SIMILAR PATTERNS OF AMINO ACIDS FOR 3ME6_B_CGEB501_1

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.
1bk6 KARYOPHERIN ALPHA

(Saccharomyces
cerevisiae)
PF00514
(Arm)
PF16186
(Arm_3)
4 ILE A 368
ALA A 340
VAL A 323
VAL A 327
None
0.90A 3me6B-1bk6A:
undetectable
3me6B-1bk6A:
22.49
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.
1dlj UDP-GLUCOSE
DEHYDROGENASE


(Streptococcus
pyogenes)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
4 PHE A 254
ILE A 331
ALA A 295
VAL A 312
None
0.91A 3me6B-1dljA:
0.0
3me6B-1dljA:
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE


(Paenarthrobacter
aurescens)
PF01979
(Amidohydro_1)
4 ILE A 236
ALA A 369
VAL A 144
VAL A 179
None
0.89A 3me6B-1gkrA:
0.0
3me6B-1gkrA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gmi PROTEIN KINASE C,
EPSILON TYPE


(Rattus rattus)
PF00168
(C2)
4 ILE A  10
ALA A  43
THR A  54
VAL A 127
None
0.90A 3me6B-1gmiA:
undetectable
3me6B-1gmiA:
15.34
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.
1i31 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50


(Rattus
norvegicus)
PF00928
(Adap_comp_sub)
4 ILE A 366
ALA A 350
THR A 326
VAL A 335
None
0.90A 3me6B-1i31A:
0.0
3me6B-1i31A:
20.93
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.
1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE


(Clostridium
beijerinckii)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 ILE A1164
ALA A1184
VAL A1172
VAL A1170
None
0.83A 3me6B-1jqbA:
0.0
3me6B-1jqbA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o66 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE


(Neisseria
meningitidis)
PF02548
(Pantoate_transf)
4 ILE A 136
ALA A 119
THR A 122
VAL A 176
None
0.86A 3me6B-1o66A:
0.0
3me6B-1o66A:
21.38
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.
1o6e CAPSID PROTEIN P40

(Human
gammaherpesvirus
4)
PF00716
(Peptidase_S21)
4 ILE A 142
ALA A 107
VAL A   7
VAL A   9
None
0.86A 3me6B-1o6eA:
undetectable
3me6B-1o6eA:
21.47
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.
1ukw ACYL-COA
DEHYDROGENASE


(Thermus
thermophilus)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 ILE A  73
ALA A 120
THR A 116
VAL A  68
None
0.85A 3me6B-1ukwA:
0.0
3me6B-1ukwA:
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.
1va8 MAGUK P55 SUBFAMILY
MEMBER 5


(Mus musculus)
PF00595
(PDZ)
4 ILE A  76
ALA A  61
VAL A  43
VAL A  73
None
0.84A 3me6B-1va8A:
undetectable
3me6B-1va8A:
14.62
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.
1wa5 IMPORTIN ALPHA
SUBUNIT


(Saccharomyces
cerevisiae)
PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3)
4 ILE B 368
ALA B 340
VAL B 323
VAL B 327
None
0.91A 3me6B-1wa5B:
undetectable
3me6B-1wa5B:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcj HYPOTHETICAL PROTEIN
TM0487


(Thermotoga
maritima)
PF01883
(FeS_assembly_P)
4 ILE A  72
ALA A  65
VAL A  46
VAL A  44
None
0.81A 3me6B-1wcjA:
undetectable
3me6B-1wcjA:
11.33
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.
1wdu TRAS1 ORF2P

(Bombyx mori)
PF14529
(Exo_endo_phos_2)
4 ILE A 140
PHE A 214
THR A 216
VAL A 143
None
0.83A 3me6B-1wduA:
undetectable
3me6B-1wduA:
19.16
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.
1z85 HYPOTHETICAL PROTEIN
TM1380


(Thermotoga
maritima)
PF04452
(Methyltrans_RNA)
4 PHE A   5
ILE A  35
PHE A  16
ALA A  21
None
0.81A 3me6B-1z85A:
undetectable
3me6B-1z85A:
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA


