SIMILAR PATTERNS OF AMINO ACIDS FOR 5JWA_H_ACTH614_0

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.
1amk TRIOSE PHOSPHATE
ISOMERASE


(Leishmania
mexicana)
PF00121
(TIM)
4 ILE A  21
VAL A  41
VAL A  51
TRP A  12
None
0.86A 5jwaH-1amkA:
undetectable
5jwaH-1amkA:
17.99
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)


(Lactobacillus
sp. 30A)
PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C)
4 ILE A  56
VAL A  26
VAL A  36
SER A  28
None
0.94A 5jwaH-1c4kA:
undetectable
5jwaH-1c4kA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)


(Pseudomonas
fluorescens)
PF01494
(FAD_binding_3)
4 ILE A 381
VAL A 349
TYR A 201
TRP A 345
None
None
PHB  A 396 ( 4.6A)
None
0.90A 5jwaH-1cj2A:
4.5
5jwaH-1cj2A:
19.66
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)


(Escherichia
coli)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 VAL A 661
TYR A 697
VAL A 698
SER A 651
None
0.91A 5jwaH-1fcpA:
undetectable
5jwaH-1fcpA:
21.69
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.
1irx LYSYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF01921
(tRNA-synt_1f)
4 VAL A 207
TYR A 176
VAL A 175
SER A 211
None
0.94A 5jwaH-1irxA:
2.2
5jwaH-1irxA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jyh DNA GYRASE
INHIBITORY PROTEIN


(Escherichia
coli)
PF06445
(GyrI-like)
4 ILE A  42
VAL A  84
TRP A  36
SER A  81
None
0.96A 5jwaH-1jyhA:
undetectable
5jwaH-1jyhA:
14.01
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.
1k4q GLUTATHIONE
REDUCTASE


(Homo sapiens)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 ILE A 168
VAL A 193
VAL A 251
TRP A 287
None
0.92A 5jwaH-1k4qA:
24.3
5jwaH-1k4qA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7j PROTEIN YCIO

(Escherichia
coli)
PF01300
(Sua5_yciO_yrdC)
4 ILE A 160
VAL A 168
VAL A  31
SER A   2
None
1.00A 5jwaH-1k7jA:
undetectable
5jwaH-1k7jA:
18.27
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2


(Homo sapiens)
PF00084
(Sushi)
PF00089
(Trypsin)
4 ILE A 462
VAL A 517
VAL A 485
SER A 514
None
0.90A 5jwaH-1q3xA:
undetectable
5jwaH-1q3xA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qil TOXIC SHOCK SYNDROME
TOXIN-1


(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
4 ILE A  45
VAL A  62
VAL A  88
SER A  23
None
0.94A 5jwaH-1qilA:
undetectable
5jwaH-1qilA:
16.45
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.
1sgg EPHRIN TYPE-B
RECEPTOR 2


(Gallus gallus)
PF00536
(SAM_1)
4 ILE A  66
VAL A  13
VAL A  40
TRP A  16
None
0.96A 5jwaH-1sggA:
undetectable
5jwaH-1sggA:
10.76
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.
1tdt TETRAHYDRODIPICOLINA
TE-N-SUCCINYLTRANSFE
RASE


(Mycobacterium
bovis)
PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2)
4 ILE A 117
VAL A 146
TYR A 133
VAL A 134
None
0.75A 5jwaH-1tdtA:
undetectable
5jwaH-1tdtA:
19.77
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis)
PF00128
(Alpha-amylase)
4 ILE A 209
VAL A 256
VAL A 226
SER A 254
None
0.91A 5jwaH-1ua7A:
undetectable
5jwaH-1ua7A:
23.84
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.
1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1


(Homo sapiens)
PF03360
(Glyco_transf_43)
4 ILE A 253
VAL A 238
VAL A 216
TRP A 241
None
0.69A 5jwaH-1v84A:
undetectable
5jwaH-1v84A:
19.17
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER


