SIMILAR PATTERNS OF AMINO ACIDS FOR 3MDT_B_VORB506

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.
1cwu ENOYL ACP REDUCTASE

(Brassica napus)
PF13561
(adh_short_C2)
5 LEU A 186
ILE A 231
ALA A 266
ALA A  37
ALA A 273
NAD  A 501 (-3.6A)
None
None
None
None
1.12A 3mdtB-1cwuA:
0.0
3mdtB-1cwuA:
20.26
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F


([Clostridium]
cellulolyticum)
PF02011
(Glyco_hydro_48)
6 LEU A 501
SER A 500
ILE A 445
ALA A 423
ALA A 509
ALA A 442
None
1.33A 3mdtB-1fbwA:
0.0
3mdtB-1fbwA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE


(Medicago sativa)
PF00891
(Methyltransf_2)
PF08100
(Dimerisation)
5 LEU A  49
PHE A  50
ALA A 133
THR A 137
ALA A  43
None
1.11A 3mdtB-1fpqA:
undetectable
3mdtB-1fpqA:
20.13
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.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus)
PF01368
(DHH)
PF02272
(DHHA1)
5 LEU A 288
ILE A 272
ALA A 215
THR A 218
ALA A  83
None
1.00A 3mdtB-1ir6A:
0.0
3mdtB-1ir6A:
22.40
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.
1k4l 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE


(Magnaporthe
grisea)
PF00926
(DHBP_synthase)
5 LEU A  77
PHE A 131
ALA A 117
ALA A  46
ALA A 123
None
0.87A 3mdtB-1k4lA:
0.0
3mdtB-1k4lA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n3s GTP CYCLOHYDROLASE I

(Escherichia
coli)
PF01227
(GTP_cyclohydroI)
5 LEU A 162
VAL A 141
ALA A 121
ALA A 124
THR A 100
None
1.13A 3mdtB-1n3sA:
undetectable
3mdtB-1n3sA:
21.10
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 TYR A  68
ALA A 221
THR A 225
ALA A 268
THR A 372
HEM  A 602 (-4.6A)
HEM  A 602 (-3.3A)
HEM  A 602 (-3.8A)
HEM  A 602 ( 4.0A)
None
0.93A 3mdtB-1n97A:
40.0
3mdtB-1n97A:
31.17
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 TYR A  68
LEU A  71
THR A 225
ALA A 268
THR A 372
HEM  A 602 (-4.6A)
EDO  A 715 ( 4.9A)
HEM  A 602 (-3.8A)
HEM  A 602 ( 4.0A)
None
1.08A 3mdtB-1n97A:
40.0
3mdtB-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.
1nvp TATA BOX BINDING
PROTEIN


(Homo sapiens)
PF00352
(TBP)
5 VAL A 172
ILE A 168
ALA A 211
ALA A 224
THR A 209
None
1.12A 3mdtB-1nvpA:
undetectable
3mdtB-1nvpA:
18.12
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.
1o60 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE


(Haemophilus
influenzae)
PF00793
(DAHP_synth_1)
5 TYR A  52
VAL A  90
ILE A 111
ALA A  56
THR A  94
None
1.08A 3mdtB-1o60A:
0.0
3mdtB-1o60A:
22.20
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.
1qpo QUINOLINATE ACID
PHOSPHORIBOSYL
TRANSFERASE


(Mycobacterium
tuberculosis)
PF01729
(QRPTase_C)
PF02749
(QRPTase_N)
5 LEU A 114
SER A 115
ALA A  59
THR A  62
ALA A  11
None
1.02A 3mdtB-1qpoA:
undetectable
3mdtB-1qpoA:
23.44
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.
1u7h ORNITHINE
CYCLODEAMINASE


(Pseudomonas
putida)
PF02423
(OCD_Mu_crystall)
5 LEU A 152
PHE A 148
ALA A 114
ALA A  27
ALA A 120
None
1.04A 3mdtB-1u7hA:
undetectable
3mdtB-1u7hA:
22.11
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.
1uhp HYPOTHETICAL PROTEIN
KIAA1095


(Homo sapiens)
PF00595
(PDZ)
5 LEU A  21
ILE A  93
ALA A  82
ALA A  89
THR A  88
None
0.95A 3mdtB-1uhpA:
undetectable
3mdtB-1uhpA:
14.49
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.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE


(Mycobacterium
tuberculosis)
PF13561
(adh_short_C2)
5 LEU A 224
PHE A 223
SER A 226
ILE A 237
ALA A 235
None
1.06A 3mdtB-1uznA:
undetectable
3mdtB-1uznA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vft ALANINE RACEMASE

(Streptomyces
lavendulae)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
5 VAL A 104
ILE A  96
ALA A 154
ALA A 117
THR A 159
None
1.07A 3mdtB-1vftA:
undetectable
3mdtB-1vftA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkm METHIONINE
AMINOPEPTIDASE


(Pyrococcus
furiosus)
PF00557
(Peptidase_M24)
5 LEU A  54
SER A  55
ILE A  37
ALA A  95
ALA A  20
None
None
None
MN  A 297 ( 4.8A)
None
1.08A 3mdtB-1wkmA:
undetectable
3mdtB-1wkmA:
21.40
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.
1yd7 2-KETO
ACID:FERREDOXIN
OXIDOREDUCTASE
SUBUNIT ALPHA


(Pyrococcus
furiosus)
PF01855
(POR_N)
5 PHE A   7
ILE A 190
ALA A  25
THR A 159
ALA A 155
None
1.12A 3mdtB-1yd7A:
undetectable
3mdtB-1yd7A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ykg SULFITE REDUCTASE
[NADPH] FLAVOPROTEIN
ALPHA-COMPONENT


(Escherichia
coli)
PF00258
(Flavodoxin_1)
5 LEU A 134
PHE A 133
SER A 136
ILE A 105
ALA A 106
None
1.08A 3mdtB-1ykgA:
undetectable
3mdtB-1ykgA:
16.30
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.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'


(Medicago
truncatula)
PF00891
(Methyltransf_2)
PF08100
(Dimerisation)
5 LEU A 104
PHE A  84
ILE A  45
ALA A  36
ALA A  44
None
0.88A 3mdtB-1zgjA:
undetectable
3mdtB-1zgjA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a5z HYPOTHETICAL PROTEIN
SO2946


(Shewanella
oneidensis)
no annotation 5 PHE A 251
VAL A 122
ILE A 228
ALA A 105
THR A 141
None
1.12A 3mdtB-2a5zA:
undetectable
3mdtB-2a5zA:
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.
2bcc UBIQUINOL CYTOCHROME
C OXIDOREDUCTASE


(Gallus gallus)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
5 LEU A 345
VAL A 410
ILE A 276
ALA A 269
ALA A 275
None
1.07A 3mdtB-2bccA:
undetectable
3mdtB-2bccA:
22.88
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE


(Thermus
thermophilus)
PF00698
(Acyl_transf_1)
5 LEU A 144
VAL A 170
ILE A 140
ALA A 130
ALA A 153
None
1.13A 3mdtB-2cuyA:
undetectable
3mdtB-2cuyA:
25.22
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.
2dnq RNA-BINDING PROTEIN
4B


(Homo sapiens)
PF00076
(RRM_1)
5 LEU A   4
SER A  70
ILE A  42
ALA A  47
THR A  46
None
1.12A 3mdtB-2dnqA:
undetectable
3mdtB-2dnqA:
11.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7c TOXIN A

(Clostridioides
difficile)
PF01473
(CW_binding_1)
5 VAL A 167
ILE A 205
ALA A 214
THR A 216
ALA A 235
None
GOL  A 501 (-3.9A)
None
None
None
1.08A 3mdtB-2g7cA:
undetectable
3mdtB-2g7cA:
19.39
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Staphylococcus
aureus)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 LEU A  55
PHE A  58
THR A  76
ALA A 236
THR A 192
None
1.08A 3mdtB-2gqdA:
undetectable
3mdtB-2gqdA:
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.
2ill TITIN

(Homo sapiens)
PF07679
(I-set)
5 LEU A 160
VAL A 120
SER A 121
ILE A 143
ALA A 171
None
1.07A 3mdtB-2illA:
undetectable
3mdtB-2illA:
18.49
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.
2nxg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE


(Aquifex
aeolicus)
PF00793
(DAHP_synth_1)
5 ILE A1208
ALA A1008
ALA A1237
ALA A1183
THR A1184
None
1.05A 3mdtB-2nxgA:
undetectable
3mdtB-2nxgA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3b SUGAR-NON-SPECIFIC
NUCLEASE INHIBITOR