(Mycobacterium
tuberculosis)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
4 ILE A 212
ALA A 271
THR A 274
VAL A 168
None
0.71A 3me6B-1zj9A:
undetectable
3me6B-1zj9A:
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.
2bp5 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50


(Rattus
norvegicus)
PF00928
(Adap_comp_sub)
4 ILE M 366
ALA M 350
THR M 326
VAL M 335
None
0.84A 3me6B-2bp5M:
undetectable
3me6B-2bp5M:
20.57
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.
2dfe RIBONUCLEASE HII

(Thermococcus
kodakarensis)
PF01351
(RNase_HII)
4 PHE A  53
ILE A  56
ALA A 148
THR A 151
None
0.86A 3me6B-2dfeA:
undetectable
3me6B-2dfeA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ebn ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1


(Elizabethkingia
meningoseptica)
PF00704
(Glyco_hydro_18)
4 ILE A  91
PHE A 111
ALA A 112
VAL A 168
None
0.83A 3me6B-2ebnA:
undetectable
3me6B-2ebnA:
20.25
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.
2mzr PROTEIN HRB1

(Saccharomyces
cerevisiae)
PF00076
(RRM_1)
4 ILE A 230
ALA A 216
VAL A 205
VAL A 165
None
0.65A 3me6B-2mzrA:
undetectable
3me6B-2mzrA:
11.28
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.
2okj GLUTAMATE
DECARBOXYLASE 1


(Homo sapiens)
PF00282
(Pyridoxal_deC)
4 PHE A 324
ILE A 319
ALA A 360
VAL A 372
None
0.90A 3me6B-2okjA:
undetectable
3me6B-2okjA:
23.02
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.
2pz8 NH(3)-DEPENDENT
NAD(+) SYNTHETASE


(Bacillus
anthracis)
PF02540
(NAD_synthase)
4 ILE A  76
ALA A 146
THR A 143
VAL A 104
None
0.85A 3me6B-2pz8A:
undetectable
3me6B-2pz8A:
20.45
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.
2qpm CYTOKININ
DEHYDROGENASE 1


(Zea mays)
PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind)
4 PHE A 292
ALA A 302
THR A 304
VAL A 255
None
0.85A 3me6B-2qpmA:
undetectable
3me6B-2qpmA:
22.71
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.
2qu7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR


(Staphylococcus
saprophyticus)
PF13407
(Peripla_BP_4)
4 ILE A 216
ALA A 166
THR A 170
VAL A 211
None
0.91A 3me6B-2qu7A:
undetectable
3me6B-2qu7A:
22.09
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei)
PF00686
(CBM_20)
PF00723
(Glyco_hydro_15)
4 PHE A 354
ILE A 345
ALA A 380
VAL A 362
None
0.90A 3me6B-2vn7A:
undetectable
3me6B-2vn7A:
20.60
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.
2x8a NUCLEAR
VALOSIN-CONTAINING
PROTEIN-LIKE


(Homo sapiens)
PF00004
(AAA)
4 ILE A 779
PHE A 832
VAL A 823
VAL A 774
None
0.78A 3me6B-2x8aA:
undetectable
3me6B-2x8aA:
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
4 PHE A1320
THR A1299
VAL A1270
VAL A1265
None
0.76A 3me6B-2xkkA:
undetectable
3me6B-2xkkA:
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.
2xpz LEUKOTRIENE A-4
HYDROLASE


(Saccharomyces
cerevisiae)
PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C)
4 PHE A 452
ILE A 453
THR A 473
VAL A 351
None
0.91A 3me6B-2xpzA:
undetectable
3me6B-2xpzA:
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.
3a9c TRANSLATION
INITIATION FACTOR
EIF-2B, DELTA
SUBUNIT


(Thermococcus
kodakarensis)
PF01008
(IF-2B)
4 PHE A 279
ILE A 251
ALA A 201
VAL A  67
None
0.69A 3me6B-3a9cA:
undetectable
3me6B-3a9cA:
20.66
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.
3a9s D-ARABINOSE
ISOMERASE