(Saccharomyces
cerevisiae)
PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1)
4 ILE C 365
VAL C 476
TYR C 513
VAL C 511
None
0.75A 5jwaH-1wa5C:
undetectable
5jwaH-1wa5C:
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.
1xgy K42-41L FAB LIGHT
CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 ILE L  75
VAL L  13
VAL L  78
SER L  10
None
0.94A 5jwaH-1xgyL:
undetectable
5jwaH-1xgyL:
17.40
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.
1yhu HEMOGLOBIN A1 CHAIN

(Riftia
pachyptila)
PF00042
(Globin)
4 ILE A  76
VAL A 117
TYR A  20
TRP A 130
None
1.00A 5jwaH-1yhuA:
undetectable
5jwaH-1yhuA:
15.69
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.
1yr2 PROLYL
OLIGOPEPTIDASE


(Novosphingobium
capsulatum)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 ILE A 685
TYR A 669
TRP A  77
SER A  43
None
0.94A 5jwaH-1yr2A:
undetectable
5jwaH-1yr2A:
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE


(Thermotoga
maritima)
PF00294
(PfkB)
4 ILE A 198
VAL A 237
TYR A 232
VAL A 228
None
0.94A 5jwaH-2afbA:
undetectable
5jwaH-2afbA:
22.68
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.
2d0j GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 2


(Homo sapiens)
PF03360
(Glyco_transf_43)
4 ILE A 242
VAL A 227
VAL A 206
TRP A 230
None
0.74A 5jwaH-2d0jA:
undetectable
5jwaH-2d0jA:
16.92
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.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 ILE A  78
VAL A  55
VAL A 168
SER A  15
None
0.95A 5jwaH-2d4wA:
undetectable
5jwaH-2d4wA:
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.
2dlg FILAMIN-B

(Homo sapiens)
PF00630
(Filamin)
4 ILE A  25
VAL A  73
TYR A  75
SER A  83
None
0.95A 5jwaH-2dlgA:
undetectable
5jwaH-2dlgA:
10.79
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA


(Homo sapiens)
no annotation 4 ILE I 186
VAL I 253
TYR I 245
VAL I 242
None
0.99A 5jwaH-2gk1I:
undetectable
5jwaH-2gk1I:
21.02
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC


(Salmonella
enterica)
PF00291
(PALP)
4 ILE A 180
VAL A 261
VAL A 208
SER A 294
None
1.00A 5jwaH-2gn1A:
2.0
5jwaH-2gn1A:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
cruzi)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
4 ILE A 148
VAL A  75
TYR A 152
VAL A 151
None
0.99A 5jwaH-2h2qA:
undetectable
5jwaH-2h2qA:
21.32
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.
2i9e TRIOSEPHOSPHATE
ISOMERASE


(Tenebrio
molitor)
PF00121
(TIM)
4 ILE A  20
VAL A  40
VAL A  50
TRP A  11
None
0.88A 5jwaH-2i9eA:
undetectable
5jwaH-2i9eA:
17.87
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.
2i9e TRIOSEPHOSPHATE
ISOMERASE


(Tenebrio
molitor)
PF00121
(TIM)
4 ILE A  24
VAL A  42
VAL A  50
TRP A  11
None
0.90A 5jwaH-2i9eA:
undetectable
5jwaH-2i9eA:
17.87
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.
2ixo SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 1


(Saccharomyces
cerevisiae)
PF03095
(PTPA)
4 ILE A 233
VAL A 283
TYR A 212
TRP A 280
None
0.98A 5jwaH-2ixoA:
undetectable
5jwaH-2ixoA:
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.
2k32 A

(Campylobacter
jejuni)
PF13533
(Biotin_lipoyl_2)
4 ILE A  32
VAL A  83
TYR A  88
VAL A  89
None
0.86A 5jwaH-2k32A:
undetectable
5jwaH-2k32A:
12.86
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.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE


(Ruegeria sp.
TM1040)
PF07859
(Abhydrolase_3)
4 ILE A 245
TYR A  19
TRP A  81
SER A  80
None
0.97A 5jwaH-2pblA:
undetectable
5jwaH-2pblA:
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum)
PF05368
(NmrA)
4 ILE A  58
VAL A  24
TYR A  35
VAL A  36
None
0.95A 5jwaH-2qw8A:
6.2
5jwaH-2qw8A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdv MYC-INDUCED NUCLEAR
ANTIGEN


