SIMILAR PATTERNS OF AMINO ACIDS FOR 5JWA_A_ACTA609_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.
1bf5 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		3 VAL A 146
SER A 144
TRP A 262
 None
 0.98A 5jwaA-1bf5A:
undetectable		 5jwaA-1bf5A:
22.97
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.
1c8n COAT PROTEIN

(unidentified
tobacco
necrosis virus) 		PF00729
(Viral_coat) 		3 VAL A 209
SER A 136
TRP A 134
 None
 0.79A 5jwaA-1c8nA:
undetectable		 5jwaA-1c8nA:
19.09
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.
1cgs IGG2B-KAPPA NC6.8
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL H 186
SER H 188
TRP H 191
 None
 0.96A 5jwaA-1cgsH:
undetectable		 5jwaA-1cgsH:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		3 VAL A 271
SER A 432
TRP A 434
 None
 0.91A 5jwaA-1dppA:
0.0		 5jwaA-1dppA:
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 VAL A 114
SER A 192
TRP A 191
 None
 0.72A 5jwaA-1f4hA:
0.0		 5jwaA-1f4hA:
18.85
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.
1hdf SPHERULIN 3A

(Physarum
polycephalum) 		PF08964
(Crystall_3) 		3 VAL A  40
SER A  41
TRP A  28
 None
 1.08A 5jwaA-1hdfA:
undetectable		 5jwaA-1hdfA:
9.65
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.
1i9a ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Escherichia
coli) 		PF00293
(NUDIX) 		3 VAL A  61
SER A 159
TRP A  58
 None
 0.77A 5jwaA-1i9aA:
undetectable		 5jwaA-1i9aA:
14.53
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		3 VAL A 226
SER A 225
TRP A 456
 None
 1.04A 5jwaA-1j1wA:
0.0		 5jwaA-1j1wA:
21.13
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.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		3 VAL A 140
SER A 145
TRP A 146
 None
SO4  A 322 (-2.9A)
None
 0.85A 5jwaA-1k8gA:
undetectable		 5jwaA-1k8gA:
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 VAL A 611
SER A 590
TRP A 593
 None
 1.05A 5jwaA-1kqfA:
undetectable		 5jwaA-1kqfA:
19.02
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.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		3 VAL A 335
SER A 309
TRP A 313
 None
 0.89A 5jwaA-1n31A:
undetectable		 5jwaA-1n31A:
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.
1ph5 TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		3 VAL A 140
SER A 145
TRP A 146
 None
 0.90A 5jwaA-1ph5A:
undetectable		 5jwaA-1ph5A:
22.53
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.
1qfu PROTEIN
(IMMUNOGLOBULIN
IGG1-KAPPA ANTIBODY
(HEAVY CHAIN))

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL H 183
SER H 185
TRP H 188
 None
 1.06A 5jwaA-1qfuH:
undetectable		 5jwaA-1qfuH:
16.76
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.
1qqh PAPILLOMAVIRUS
TRANSCRIPTION FACTOR
E2

(Alphapapillomavirus
7) 		PF00508
(PPV_E2_N) 		3 VAL A 137
SER A 136
TRP A 134
 None
 1.08A 5jwaA-1qqhA:
undetectable		 5jwaA-1qqhA:
12.65
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.
1rcw CT610

(Chlamydia
trachomatis) 		PF03070
(TENA_THI-4) 		3 VAL A 207
SER A 204
TRP A 125
 None
 1.05A 5jwaA-1rcwA:
undetectable		 5jwaA-1rcwA:
16.83
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.
1tue REGULATORY PROTEIN
E2

(Alphapapillomavirus
7) 		PF00508
(PPV_E2_N) 		3 VAL B 141
SER B 140
TRP B 138
 None
 1.06A 5jwaA-1tueB:
undetectable		 5jwaA-1tueB:
16.89
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.
1us2 ENDO-BETA-1,4-XYLANA
SE

(Cellvibrio
japonicus) 		PF00331
(Glyco_hydro_10)
PF03426
(CBM_15) 		3 VAL A 427
SER A 379
TRP A 380
 None
 1.03A 5jwaA-1us2A:
undetectable		 5jwaA-1us2A:
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.
1v31 HYPOTHETICAL PROTEIN
RAFL11-05-P19

(Arabidopsis
thaliana) 		PF02201
(SWIB) 		3 VAL A  74
SER A  75
TRP A  37
 None
 1.03A 5jwaA-1v31A:
undetectable		 5jwaA-1v31A:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb4 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		3 VAL A 197
SER A 122
TRP A 120
 None
 1.02A 5jwaA-1vb4A:
undetectable		 5jwaA-1vb4A:
16.99
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		3 VAL A 188
SER A 189
TRP A 174
 None
FMN  A 322 (-3.0A)
None
 1.05A 5jwaA-1vhnA:
undetectable		 5jwaA-1vhnA:
20.87
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		3 VAL A 389
SER A  95
TRP A  98
 None
 0.96A 5jwaA-1w27A:
undetectable		 5jwaA-1w27A:
21.08
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.
1w2u ENDOGLUCANASE