(Aeribacillus
pallidus)
PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2)
4 PHE A 454
ILE A 535
THR A 360
VAL A 462
None
0.80A 3me6B-3a9sA:
undetectable
3me6B-3a9sA:
23.36
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II


(Streptomyces
avermitilis)
PF04616
(Glyco_hydro_43)
PF05270
(AbfB)
4 PHE A  33
ILE A  23
ALA A  55
VAL A 275
None
0.78A 3me6B-3akfA:
undetectable
3me6B-3akfA:
22.12
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.
3b77 UNCHARACTERIZED
PROTEIN


(Exiguobacterium
sibiricum)
PF08000
(bPH_1)
PF11724
(YvbH_ext)
4 PHE A  89
ILE A 101
VAL A  18
VAL A 114
None
0.79A 3me6B-3b77A:
undetectable
3me6B-3b77A:
19.32
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.
3c3p METHYLTRANSFERASE

(Geobacter
sulfurreducens)
PF01596
(Methyltransf_3)
4 PHE A 130
ILE A 156
PHE A  73
VAL A 202
None
0.90A 3me6B-3c3pA:
undetectable
3me6B-3c3pA:
20.34
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.
3c87 ENTEROCHELIN
ESTERASE


(Shigella
flexneri)
PF00756
(Esterase)
PF11806
(DUF3327)
4 PHE A 184
ALA A 227
THR A 186
VAL A 211
None
0.91A 3me6B-3c87A:
undetectable
3me6B-3c87A:
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.
3cne PUTATIVE PROTEASE I

(Bacteroides
thetaiotaomicron)
PF01965
(DJ-1_PfpI)
4 PHE A 117
ILE A  97
ALA A 112
VAL A  10
None
None
ZN  A 301 (-4.1A)
None
0.75A 3me6B-3cneA:
undetectable
3me6B-3cneA:
18.26
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.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6


(Homo sapiens)
PF00012
(HSP70)
4 ILE A 214
ALA A 180
VAL A 337
VAL A 197
None
0.82A 3me6B-3fe1A:
undetectable
3me6B-3fe1A:
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.
3fsr NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE


(Clostridium
beijerinckii;
Thermoanaerobacter
brockii)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 ILE A 164
ALA A 184
VAL A 172
VAL A 170
None
0.84A 3me6B-3fsrA:
undetectable
3me6B-3fsrA:
20.83
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
4 ILE A  99
ALA A 108
THR A 106
VAL A  73
None
0.87A 3me6B-3gdeA:
undetectable
3me6B-3gdeA:
21.00
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.
3gl1 HEAT SHOCK PROTEIN
SSB1


(Saccharomyces
cerevisiae)
PF00012
(HSP70)
4 ILE A 215
ALA A 180
VAL A 338
VAL A 198
None
0.81A 3me6B-3gl1A:
undetectable
3me6B-3gl1A:
21.46
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.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN


(Klebsiella
pneumoniae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ILE A 266
ALA A 259
VAL A 298
VAL A 276
None
0.79A 3me6B-3io1A:
undetectable
3me6B-3io1A:
21.34
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.
3k11 PUTATIVE GLYCOSYL
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF07470
(Glyco_hydro_88)
4 ILE A  56
THR A 107
VAL A 391
VAL A  59
None
0.91A 3me6B-3k11A:
undetectable
3me6B-3k11A:
21.77
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE


(Babesia bovis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
4 ILE A  34
PHE A 181
THR A 171
VAL A 177
None
0.82A 3me6B-3kjrA:
undetectable
3me6B-3kjrA:
22.46
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.
3ksc LEGA CLASS

(Pisum sativum)
PF00190
(Cupin_1)
4 PHE A  71
ILE A 119
PHE A 435
ALA A 434
None
0.89A 3me6B-3kscA:
undetectable
3me6B-3kscA:
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.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C


(Saccharomyces
cerevisiae)
PF00106
(adh_short)
4 ILE A  79
ALA A  84
THR A   8
VAL A  69
None
0.84A 3me6B-3kzvA:
undetectable
3me6B-3kzvA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkl ANTISIGMA-FACTOR
ANTAGONIST STAS