(Homo sapiens)
PF08007
(Cupin_4)
4 ILE A 462
VAL A 438
VAL A 453
SER A 362
None
0.95A 5jwaH-2xdvA:
undetectable
5jwaH-2xdvA:
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.
2y0s RNA POLYMERASE
SUBUNIT 4


(Sulfolobus
shibatae)
PF00575
(S1)
PF03876
(SHS2_Rpb7-N)
5 ILE E  13
VAL E  70
TYR E  67
VAL E  11
SER E  54
None
1.18A 5jwaH-2y0sE:
undetectable
5jwaH-2y0sE:
15.97
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.
2z2x TK-SUBTILISIN

(Thermococcus
kodakarensis)
PF00082
(Peptidase_S8)
4 ILE A 280
VAL A 387
TYR A 384
VAL A 301
None
0.99A 5jwaH-2z2xA:
2.4
5jwaH-2z2xA:
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.
3cdh TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY


(Ruegeria
pomeroyi)
PF01047
(MarR)
4 ILE A  57
VAL A  45
VAL A  75
SER A  64
None
0.80A 5jwaH-3cdhA:
undetectable
5jwaH-3cdhA:
14.03
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.
3ck2 CONSERVED
UNCHARACTERIZED
PROTEIN (PREDICTED
PHOSPHOESTERASE
COG0622)


(Streptococcus
pneumoniae)
PF12850
(Metallophos_2)
4 ILE A  51
VAL A  19
TRP A  48
SER A  45
None
0.95A 5jwaH-3ck2A:
undetectable
5jwaH-3ck2A:
17.42
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.
3d4o DIPICOLINATE
SYNTHASE SUBUNIT A


(Bacillus
halodurans)
PF01262
(AlaDh_PNT_C)
PF16924
(DpaA_N)
4 ILE A  61
VAL A  53
VAL A   8
TRP A  55
None
1.00A 5jwaH-3d4oA:
3.4
5jwaH-3d4oA:
19.85
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.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E


(Brucella suis)
PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2)
4 ILE A 124
VAL A 153
TYR A 140
VAL A 141
None
0.75A 5jwaH-3eg4A:
undetectable
5jwaH-3eg4A:
20.31
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.
3hr8 PROTEIN RECA

(Thermotoga
maritima)
PF00154
(RecA)
4 ILE A  63
VAL A 135
VAL A 191
SER A 187
None
0.99A 5jwaH-3hr8A:
undetectable
5jwaH-3hr8A:
20.71
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT


(Eubacterium
barkeri)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
4 ILE A 150
TYR A 341
VAL A 340
SER A 141
None
0.87A 5jwaH-3hrdA:
undetectable
5jwaH-3hrdA:
20.63
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.
3hrw HEMOGLOBIN SUBUNIT
BETA-1


(Mus musculus)
PF00042
(Globin)
4 ILE B  68
VAL B  18
VAL B  23
TRP B  15
None
0.94A 5jwaH-3hrwB:
undetectable
5jwaH-3hrwB:
14.89
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia)
PF01759
(NTR)
PF07677
(A2M_recep)
4 ILE C1360
TYR C1437
VAL C1436
SER C1355
None
0.99A 5jwaH-3hs0C:
undetectable
5jwaH-3hs0C:
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.
3htx HEN1

(Arabidopsis
thaliana)
PF13847
(Methyltransf_31)
4 ILE A 561
VAL A 615
VAL A 559
SER A 619
None
0.91A 5jwaH-3htxA:
2.9
5jwaH-3htxA:
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.
3hum PENICILLIN-BINDING
PROTEIN 4


(Staphylococcus
aureus)
PF00768
(Peptidase_S11)
PF09211
(DUF1958)
4 ILE A  67
VAL A  55
TYR A  63
VAL A  53
None
0.96A 5jwaH-3humA:
undetectable
5jwaH-3humA:
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.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE


(Ruegeria
pomeroyi)
PF12692
(Methyltransf_17)
4 ILE A  33
VAL A  43
VAL A  61
SER A 107
None
0.99A 5jwaH-3ihtA:
3.1
5jwaH-3ihtA:
14.12
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.
3jz4 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
[NADP+]


(Escherichia
coli)
PF00171
(Aldedh)
4 ILE A  74
VAL A 204
VAL A 200
TRP A  63
None
0.90A 5jwaH-3jz4A:
2.5
5jwaH-3jz4A:
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2


(Caenorhabditis
elegans)
PF00806
(PUF)
4 ILE A 228
VAL A 289
VAL A 247
SER A 293
None
0.81A 5jwaH-3k5zA:
undetectable
5jwaH-3k5zA:
21.18
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.
3kf8 PROTEIN STN1

(Candida
tropicalis)
PF10451
(Stn1)
4 ILE A  85
VAL A  77
VAL A  82
SER A  57
None
0.99A 5jwaH-3kf8A:
undetectable
5jwaH-3kf8A:
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia)
PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
4 ILE B1382
TYR B1459
VAL B1458
SER B1377
None
0.92A 5jwaH-3prxB:
undetectable
5jwaH-3prxB:
15.17
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.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE


(Lactobacillus
acidophilus)
PF00171
(Aldedh)
4 ILE A 378
VAL A 392
VAL A 403
SER A 390
None
0.73A 5jwaH-3rosA:
2.5
5jwaH-3rosA:
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.
3tk8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E


(Burkholderia
pseudomallei)
PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2)
4 ILE A 156
VAL A 185
TYR A 172
VAL A 173
None
0.69A 5jwaH-3tk8A:
undetectable
5jwaH-3tk8A:
20.38
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.
3vsc PROTEIN CYSO

(Aeropyrum
pernix)
PF00291
(PALP)
4 ILE A 280
TYR A 363
VAL A 256
SER A 246
None
0.94A 5jwaH-3vscA:
2.3
5jwaH-3vscA:
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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum)
PF13229
(Beta_helix)
4 ILE A 183
VAL A 197
VAL A 126
TRP A  82
None
0.97A 5jwaH-3vsvA:
undetectable
5jwaH-3vsvA:
22.65
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.
3wmx NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E


(Cupriavidus
necator)
PF01370
(Epimerase)
4 ILE A  70
TYR A  74
VAL A  73
SER A  37
None
0.83A 5jwaH-3wmxA:
4.6
5jwaH-3wmxA:
20.31
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.
4c3o HYDROGENASE-1 SMALL
SUBUNIT


(Salmonella
enterica)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
4 ILE B 160
VAL B 146
VAL B 159
TRP B 112
None
0.98A 5jwaH-4c3oB:
2.7
5jwaH-4c3oB:
18.20
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.
4cvc ALCOHOL
DEHYDROGENASE


(Pseudogluconobacter
saccharoketogenes)
PF13360
(PQQ_2)
4 ILE A  84
TYR A 569
VAL A 570
SER A  79
None
0.94A 5jwaH-4cvcA:
undetectable
5jwaH-4cvcA:
21.28
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.
4dqa UNCHARACTERIZED
PROTEIN


(Bacteroides
ovatus)
PF08522
(DUF1735)
PF13385
(Laminin_G_3)
4 ILE A 108
VAL A 140
TYR A  35
VAL A  34
None
0.97A 5jwaH-4dqaA:
undetectable
5jwaH-4dqaA:
22.79
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.
4dza LYSINE RACEMASE

(Proteus
mirabilis)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 ILE A 201
VAL A 178
VAL A 227
SER A 168
None
0.73A 5jwaH-4dzaA:
undetectable
5jwaH-4dzaA:
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.
4elx 1,4-DIHYDROXY-2-NAPH
THOYL-COA SYNTHASE


(Escherichia
coli)
PF00378
(ECH_1)
5 ILE A  73
VAL A  13
VAL A 215
TRP A  15
SER A  30
None
1.45A 5jwaH-4elxA:
undetectable
5jwaH-4elxA:
19.00
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.
4eqb SPERMIDINE/PUTRESCIN
E ABC SUPERFAMILY
ATP BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN


(Streptococcus
pneumoniae)
PF13416
(SBP_bac_8)
4 ILE A 143
VAL A 233
TRP A 157
SER A 258
None
0.94A 5jwaH-4eqbA:
undetectable
5jwaH-4eqbA:
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.
4fbl LIPS LIPOLYTIC
ENZYME


(unidentified)
PF12146
(Hydrolase_4)
4 ILE A 238
VAL A 215
VAL A 133
SER A 244
None
0.83A 5jwaH-4fblA:
2.0
5jwaH-4fblA:
18.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE


(Saccharomyces
cerevisiae)
PF07992
(Pyr_redox_2)
4 ILE A 185
VAL A 234
VAL A 306
TRP A 337
ILE  A 185 ( 0.7A)
VAL  A 234 ( 0.6A)
VAL  A 306 ( 0.6A)
TRP  A 337 ( 0.5A)
0.28A 5jwaH-4g9kA:
48.4
5jwaH-4g9kA:
30.27
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.
4gl0 LMO0810 PROTEIN

(Listeria
monocytogenes)
PF13416
(SBP_bac_8)
4 ILE A 143
VAL A 234
TRP A 158
SER A 259
None
0.98A 5jwaH-4gl0A:
undetectable
5jwaH-4gl0A:
23.17
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.
4gnj TRIOSEPHOSPHATE
ISOMERASE


(Leishmania sp.
'siamensis')
PF00121
(TIM)
4 ILE A  22
VAL A  42
VAL A  52
TRP A  13
None
0.93A 5jwaH-4gnjA:
undetectable
5jwaH-4gnjA:
20.89
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.
4hl4 TBC1 DOMAIN FAMILY
MEMBER 20


(Homo sapiens)
PF00566
(RabGAP-TBC)
4 ILE A 130
VAL A 166
VAL A 150
SER A 170
None
0.96A 5jwaH-4hl4A:
undetectable
5jwaH-4hl4A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hvt POST-PROLINE
CLEAVING ENZYME


(Rickettsia
typhi)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 ILE A 418
VAL A 505
TYR A 468
VAL A 467
None
0.99A 5jwaH-4hvtA:
undetectable
5jwaH-4hvtA:
22.84
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE


(Trypanosoma
cruzi)
PF00185
(OTCace)
PF02729
(OTCace_N)
4 ILE A 167
VAL A 231
VAL A 195
SER A 235
None
0.89A 5jwaH-4iv5A:
3.2
5jwaH-4iv5A:
20.24
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.
4jb9 ANTIBODY VRC06 HEAVY
CHAIN


(Homo sapiens)
PF07654
(C1-set)
4 VAL H  93
TYR H  90
VAL H  37
TRP H 103
None
0.99A 5jwaH-4jb9H:
undetectable
5jwaH-4jb9H:
17.52
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF


(Pseudomonas
putida)
PF00171
(Aldedh)
4 ILE A 397
VAL A 411
VAL A 422
SER A 409
None
0.85A 5jwaH-4jz6A:
undetectable
5jwaH-4jz6A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lot COMPLEMENT C1S
SUBCOMPONENT HEAVY
CHAIN


(Homo sapiens)
PF00084
(Sushi)
PF00431
(CUB)
4 ILE A 304
TYR A 323
VAL A 302
SER A 333
None
0.96A 5jwaH-4lotA:
undetectable
5jwaH-4lotA:
17.59
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.
4mh1 SORBOSE
DEHYDROGENASE


(Ketogulonicigenium
vulgare)
PF13360
(PQQ_2)
4 ILE A  35
TYR A 516
VAL A 517
SER A  30
None
1.00A 5jwaH-4mh1A:
undetectable
5jwaH-4mh1A:
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.
4ohj TOXIC SHOCK SYNDROME
TOXIN-1


(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
4 ILE A  85
VAL A 102
VAL A 128
SER A  63
None
0.88A 5jwaH-4ohjA:
undetectable
5jwaH-4ohjA:
17.86
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.
4ojz PUTATIVE ALGINATE
LYASE