(Nostoc sp. PCC
7120)
PF07924
(NuiA)
5 LEU B  19
PHE B  29
SER B  16
ALA B  70
THR B  71
None
0.88A 3mdtB-2o3bB:
undetectable
3mdtB-2o3bB:
17.14
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)
10 TYR A 109
LEU A 112
PHE A 121
VAL A 126
ILE A 222
ALA A 302
THR A 306
ALA A 367
ALA A 474
THR A 475
None
None
None
HEM  A 505 ( 3.8A)
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
None
0.47A 3mdtB-2q9gA:
65.5
3mdtB-2q9gA:
100.00
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)
10 TYR A 109
PHE A 121
VAL A 126
SER A 127
ILE A 222
ALA A 302
THR A 306
ALA A 367
ALA A 474
THR A 475
None
None
HEM  A 505 ( 3.8A)
None
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
None
0.42A 3mdtB-2q9gA:
65.5
3mdtB-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.
2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE


(Plasmodium
vivax)
PF01233
(NMT)
PF02799
(NMT_C)
5 LEU A 379
PHE A 381
ILE A 353
ALA A 366
ALA A 352
None
1.13A 3mdtB-2yneA:
undetectable
3mdtB-2yneA:
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
5 TYR A 513
LEU A 514
ILE A 391
ALA A 522
ALA A 337
None
0.99A 3mdtB-2z1aA:
undetectable
3mdtB-2z1aA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6h CATENIN BETA-1

(Homo sapiens)
PF00514
(Arm)
5 LEU A 221
SER A 179
ILE A 231
THR A 201
ALA A 197
None
1.13A 3mdtB-2z6hA:
undetectable
3mdtB-2z6hA:
21.20
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.
2zal L-ASPARAGINASE

(Escherichia
coli)
PF01112
(Asparaginase_2)
5 LEU A  60
ILE A   8
ALA A  34
ALA B 298
THR B 308
None
1.05A 3mdtB-2zalA:
undetectable
3mdtB-2zalA:
18.34
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ


(Thermus
thermophilus)
PF01368
(DHH)
PF02272
(DHHA1)
5 LEU A 288
ILE A 272
ALA A 215
THR A 218
ALA A  83
None
1.05A 3mdtB-2zxoA:
undetectable
3mdtB-2zxoA:
22.16
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.
3c17 L-ASPARAGINASE
PRECURSOR


(Escherichia
coli)
PF01112
(Asparaginase_2)
5 LEU A  60
ILE A   8
ALA A  34
ALA A 298
THR A 308
None
1.10A 3mdtB-3c17A:
undetectable
3mdtB-3c17A:
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.
3cb7 LYS-RICH LYSOZYME 2

(Musca domestica)
PF00062
(Lys)
5 LEU A  12
PHE A   7
SER A  11
ILE A  57
ALA A  93
LEU  A  12 ( 0.6A)
PHE  A   7 ( 1.3A)
SER  A  11 ( 0.0A)
ILE  A  57 ( 0.6A)
ALA  A  93 ( 0.0A)
0.99A 3mdtB-3cb7A:
undetectable
3mdtB-3cb7A:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
5 LEU A  93
ILE A 191
ALA A 133
ALA A 128
ALA A 161
None
1.12A 3mdtB-3dd6A:
undetectable
3mdtB-3dd6A:
19.40
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II


(Bartonella
henselae)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 VAL A  12
ILE A 111
ALA A  85
ALA A  78
ALA A 149
None
1.02A 3mdtB-3e60A:
undetectable
3mdtB-3e60A:
23.11
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Ruegeria
pomeroyi)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 VAL A 194
ILE A 174
ALA A 203
ALA A 236
ALA A 209
None
1.03A 3mdtB-3eezA:
undetectable
3mdtB-3eezA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f1x SERINE
ACETYLTRANSFERASE


(Bacteroides
vulgatus)
PF00132
(Hexapep)
5 PHE A 203
ILE A 213
ALA A 156
THR A 189
ALA A 185
None
0.99A 3mdtB-3f1xA:
undetectable
3mdtB-3f1xA:
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B