(Rhodobacter
sphaeroides)
PF01740
(STAS)
4 PHE A  36
ILE A  45
ALA A  60
VAL A  18
None
0.91A 3me6B-3lklA:
undetectable
3me6B-3lklA:
13.16
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA


(Archaeoglobus
fulgidus)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
4 ILE A 340
PHE A 232
ALA A 233
VAL A 333
None
0.88A 3me6B-3mm5A:
undetectable
3me6B-3mm5A:
23.54
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1


(Mycolicibacterium
smegmatis)
PF02682
(CT_C_D)
4 ILE B  89
ALA B 196
VAL B 123
VAL B 204
None
0.77A 3me6B-3mmlB:
undetectable
3me6B-3mmlB:
18.80
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2


(Mycolicibacterium
smegmatis)
PF02626
(CT_A_B)
4 PHE A  63
ILE A  74
THR A   3
VAL A  98
None
0.83A 3me6B-3mmlA:
undetectable
3me6B-3mmlA:
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.
3ot4 PUTATIVE
ISOCHORISMATASE


(Bordetella
bronchiseptica)
PF00857
(Isochorismatase)
4 ALA A  48
THR A  52
VAL A 151
VAL A 167
None
None
CSO  A 150 ( 3.4A)
None
0.82A 3me6B-3ot4A:
undetectable
3me6B-3ot4A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oy2 GLYCOSYLTRANSFERASE
B736L


(Paramecium
bursaria
Chlorella virus
NY2A)
no annotation 4 PHE A 209
ALA A 206
VAL A 278
VAL A 276
None
0.79A 3me6B-3oy2A:
undetectable
3me6B-3oy2A:
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.
3pi7 NADH OXIDOREDUCTASE

(Mesorhizobium
loti)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 ILE A 181
ALA A 202
VAL A 195
VAL A 193
None
0.90A 3me6B-3pi7A:
undetectable
3me6B-3pi7A:
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.
3plr UDP-GLUCOSE
6-DEHYDROGENASE


(Klebsiella
pneumoniae)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
4 PHE A 247
ILE A 318
ALA A 288
VAL A 299
None
0.88A 3me6B-3plrA:
undetectable
3me6B-3plrA:
24.39
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.
3pxg NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB


(Bacillus
subtilis)
PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
4 PHE A 277
ILE A 312
ALA A 216
VAL A 339
None
0.90A 3me6B-3pxgA:
undetectable
3me6B-3pxgA:
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.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB


(Bacillus
subtilis)
PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small)
4 PHE A 277
ILE A 312
ALA A 216
VAL A 339
None
0.90A 3me6B-3pxiA:
undetectable
3me6B-3pxiA:
20.96
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.
3qsj NUDIX HYDROLASE

(Alicyclobacillus
acidocaldarius)
PF00293
(NUDIX)
4 ILE A 136
ALA A   8
THR A 151
VAL A 200
None
0.91A 3me6B-3qsjA:
undetectable
3me6B-3qsjA:
20.51
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.
3sno HYPOTHETICAL
AMINOTRANSFERASE


(Corynebacterium
glutamicum)
PF01063
(Aminotran_4)
4 PHE A 250
ILE A 231
ALA A 248
VAL A 224
None
0.91A 3me6B-3snoA:
undetectable
3me6B-3snoA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sno HYPOTHETICAL
AMINOTRANSFERASE


(Corynebacterium
glutamicum)
PF01063
(Aminotran_4)
4 PHE A 250
ILE A 231
ALA A 248
VAL A 279
None
0.87A 3me6B-3snoA:
undetectable
3me6B-3snoA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus)
PF00067
(p450)
6 PHE A 108
ILE A 209
ALA A 298
THR A 302
VAL A 367
VAL A 477
None
None
CPZ  A 501 (-3.5A)
CPZ  A 501 ( 3.7A)
HEM  A 500 ( 4.3A)
None
0.46A 3me6B-3tk3A:
62.9
3me6B-3tk3A:
99.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vgp TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE,
PUTATIVE