(Saccharophagus
degradans)
PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III)
4 VAL A 676
TYR A 607
VAL A 655
SER A 674
None
0.91A 5jwaH-4ojzA:
undetectable
5jwaH-4ojzA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmh PECTINESTERASE

(Sitophilus
oryzae)
PF01095
(Pectinesterase)
4 ILE A 322
VAL A 254
TYR A 242
VAL A 243
None
0.97A 5jwaH-4pmhA:
undetectable
5jwaH-4pmhA:
18.62
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.
4qqs GLYCOSIDE HYDROLASE
FAMILY 43


(Halothermothrix
orenii)
PF04616
(Glyco_hydro_43)
4 ILE A 242
VAL A 270
TYR A 293
VAL A 301
None
0.94A 5jwaH-4qqsA:
undetectable
5jwaH-4qqsA:
20.04
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.
4r9p RE28239P

(Drosophila
melanogaster)
PF03166
(MH2)
4 VAL A 138
TYR A 133
VAL A 118
SER A 136
None
0.98A 5jwaH-4r9pA:
undetectable
5jwaH-4r9pA:
19.19
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.
4rgn 14G8 HEAVY CHAIN

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 VAL B  96
TYR B  93
VAL B  37
TRP B 110
None
0.97A 5jwaH-4rgnB:
undetectable
5jwaH-4rgnB:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzz PEPTIDASE M24

(Ruegeria
lacuscaerulensis)
PF00557
(Peptidase_M24)
4 ILE A  83
VAL A 130
VAL A 104
SER A 124
None
0.91A 5jwaH-4rzzA:
undetectable
5jwaH-4rzzA:
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.
4txg CHITINASE

(Chromobacterium
violaceum)
PF00704
(Glyco_hydro_18)
PF06483
(ChiC)
4 ILE A 592
VAL A 461
VAL A 600
SER A 396
None
0.92A 5jwaH-4txgA:
undetectable
5jwaH-4txgA:
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.
4y0a SHIKIMATE KINASE

(Acinetobacter
baumannii)
PF01202
(SKI)
4 ILE A  99
VAL A 114
TYR A 116
VAL A  24
None
0.95A 5jwaH-4y0aA:
undetectable
5jwaH-4y0aA:
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.
4yds FLAGELLA-RELATED
PROTEIN H


(Sulfolobus
acidocaldarius)
PF06745
(ATPase)
4 ILE A  85
VAL A  41
TYR A  52
VAL A  53
None
1.00A 5jwaH-4ydsA:
undetectable
5jwaH-4ydsA:
18.31
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.
5a8j VWA2

(Sulfolobus
acidocaldarius)
PF00092
(VWA)
4 ILE A  87
VAL A  43
VAL A 119
SER A  79
None
0.97A 5jwaH-5a8jA:
undetectable
5jwaH-5a8jA:
22.59
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.
5aex AMMONIUM TRANSPORTER
MEP2


(Saccharomyces
cerevisiae)
PF00909
(Ammonium_transp)
4 ILE A  49
VAL A 193
VAL A 135
SER A 197
None
1.00A 5jwaH-5aexA:
undetectable
5jwaH-5aexA:
20.69
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.
5epo 7-ALPHA-HYDROXYSTERO
ID DEYDROGENASE


(Clostridium
sardiniense)
PF13561
(adh_short_C2)
4 ILE A 223
VAL A  88
TYR A 230
VAL A 227
None
1.00A 5jwaH-5epoA:
6.3
5jwaH-5epoA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmq INFLUENZA A PB2
SUBUNIT


(Influenza A
virus)
PF00604
(Flu_PB2)
4 ILE A 394
VAL A 478
VAL A 386
SER A 474
None
0.99A 5jwaH-5fmqA:
undetectable
5jwaH-5fmqA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5izd D-GLYCERALDEHYDE
DEHYDROGENASE
(NADP(+))


