiens)
PF00043
(GST_C)
6 LEU B  61
VAL B  71
LEU B  10
THR B 114
ILE B 118
ALA B  48
None
1.27A 3mdvB-4bvxB:
undetectable
3mdvB-4bvxB:
19.51
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Thermobispora
bispora)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 LEU A  65
VAL A   6
LEU A  73
ALA A 115
GLU A 113
None
0.99A 3mdvB-4dhgA:
undetectable
3mdvB-4dhgA:
21.12
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.
4dmg PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493


(Thermus
thermophilus)
PF02475
(Met_10)
5 LEU A 315
PHE A 281
VAL A 284
ALA A 270
THR A 273
None
None
None
SAM  A 401 (-3.7A)
None
0.96A 3mdvB-4dmgA:
undetectable
3mdvB-4dmgA:
23.86
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.
4etz PELD

(Pseudomonas
aeruginosa)
PF13492
(GAF_3)
PF16963
(PelD_GGDEF)
6 LEU A 192
VAL A 265
LEU A 160
ILE A 298
ALA A 297
ALA A 304
None
1.50A 3mdvB-4etzA:
undetectable
3mdvB-4etzA:
23.28
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.
4ex6 ALNB

(Streptomyces
sp. CM020)
PF13419
(HAD_2)
5 THR A  29
ILE A  30
ALA A  26
ALA A  90
ALA A  85
None
0.97A 3mdvB-4ex6A:
undetectable
3mdvB-4ex6A:
19.26
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.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Caulobacter sp.
K31)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 LEU A 233
LEU A 202
ILE A 147
THR A 132
ALA A 198
None
0.98A 3mdvB-4fi4A:
undetectable
3mdvB-4fi4A:
24.54
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.
4i6j F-BOX/LRR-REPEAT
PROTEIN 3


(Homo sapiens)
PF12937
(F-box-like)
6 LEU B 144
PHE B 115
VAL B 117
ILE B 130
ALA B 126
ALA B 163
None
1.13A 3mdvB-4i6jB:
undetectable
3mdvB-4i6jB:
21.81
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.
4isy CYSTEINE DESULFURASE

(Mycobacterium
tuberculosis)
PF00266
(Aminotran_5)
6 LEU A 356
PHE A 302
LEU A 371
GLU A 281
ALA A 377
ALA A 370
None
1.48A 3mdvB-4isyA:
undetectable
3mdvB-4isyA:
22.86
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5


(Homo sapiens)
PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8)
5 LEU A 236
LEU A 262
THR A 255
ILE A 253
ALA A 252
None
0.89A 3mdvB-4kngA:
undetectable
3mdvB-4kngA:
22.87
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis)
no annotation 5 LEU A 213
THR A 233
ILE A 316
ALA A 231
ALA A 216
None
0.97A 3mdvB-4mfzA:
undetectable
3mdvB-4mfzA:
23.68
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.
4q3n MGS-M5

(unidentified)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 VAL A  14
LEU A  74
THR A  78
ALA A 119
ALA A 237
None
0.99A 3mdvB-4q3nA:
undetectable
3mdvB-4q3nA:
18.86
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.
4q73 PROLINE
DEHYDROGENASE


(Bradyrhizobium
diazoefficiens)
PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg)
6 LEU A  67
THR A 139
ILE A 140
ALA A  79
ALA A 155
THR A 156
None
1.44A 3mdvB-4q73A:
undetectable
3mdvB-4q73A:
17.46
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.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN


(Pseudoalteromonas
sp. SM9913)
no annotation 5 LEU H 276
THR H 251
ILE H 254
ALA H 255
THR H 259
None
0.93A 3mdvB-4qfkH:
undetectable
3mdvB-4qfkH:
22.51
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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY


(Escherichia
coli;
Thermotoga
maritima)
PF00072
(Response_reg)
PF13458
(Peripla_BP_6)
5 VAL A   5
LEU A 298
ILE A  97
ALA A 282
THR A 281
None
0.94A 3mdvB-4qwvA:
undetectable
3mdvB-4qwvA:
20.72
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.
4ubs PENTALENIC ACID
SYNTHASE


(Streptomyces
avermitilis)
PF00067
(p450)
6 LEU A 178
ILE A 240
ALA A 241
GLU A 244
THR A 245
ALA A 288
None
DIF  A 502 (-3.3A)
HEM  A 501 ( 3.8A)
None
HEM  A 501 ( 3.3A)
HEM  A 501 ( 3.7A)
0.99A 3mdvB-4ubsA:
33.6
3mdvB-4ubsA:
26.87
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.
4udn PERIPLASMIC SOLUTE
BINDING PROTEIN


(Candidatus
Liberibacter
asiaticus)
PF01297
(ZnuA)
5 LEU A  58
VAL A  28
ILE A  21
ALA A  22
ALA A 124
None
0.96A 3mdvB-4udnA:
undetectable
3mdvB-4udnA:
22.25
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.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5