(Archaeoglobus
fulgidus)
no annotation 4 PHE A 532
ALA A 493
THR A 497
VAL A 543
None
0.89A 3me6B-3vgpA:
undetectable
3me6B-3vgpA:
16.81
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis)
PF00753
(Lactamase_B)
PF07521
(RMMBL)
5 PHE A 219
ILE A 218
PHE A 228
THR A 294
VAL A 222
None
1.48A 3me6B-3zq4A:
undetectable
3me6B-3zq4A:
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.
4btg MAJOR INNER PROTEIN
P1


(Pseudomonas
virus phi6)
no annotation 4 PHE A 331
ILE A 322
ALA A 192
VAL A 250
None
0.89A 3me6B-4btgA:
undetectable
3me6B-4btgA:
21.38
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae)
PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2)
4 PHE A 447
ILE A 528
THR A 353
VAL A 455
None
0.86A 3me6B-4c22A:
undetectable
3me6B-4c22A:
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.
4f1k THROMBOSPONDIN
RELATED ANONYMOUS
PROTEIN


(Plasmodium
falciparum)
PF00092
(VWA)
4 ILE A 159
PHE A  93
ALA A  97
VAL A 157
None
0.70A 3me6B-4f1kA:
undetectable
3me6B-4f1kA:
17.62
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.
4fkm SIMILAR TO FERRIC
HYDROXAMATE RECEPTOR
1


(Staphylococcus
aureus)
PF01497
(Peripla_BP_2)
4 PHE A 208
PHE A 288
VAL A 271
VAL A 273
None
None
MLY  A 272 ( 3.1A)
MLY  A 272 ( 2.8A)
0.90A 3me6B-4fkmA:
undetectable
3me6B-4fkmA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN


(Homo sapiens)
PF00012
(HSP70)
4 ILE A 212
ALA A 178
VAL A 335
VAL A 195
None
0.80A 3me6B-4hwiA:
undetectable
3me6B-4hwiA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzb PUTATIVE PERIPLASMIC
PROTEIN


(Ralstonia
pickettii)
PF12883
(DUF3828)
4 ILE B 102
ALA B  35
VAL B 130
VAL B 118
None
0.90A 3me6B-4hzbB:
undetectable
3me6B-4hzbB:
14.96
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.
4jb7 ACCESSORY
COLONIZATION FACTOR
ACFC


(Vibrio cholerae)
PF13531
(SBP_bac_11)
4 PHE A 249
ILE A  55
PHE A  75
VAL A  53
None
TRS  A 302 (-4.3A)
None
None
0.82A 3me6B-4jb7A:
undetectable
3me6B-4jb7A:
19.35
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.
4lcb CELL DIVISION
PROTEIN CDVC, VPS4


(Acidianus
hospitalis)
PF00004
(AAA)
PF09336
(Vps4_C)
4 PHE A  96
ILE A  99
ALA A 145
VAL A 264
None
0.82A 3me6B-4lcbA:
undetectable
3me6B-4lcbA:
20.84
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.
4pe6 PUTATIVE ABC
TRANSPORTER


(Thermobispora
bispora)
PF13407
(Peripla_BP_4)
4 ILE A 179
PHE A 252
ALA A 249
VAL A 181
None
0.87A 3me6B-4pe6A:
undetectable
3me6B-4pe6A:
22.09
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.
4tvi AMINOTRANSFERASE,
CLASS IV


(Brucella
abortus)
PF01063
(Aminotran_4)
4 ILE A 256
ALA A 262
VAL A 212
VAL A 204
None
0.84A 3me6B-4tviA:
undetectable
3me6B-4tviA:
21.98
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.
4whb PHENYLUREA HYDROLASE
B


(Mycolicibacterium
brisbanense)
no annotation 4 ILE E   6
PHE E 439
VAL E 410
VAL E  25
None
0.92A 3me6B-4whbE:
undetectable
3me6B-4whbE:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z3y BENZOYL-COA
REDUCTASE, PUTATIVE


(Geobacter
metallireducens)
PF01314
(AFOR_C)
PF02730
(AFOR_N)
4 ALA A  64
THR A  78
VAL A 203
VAL A 201
None
0.79A 3me6B-4z3yA:
undetectable
3me6B-4z3yA:
21.59
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.
4zd6 HALOHYDRIN EPOXIDASE
B