(Sulfolobus
solfataricus)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
5 LEU B 123
SER B 125
ILE B 153
ALA B  94
ALA B  85
None
1.09A 3mdtB-3hkzB:
undetectable
3mdtB-3hkzB:
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA


(Moorella
thermoacetica)
PF03063
(Prismane)
5 ILE A 212
ALA A 234
THR A 593
ALA A 589
ALA A 110
None
1.09A 3mdtB-3i04A:
undetectable
3mdtB-3i04A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL


(Plasmodium
falciparum)
PF01180
(DHO_dh)
6 LEU A 430
PHE A 488
SER A 457
ILE A 442
ALA A 443
THR A 496
None
1.37A 3mdtB-3i6rA:
undetectable
3mdtB-3i6rA:
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.
3lov PROTOPORPHYRINOGEN
OXIDASE


(Exiguobacterium
sibiricum)
PF01593
(Amino_oxidase)
5 LEU A 169
ILE A 100
ALA A 341
THR A 343
ALA A  89
None
1.08A 3mdtB-3lovA:
undetectable
3mdtB-3lovA:
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.
3lu2 LMO2462 PROTEIN

(Listeria
monocytogenes)
PF01244
(Peptidase_M19)
5 VAL A 170
SER A 171
ILE A 247
ALA A 218
ALA A 212
None
1.03A 3mdtB-3lu2A:
undetectable
3mdtB-3lu2A:
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA


(Saccharomyces
cerevisiae)
PF00365
(PFK)
5 TYR B 767
LEU B 768
SER B 718
ALA B 598
ALA B 736
None
None
FDP  B   2 (-2.5A)
None
None
1.10A 3mdtB-3o8oB:
undetectable
3mdtB-3o8oB:
20.13
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.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Ralstonia
pickettii)
PF13378
(MR_MLE_C)
6 VAL A 341
ILE A 325
ALA A 328
ALA A 308
ALA A 303
THR A 304
None
1.22A 3mdtB-3p0wA:
undetectable
3mdtB-3p0wA:
24.07
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.
3pfr MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Actinobacillus
succinogenes)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
6 VAL A 326
ILE A 310
ALA A 313
ALA A 293
ALA A 288
THR A 289
None
1.25A 3mdtB-3pfrA:
undetectable
3mdtB-3pfrA:
22.43
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.
3pi7 NADH OXIDOREDUCTASE

(Mesorhizobium
loti)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 ILE A 146
ALA A  58
ALA A 123
ALA A 110
THR A 111
None
None
None
None
GOL  A 349 (-3.8A)
1.13A 3mdtB-3pi7A:
undetectable
3mdtB-3pi7A:
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.
3r5e TRANSALDOLASE

(Corynebacterium
glutamicum)
PF00923
(TAL_FSA)
5 LEU A 329
PHE A 333
ILE A 210
ALA A 315
ALA A 229
None
1.05A 3mdtB-3r5eA:
undetectable
3mdtB-3r5eA:
25.00
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.
3rhd LACTALDEHYDE
DEHYDROGENASE


(Methanocaldococcus
jannaschii)
PF00171
(Aldedh)
5 LEU A  62
ILE A 155
ALA A 148
ALA A 450
ALA A 154
None
1.13A 3mdtB-3rhdA:
undetectable
3mdtB-3rhdA:
22.29
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.
3rhd LACTALDEHYDE
DEHYDROGENASE


(Methanocaldococcus
jannaschii)
PF00171
(Aldedh)
5 LEU A  62
PHE A 102
ILE A 155
ALA A 450
ALA A 154
None
1.00A 3mdtB-3rhdA:
undetectable
3mdtB-3rhdA:
22.29
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
5 TYR A 403
VAL A 424
THR A 282
ALA A 288
THR A 287
None
1.13A 3mdtB-3ttsA:
undetectable
3mdtB-3ttsA:
20.85
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.
3tx1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE


(Listeria
monocytogenes)
PF01565
(FAD_binding_4)
PF02873
(MurB_C)
5 LEU A 145
PHE A 186
ILE A 141
ALA A  95
ALA A 129
None
None
None
None
FAD  A 299 (-4.0A)
1.10A 3mdtB-3tx1A:
undetectable
3mdtB-3tx1A:
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.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE


(Bacillus cereus)
PF01048
(PNP_UDP_1)
6 ILE A  69
ALA A 156
THR A 111
ALA A 109
ALA A 184
THR A 183
None
1.22A 3mdtB-3uavA:
undetectable
3mdtB-3uavA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vnd TRYPTOPHAN SYNTHASE
ALPHA CHAIN


(Shewanella
frigidimarina)
PF00290
(Trp_syntA)
5 LEU A 100
PHE A  53
VAL A 107
ILE A  86
ALA A 122
None
1.13A 3mdtB-3vndA:
undetectable
3mdtB-3vndA:
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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT


(Comamonas
testosteroni)
PF02900
(LigB)
5 LEU B 187
VAL B 147
ILE B   5
THR B 181
ALA B 177
None
1.04A 3mdtB-3vsjB:
undetectable
3mdtB-3vsjB:
19.67
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.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL


(Homo sapiens)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD)
5 LEU A  81
VAL A 143
ILE A  72
ALA A 146
ALA A 110
None
1.08A 3mdtB-4ah6A:
undetectable
3mdtB-4ah6A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN


(Burkholderia
pseudomallei)
no annotation 5 TYR A   8
LEU A  62
VAL A  10
ALA A 211
ALA A 217
None
0.86A 3mdtB-4bqnA:
undetectable
3mdtB-4bqnA:
23.26
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.
4dgu PUTATIVE CELL
ADHESION PROTEIN


(Bacteroides
thetaiotaomicron)
no annotation 5 LEU A 143
VAL A 141
SER A 142
ILE A  66
ALA A  70
None
1.14A 3mdtB-4dguA:
undetectable
3mdtB-4dguA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4du6 GTP CYCLOHYDROLASE 1

(Yersinia pestis)
PF01227
(GTP_cyclohydroI)
5 LEU A 161
VAL A 140
ALA A 120
ALA A 123
THR A  99
None
1.10A 3mdtB-4du6A:
undetectable
3mdtB-4du6A:
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.
4ecd CHORISMATE SYNTHASE

(Bifidobacterium
longum)
PF01264
(Chorismate_synt)
5 LEU A 248
ILE A 309
ALA A 364
ALA A 227
THR A 162
None
1.00A 3mdtB-4ecdA:
undetectable
3mdtB-4ecdA:
23.57
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE


(Homo sapiens)
PF13561
(adh_short_C2)
5 VAL A 144
SER A 145
ILE A 109
ALA A 100
ALA A  31
None
1.09A 3mdtB-4fc7A:
undetectable
3mdtB-4fc7A:
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.
4g34 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3


(Homo sapiens)
PF00069
(Pkinase)
5 LEU A 927
PHE A 926
SER A 929
ILE A 650
ALA A 641
None
1.14A 3mdtB-4g34A:
undetectable
3mdtB-4g34A:
22.89
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.
4hyr GLUCARATE
DEHYDRATASE


(Acidaminococcus
intestini)
PF13378
(MR_MLE_C)
6 VAL A 321
ILE A 305
ALA A 308
ALA A 288
ALA A 283
THR A 284
None
1.29A 3mdtB-4hyrA:
undetectable
3mdtB-4hyrA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
5 LEU A  73
PHE A 113
ILE A 172
ALA A 470
ALA A 171
None
1.01A 3mdtB-4i3uA:
undetectable
3mdtB-4i3uA:
23.01
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.
4iiv 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE


(Escherichia
coli)
PF13561
(adh_short_C2)
5 LEU A 138
ILE A 181
ALA A 213
ALA A  19
ALA A 220
NAP  A1901 ( 4.4A)
None
None
None
None
1.09A 3mdtB-4iivA:
undetectable
3mdtB-4iivA:
21.58
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.
4j6c CYTOCHROME P450
MONOOXYGENASE


(Nocardia
farcinica)
PF00067
(p450)
5 LEU A 153
PHE A 149
ILE A 253
ALA A 373
ALA A 367
None
1.12A 3mdtB-4j6cA:
32.3
3mdtB-4j6cA:
24.59
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.
4knw N-ACYLNEURAMINATE-9-
PHOSPHATASE


(Homo sapiens)
PF13419
(HAD_2)
5 TYR A  41
LEU A  37
ILE A  50
THR A  75
ALA A  81
None
1.13A 3mdtB-4knwA:
undetectable
3mdtB-4knwA:
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.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE


(Salmonella
enterica)
PF02277
(DBI_PRT)
5 LEU A 251
VAL A 155
SER A 156
ILE A 277
ALA A 273
None
0.92A 3mdtB-4kqkA:
undetectable
3mdtB-4kqkA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbx TCDA

(Clostridioides
difficile)
PF01473
(CW_binding_1)
5 VAL A  49
ILE A  87
ALA A  96
THR A  98
ALA A 117
None
1.07A 3mdtB-4nbxA:
undetectable
3mdtB-4nbxA:
14.32
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.
4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]


(Chlamydia
trachomatis)
PF13561
(adh_short_C2)
5 LEU A 176
ILE A 221
ALA A 256
ALA A  27
ALA A 263
NAI  A 301 (-3.8A)
None
None
None
None
1.14A 3mdtB-4q9nA:
undetectable
3mdtB-4q9nA:
21.52
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.
4qts CRISPR TYPE
III-ASSOCIATED RAMP
PROTEIN CSM4


(Methanocaldococcus
jannaschii)
PF03787
(RAMPs)
5 LEU A  62
PHE A 206
SER A  63
ILE A  37
ALA A  36
None
1.12A 3mdtB-4qtsA:
undetectable
3mdtB-4qtsA:
21.67
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.
4u7l LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1


(Homo sapiens)
PF01463
(LRRCT)
PF13855
(LRR_8)
5 LEU A 408
ILE A 439
ALA A 429
ALA A 377
ALA A 426
None
1.03A 3mdtB-4u7lA:
undetectable
3mdtB-4u7lA:
24.17
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.
4ut1 FLAGELLAR
HOOK-ASSOCIATED
PROTEIN


(Burkholderia
pseudomallei)
PF06429
(Flg_bbr_C)
5 LEU A 367
SER A 415
ILE A 399
ALA A 388
THR A 389
None
1.06A 3mdtB-4ut1A:
undetectable
3mdtB-4ut1A:
20.62
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.
4wsb POLYMERASE PB2

(Influenza A
virus)
PF00604
(Flu_PB2)
5 LEU C 280
SER C 279
ILE C 310
ALA C 262
ALA C 307
None
1.13A 3mdtB-4wsbC:
undetectable
3mdtB-4wsbC:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 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)
5 PHE D 113
VAL D  32
ALA D  71
ALA D  84
THR D  69
None
1.13A 3mdtB-4wzsD:
undetectable
3mdtB-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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa)
PF00144
(Beta-lactamase)
5 LEU A 387
SER A 385
ILE A  58
ALA A  41
ALA A  36
None
1.05A 3mdtB-4x68A:
undetectable
3mdtB-4x68A:
23.14
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli)
PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C)
5 LEU A 189
ILE A 145
ALA A 115
ALA A  31
ALA A 147
None
1.09A 3mdtB-4xmvA:
undetectable
3mdtB-4xmvA:
19.20
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE


(Klebsiella
pneumoniae)
PF01228
(Gly_radical)
PF02901
(PFL-like)
5 LEU A 599
ILE A 403
ALA A 645
ALA A 703
ALA A 651
None
1.06A 3mdtB-5a0zA:
undetectable
3mdtB-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.
5c5g SPHERULIN-4

(Aspergillus
clavatus)
PF12138
(Spherulin4)
5 LEU A 236
ILE A 206
ALA A 250
ALA A 223
ALA A 205
None
1.13A 3mdtB-5c5gA:
undetectable
3mdtB-5c5gA:
19.87
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE


(Bacillus
megaterium)
PF00067
(p450)
5 LEU A  75
ALA A 264
THR A 268
ALA A 328
THR A 438
None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 3.8A)
None
1.02A 3mdtB-5e78A:
43.2
3mdtB-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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE


(Deinococcus
radiodurans)
PF01368
(DHH)
PF02272
(DHHA1)
5 LEU A 291
ILE A 275
THR A 220
ALA A 190
ALA A  82
None
1.01A 3mdtB-5f56A:
undetectable
3mdtB-5f56A:
22.10
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.
5fz5 TATA-BOX-BINDING
PROTEIN


(Saccharomyces
cerevisiae)
PF00352
(TBP)
5 PHE O 155
VAL O  74
ILE O  70
ALA O 126
THR O 111
None
1.13A 3mdtB-5fz5O:
undetectable
3mdtB-5fz5O:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5htp PROBABLE SUGAR
KINASE