(Homo sapiens)
PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8)
5 LEU A 236
LEU A 262
THR A 255
ILE A 253
ALA A 252
None
0.84A 3mdvB-4ufsA:
undetectable
3mdvB-4ufsA:
22.81
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.
4wzs ECU04_1440 PROTEIN

(Encephalitozoon
cuniculi)
PF00352
(TBP)
6 PHE D 113
VAL D  32
ALA D  94
ALA D  71
ALA D  84
THR D  69
None
1.46A 3mdvB-4wzsD:
undetectable
3mdvB-4wzsD:
17.29
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.
4xq2 CALE6

(Micromonospora
echinospora)
PF01053
(Cys_Met_Meta_PP)
5 VAL A 205
LEU A  61
THR A 196
ILE A 199
ALA A 200
None
None
LLP  A 197 ( 3.5A)
None
LLP  A 197 ( 4.7A)
0.94A 3mdvB-4xq2A:
undetectable
3mdvB-4xq2A:
23.72
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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis)
PF00004
(AAA)
PF05362
(Lon_C)
5 LEU A 663
VAL A 665
LEU A 653
ALA A 686
ALA A 640
None
0.95A 3mdvB-4yplA:
undetectable
3mdvB-4yplA:
24.20
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.
4zz7 METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE


(Oceanimonas
doudoroffii)
PF00171
(Aldedh)
5 ILE A  46
ALA A  45
GLU A  43
ALA A  37
ALA A 210
None
0.94A 3mdvB-4zz7A:
undetectable
3mdvB-4zz7A:
21.44
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE


(Klebsiella
pneumoniae)
PF01228
(Gly_radical)
PF02901
(PFL-like)
5 LEU A 402
ALA A 645
GLU A 647
ALA A 703
ALA A 651
None
1.00A 3mdvB-5a0zA:
undetectable
3mdvB-5a0zA:
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE


(Klebsiella
pneumoniae)
PF01228
(Gly_radical)
PF02901
(PFL-like)
5 LEU A 599
ALA A 645
GLU A 647
ALA A 703
ALA A 651
None
0.88A 3mdvB-5a0zA:
undetectable
3mdvB-5a0zA:
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.
5bmo PUTATIVE
UNCHARACTERIZED
PROTEIN LNMX


(Streptomyces
atroolivaceus)
PF02585
(PIG-L)
5 LEU A 143
ILE A 173
ALA A 174
ALA A  17
ALA A 142
None
0.95A 3mdvB-5bmoA:
undetectable
3mdvB-5bmoA:
19.59
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.
5boh BETA-LACTAMASE

(Acinetobacter
baumannii)
PF00905
(Transpeptidase)
5 LEU A 193
PHE A 195
LEU A 151
ILE A  92
ALA A  90
None
None
None
None
KCX  A  86 ( 3.4A)
0.84A 3mdvB-5bohA:
undetectable
3mdvB-5bohA:
20.82
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED


(Cupriavidus
metallidurans)
PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK)
5 LEU A1066
LEU A1075
ILE A 687
ALA A 684
THR A1079
None
1.00A 3mdvB-5cjuA:
undetectable
3mdvB-5cjuA:
18.40
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.
5dku PREX DNA POLYMERASE

(Plasmodium
falciparum)
PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1)
5 PHE A 498
LEU A 488
ILE A 461
ALA A 462
ALA A 482
None
0.97A 3mdvB-5dkuA:
undetectable
3mdvB-5dkuA:
21.04
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE


(Bacillus
megaterium)
PF00067
(p450)
8 LEU A  75
LEU A 181
ILE A 263
ALA A 264
GLU A 267
THR A 268
ALA A 328
THR A 438
None
None
None
HEM  A 501 (-3.6A)
None
HEM  A 501 (-3.4A)
HEM  A 501 ( 3.8A)
None
1.25A 3mdvB-5e78A:
43.2
3mdvB-5e78A:
25.83
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE


(Bacillus
megaterium)
PF00067
(p450)
6 THR A 260
ALA A 264
GLU A 267
THR A 268
ALA A 328
THR A 438
None
HEM  A 501 (-3.6A)
None
HEM  A 501 (-3.4A)
HEM  A 501 ( 3.8A)
None
0.97A 3mdvB-5e78A:
43.2
3mdvB-5e78A:
25.83
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.
5e8c UL31

(Suid
alphaherpesvirus
1)
PF02718
(Herpes_UL31)
5 LEU A 125
PHE A 124
VAL A 128
LEU A 115
ALA A 236
None
0.98A 3mdvB-5e8cA:
undetectable
3mdvB-5e8cA:
21.22
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.
5ei0 SERPIN A12

(Homo sapiens)
PF00079
(Serpin)
5 VAL A 384
LEU A 299
THR A 258
ILE A 259
GLU A 261
None
0.99A 3mdvB-5ei0A:
undetectable
3mdvB-5ei0A:
22.70