(Corynebacterium
sp.)
PF13561
(adh_short_C2)
4 ILE A  58
ALA A  63
THR A  14
VAL A  52
None
0.87A 3me6B-4zd6A:
undetectable
3me6B-4zd6A:
17.71
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.
4zju ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]


(Acinetobacter
baumannii)
PF13561
(adh_short_C2)
4 PHE A  63
ALA A  76
VAL A  90
VAL A  87
None
0.90A 3me6B-4zjuA:
undetectable
3me6B-4zjuA:
21.47
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus)
PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N)
4 PHE A 203
ILE A 219
PHE A 326
VAL A 344
None
0.74A 3me6B-4zr5A:
undetectable
3me6B-4zr5A:
19.89
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.
4zxs VIRION EGRESS
PROTEIN UL34


(Human
alphaherpesvirus
1)
PF04541
(Herpes_U34)
4 ILE A  87
PHE A 166
ALA A 165
VAL A  94
None
0.72A 3me6B-4zxsA:
undetectable
3me6B-4zxsA:
17.93
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED


(Cupriavidus
metallidurans)
PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK)
4 PHE A 822
ILE A 842
PHE A 800
VAL A 955
None
0.84A 3me6B-5cjuA:
undetectable
3me6B-5cjuA:
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.
5ewq AMIDASE

(Bacillus
anthracis)
PF01425
(Amidase)
4 ALA A 172
THR A 150
VAL A 244
VAL A 142
None
0.73A 3me6B-5ewqA:
undetectable
3me6B-5ewqA:
20.61
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.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2


(Homo sapiens)
PF00012
(HSP70)
4 ILE A 214
ALA A 178
VAL A 337
VAL A 197
None
0.71A 3me6B-5fpnA:
undetectable
3me6B-5fpnA:
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.
5g39 PHOTOSYSTEM II
MANGANESE-STABILIZIN
G POLYPEPTIDE


(Thermosynechococcus
elongatus)
PF01716
(MSP)
4 PHE A 183
ILE A  40
PHE A 135
VAL A 115
None
0.91A 3me6B-5g39A:
undetectable
3me6B-5g39A:
18.81
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.
5h7t CLASS IV CHITINASE

(Cryptomeria
japonica)
no annotation 4 PHE A 161
ILE A 168
ALA A  64
THR A  67
None
0.90A 3me6B-5h7tA:
undetectable
3me6B-5h7tA:
16.46
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.
5i33 ADENYLOSUCCINATE
SYNTHETASE


(Cryptococcus
neoformans)
PF00709
(Adenylsucc_synt)
4 ILE A 406
ALA A 399
VAL A 417
VAL A 414
None
0.75A 3me6B-5i33A:
undetectable
3me6B-5i33A:
24.51
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.
5ifg MRNA INTERFERASE
HIGB


(Escherichia
coli)
PF09907
(HigB_toxin)
4 ILE A  82
ALA A  13
VAL A  62
VAL A  69
None
0.85A 3me6B-5ifgA:
undetectable
3me6B-5ifgA:
13.77
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.
5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL


(Rhodoferax
ferrireducens)
PF03480
(DctP)
4 ILE A 261
ALA A 142
THR A 269
VAL A  53
None
0.89A 3me6B-5im2A:
undetectable
3me6B-5im2A:
23.88
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum)
PF00850
(Hist_deacetyl)
4 PHE A 238
ILE A 159
ALA A 101
THR A 105
None
0.88A 3me6B-5ji5A:
undetectable
3me6B-5ji5A:
19.84
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE


(Mycolicibacterium
smegmatis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 ILE A  92
ALA A  83
VAL A 147
VAL A  98
None
0.92A 3me6B-5keiA:
undetectable
3me6B-5keiA:
22.17
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.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY


(Sinorhizobium
meliloti)
PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind)
4 ILE A  56
ALA A  84
THR A  87
VAL A 114
None
0.80A 3me6B-5l0zA:
undetectable
3me6B-5l0zA:
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.
5lii MAJOR CAPSID PROTEIN