(Synechococcus
elongatus)
PF02782
(FGGY_C)
5 ILE A 223
ALA A 142
ALA A  67
ALA A 224
THR A 407
None
1.11A 3mdtB-5htpA:
undetectable
3mdtB-5htpA:
25.33
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.
5jpn COMPLEMENT C4-A

(Homo sapiens)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
5 LEU A 386
VAL A 431
SER A 432
ALA A 450
ALA A 458
None
1.13A 3mdtB-5jpnA:
undetectable
3mdtB-5jpnA:
22.19
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.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5


(Candida
albicans)
PF00080
(Sod_Cu)
5 PHE A  48
VAL A  60
SER A  59
ILE A 135
ALA A 115
None
1.07A 3mdtB-5kbmA:
undetectable
3mdtB-5kbmA:
17.54
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.
5l7n PLEXIN-A1

(Mus musculus)
PF01833
(TIG)
5 PHE A 954
VAL A 957
ILE A 922
ALA A 986
ALA A1031
None
1.07A 3mdtB-5l7nA:
undetectable
3mdtB-5l7nA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lug SPINDLIN-LIKE
PROTEIN 2, ISOFORM
CRA_A


(Homo sapiens)
PF02513
(Spin-Ssty)
5 TYR A 181
LEU A 178
PHE A 162
ILE A 119
ALA A 122
None
0.97A 3mdtB-5lugA:
undetectable
3mdtB-5lugA:
19.52
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.
5mz8 ALDEHYDE
DEHYDROGENASE 21


(Physcomitrella
patens)
PF00171
(Aldedh)
5 LEU A  86
ILE A 185
ALA A 178
ALA A 479
ALA A 184
None
1.08A 3mdtB-5mz8A:
undetectable
3mdtB-5mz8A:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz8 ALDEHYDE
DEHYDROGENASE 21


(Physcomitrella
patens)
PF00171
(Aldedh)
5 LEU A  86
PHE A 126
ILE A 185
ALA A 479
ALA A 184
None
0.96A 3mdtB-5mz8A:
undetectable
3mdtB-5mz8A:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oa3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D


(Homo sapiens)
no annotation 5 TYR 0  64
LEU 0  72
ALA 0  24
ALA 0  29
THR 0  28
None
1.05A 3mdtB-5oa30:
undetectable
3mdtB-5oa30:
23.04
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.
5unq PUTATIVE TAUTOMERASE

(Pusillimonas
sp. T7-7)
no annotation 5 LEU A 102
VAL A   3
ILE A  80
THR A  86
ALA A  26
None
1.08A 3mdtB-5unqA:
undetectable
3mdtB-5unqA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E


(Staphylococcus
aureus)
no annotation 5 VAL A  98
ILE A  32
ALA A 273
ALA A  22
THR A  26
None
1.03A 3mdtB-5xoeA:
undetectable
3mdtB-5xoeA:
10.38
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.
5xse KHG/KDPG ALDOLASE

(Zymomonas
mobilis)
no annotation 5 VAL A  42
ILE A 192
ALA A  25
ALA A  62
ALA A  31
None
1.06A 3mdtB-5xseA:
undetectable
3mdtB-5xseA:
11.16
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.
5zc3 -

(-)
no annotation 5 LEU B 419
ILE B 407
ALA B 436
ALA B 442
THR B 441
None
1.01A 3mdtB-5zc3B:
undetectable
3mdtB-5zc3B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE


(Acinetobacter
baumannii)
no annotation 5 TYR A  56
VAL A  94
ILE A 115
ALA A  60
THR A  98
None
1.12A 3mdtB-6bngA:
undetectable
3mdtB-6bngA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fv5 QUEUINE
TRNA-RIBOSYLTRANSFER
ASE ACCESSORY
SUBUNIT 2


(Mus musculus)
no annotation 5 LEU A 219
PHE A 222
ILE A 193
ALA A 241
ALA A 206
None
1.08A 3mdtB-6fv5A:
undetectable
3mdtB-6fv5A:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5


(Mus musculus)
no annotation 5 VAL L  92
SER L  91
ILE L 472
ALA L 464
THR L 387
None
1.13A 3mdtB-6g2jL:
undetectable
3mdtB-6g2jL:
11.14