(Thermoplasma
acidophilum)
PF00171
(Aldedh)
4 ILE A  67
VAL A 197
VAL A 193
TRP A  56
None
0.96A 5jwaH-5izdA:
undetectable
5jwaH-5izdA:
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.
5jld ARGINYL-TRNA
SYNTHETASE, PUTATIVE


(Plasmodium
falciparum)
PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1)
4 ILE A 360
VAL A 282
VAL A 326
TRP A 365
None
0.95A 5jwaH-5jldA:
3.3
5jwaH-5jldA:
23.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jwb TYPE II
NADH:UBIQUINONE
OXIDOREDUCTASE


(Plasmodium
falciparum)
PF07992
(Pyr_redox_2)
6 ILE A 157
VAL A 206
TYR A 277
VAL A 278
TRP A 307
SER A 309
None
NAD  A 608 (-4.8A)
None
NAD  A 608 (-4.2A)
None
NAD  A 608 (-4.7A)
1.46A 5jwaH-5jwbA:
56.9
5jwaH-5jwbA:
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa)
no annotation 4 ILE A 564
VAL A 530
VAL A 542
TRP A 555
None
0.97A 5jwaH-5nbsA:
undetectable
5jwaH-5nbsA:
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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN


(Chaetomium
thermophilum)
no annotation 4 ILE A1562
VAL A1548
VAL A1534
SER A1552
None
0.99A 5jwaH-5nnlA:
2.3
5jwaH-5nnlA:
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.
5nvd CBS-CP12

(Microcystis
aeruginosa)
no annotation 4 ILE A  77
VAL A  41
TYR A  75
VAL A  74
None
0.82A 5jwaH-5nvdA:
undetectable
5jwaH-5nvdA:
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.
5t9x GLYCOSIDE HYDROLASE

(Bacteroides
uniformis)
no annotation 4 ILE A 191
VAL A 157
TYR A 162
VAL A 163
None
1.00A 5jwaH-5t9xA:
undetectable
5jwaH-5t9xA:
21.93
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4


(Staphylococcus
aureus)
no annotation 4 ILE A  67
VAL A  55
TYR A  63
VAL A  53
None
0.93A 5jwaH-5ty7A:
undetectable
5jwaH-5ty7A:
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.
5w95 CONSERVED MEMBRANE
PROTEIN OF
UNCHARACTERISED
FUNCTION


(Mycobacterium
tuberculosis)
no annotation 4 ILE A 188
VAL A 203
TYR A 169
VAL A 200
None
1.00A 5jwaH-5w95A:
undetectable
5jwaH-5w95A:
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.
5wpk 3-HYDROXY-3-METHYLGL
UTARYL COENZYME A
REDUCTASE


(Streptococcus
pneumoniae)
no annotation 4 ILE A 274
TYR A  77
VAL A  78
SER A 338
None
1.00A 5jwaH-5wpkA:
undetectable
5jwaH-5wpkA:
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.
5ydp TETR TRANSCRIPTIONAL
REGULATORY PROTEIN


(Dietzia sp.
DQ12-45-1b)
PF00440
(TetR_N)
4 ILE A 104
VAL A 213
TRP A 164
SER A 163
None
0.99A 5jwaH-5ydpA:
undetectable
5jwaH-5ydpA:
17.75
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.
5yf0 -

(-)
no annotation 4 ILE A 325
VAL A 405
VAL A 368
TRP A 338
None
0.82A 5jwaH-5yf0A:
2.9
5jwaH-5yf0A:
22.05
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8


(Homo sapiens)
no annotation 4 ILE A 279
VAL A 245
VAL A 218
SER A 239
None
0.90A 5jwaH-6bszA:
3.2
5jwaH-6bszA:
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.
6cau UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE


(Acinetobacter
baumannii)
no annotation 4 ILE A 239
VAL A 250
TYR A 253
VAL A 232
None
0.99A 5jwaH-6cauA:
4.5
5jwaH-6cauA:
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.
6gu8 -

(-)
no annotation 4 ILE A  60
VAL A 364
VAL A  37
TRP A  52
None
0.96A 5jwaH-6gu8A:
undetectable
5jwaH-6gu8A:
undetectable