(Staphylococcus
phage 812)
no annotation 4 PHE P 255
ALA P 203
VAL P 404
VAL P 458
None
0.86A 3me6B-5liiP:
undetectable
3me6B-5liiP:
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.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE


(Weissella
cibaria)
PF04616
(Glyco_hydro_43)
4 PHE A  28
ILE A  18
ALA A  50
VAL A 279
None
0.88A 3me6B-5m8eA:
undetectable
3me6B-5m8eA:
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.
5tj3 ALKALINE PHOSPHATASE
PAFA


(Elizabethkingia
meningoseptica)
PF01663
(Phosphodiest)
4 ILE A  86
PHE A 348
THR A 522
VAL A  70
None
0.70A 3me6B-5tj3A:
undetectable
3me6B-5tj3A:
22.82
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.
5v7q 50S RIBOSOMAL
PROTEIN L4


(Mycobacterium
tuberculosis)
PF00573
(Ribosomal_L4)
4 ALA E 152
THR E 155
VAL E 181
VAL E 162
None
0.83A 3me6B-5v7qE:
undetectable
3me6B-5v7qE:
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.
5vft 26S PROTEASOME
REGULATORY SUBUNIT 8


(Homo sapiens)
no annotation 4 ILE C 161
ALA C 204
THR C 207
VAL C 164
None
0.73A 3me6B-5vftC:
undetectable
3me6B-5vftC:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens)
no annotation 8 PHE A 108
PHE A 206
ILE A 209
PHE A 297
ALA A 298
THR A 302
VAL A 367
VAL A 477
9ZJ  A 502 (-4.4A)
9ZJ  A 502 (-2.6A)
9ZJ  A 502 ( 4.8A)
9ZJ  A 502 ( 4.5A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
9ZJ  A 502 ( 4.2A)
None
0.66A 3me6B-5wbgA:
59.3
3me6B-5wbgA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens)
no annotation 5 PHE A 115
PHE A 206
ILE A 209
PHE A 297
ALA A 298
9ZJ  A 502 (-4.7A)
9ZJ  A 502 (-2.6A)
9ZJ  A 502 ( 4.8A)
9ZJ  A 502 ( 4.5A)
9ZJ  A 502 ( 3.5A)
1.19A 3me6B-5wbgA:
59.3
3me6B-5wbgA:
86.25
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE


(Streptomyces
peucetius)
no annotation 4 PHE A 277
ILE A 282
ALA A 275
VAL A 325
None
None
AFY  A 401 (-3.6A)
None
0.70A 3me6B-5wgcA:
undetectable
3me6B-5wgcA:
11.29
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.
5wrk AP-2 COMPLEX SUBUNIT
MU


(Rattus
norvegicus)
no annotation 4 ILE A 366
ALA A 350
THR A 326
VAL A 335
None
0.84A 3me6B-5wrkA:
undetectable
3me6B-5wrkA:
9.76
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.
5x8t PROTEIN L27

(Spinacia
oleracea)
PF01016
(Ribosomal_L27)
4 ILE X  94
ALA X  91
VAL X 123
VAL X 135
None
A  A2371 ( 4.3A)
None
None
0.86A 3me6B-5x8tX:
undetectable
3me6B-5x8tX:
14.78
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens)
PF00067
(p450)
4 PHE A 324
ILE A 311
ALA A 305
VAL A 314
None
0.80A 3me6B-5y1iA:
31.3
3me6B-5y1iA:
25.05
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.
5yh1 -

(-)
no annotation 4 PHE A 396
ILE A 357
ALA A 377
VAL A 433
None
0.80A 3me6B-5yh1A:
undetectable
3me6B-5yh1A:
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.
6dw1 -

(-)
no annotation 4 ILE E  47
ALA E 134
THR E 132
VAL E  44
None
0.82A 3me6B-6dw1E:
undetectable
3me6B-6dw1E:
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.
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)


(Homo sapiens)
no annotation 4 PHE A 400
ALA A 397
VAL A 463
VAL A 459
None
0.89A 3me6B-6gctA:
undetectable
3me6B-6gctA:
12.10