(Humicola grisea) 		PF01670
(Glyco_hydro_12) 		3 VAL A  87
SER A  88
TRP A  89
 None
PG4  A 501 (-3.2A)
None
 1.04A 5jwaA-1w2uA:
undetectable		 5jwaA-1w2uA:
16.54
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 VAL A 112
SER A 192
TRP A 191
 None
 0.91A 5jwaA-1yq2A:
undetectable		 5jwaA-1yq2A:
16.34
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 VAL A 930
SER A 928
TRP A 886
 None
 1.08A 5jwaA-1yq2A:
undetectable		 5jwaA-1yq2A:
16.34
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.
2cnd NADH-DEPENDENT
NITRATE REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		3 VAL A 218
SER A 217
TRP A 214
 None
 0.97A 5jwaA-2cndA:
2.4		 5jwaA-2cndA:
21.08
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.
2dck XYLANASE J

(Bacillus sp.
41M-1) 		PF00457
(Glyco_hydro_11)
PF03422
(CBM_6) 		3 VAL A  42
SER A  40
TRP A  39
 None
 0.97A 5jwaA-2dckA:
undetectable		 5jwaA-2dckA:
20.41
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 VAL A 108
SER A 109
TRP A 134
 None
 0.88A 5jwaA-2e7zA:
undetectable		 5jwaA-2e7zA:
20.46
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.
2ehb CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF03822
(NAF) 		3 VAL D 342
SER D 343
TRP D 429
 None
 1.03A 5jwaA-2ehbD:
undetectable		 5jwaA-2ehbD:
18.35
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.
2ft0 TDP-FUCOSAMINE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 3 VAL A  44
SER A  21
TRP A  41
 None
 1.04A 5jwaA-2ft0A:
undetectable		 5jwaA-2ft0A:
16.99
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.
2h7g DNA TOPOISOMERASE 1

(Variola virus) 		PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N) 		3 VAL X 239
SER X 293
TRP X 236
 None
 1.05A 5jwaA-2h7gX:
undetectable		 5jwaA-2h7gX:
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 VAL A 193
SER A 197
TRP A 200
 None
 0.99A 5jwaA-2ivfA:
undetectable		 5jwaA-2ivfA:
18.78
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		3 VAL A 200
SER A 290
TRP A 244
 None
 0.49A 5jwaA-2nsmA:
undetectable		 5jwaA-2nsmA:
20.30
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.
2o1v ENDOPLASMIN

(Canis lupus) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 VAL A 232
SER A 231
TRP A 223
 None
 1.04A 5jwaA-2o1vA:
undetectable		 5jwaA-2o1vA:
23.42
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.
2o1w ENDOPLASMIN

(Canis lupus) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 VAL A 232
SER A 231
TRP A 223
 None
 1.03A 5jwaA-2o1wA:
undetectable		 5jwaA-2o1wA:
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		3 VAL A 361
SER A 360
TRP A 428
 None
 0.99A 5jwaA-2r66A:
3.5		 5jwaA-2r66A:
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 VAL A 293
SER A 291
TRP A 543
 None
 0.97A 5jwaA-2vbiA:
undetectable		 5jwaA-2vbiA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8i PUTATIVE OUTER
MEMBRANE LIPOPROTEIN
WZA

(Escherichia
coli) 		PF02563
(Poly_export)
PF10531
(SLBB) 		3 VAL A  92
SER A 114
TRP A 119
 None
 0.81A 5jwaA-2w8iA:
undetectable		 5jwaA-2w8iA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		3 VAL A 406
SER A 384
TRP A 385
 None
 1.01A 5jwaA-2yeqA:
undetectable		 5jwaA-2yeqA:
22.73
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.
2yk1 FAB FRAGMENT, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL H  24
SER H  25
TRP H  30
 None
 1.02A 5jwaA-2yk1H:
undetectable		 5jwaA-2yk1H:
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		3 VAL A 363
SER A 365
TRP A 366
 None
 0.99A 5jwaA-2zzrA:
undetectable		 5jwaA-2zzrA:
20.19
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 VAL A 373
SER A 374
TRP A 396
 None
 1.02A 5jwaA-3ak5A:
undetectable		 5jwaA-3ak5A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		3 VAL A 214
SER A 215
TRP A 254
 None
 0.99A 5jwaA-3e53A:
undetectable		 5jwaA-3e53A:
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.
3fg6 ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		3 VAL A 473
SER A 474
TRP A 440
 None
 0.92A 5jwaA-3fg6A:
undetectable		 5jwaA-3fg6A:
21.39
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.
3htz ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF01411
(tRNA-synt_2c) 		3 VAL A 129
SER A 128
TRP A 140
 None
 0.94A 5jwaA-3htzA:
undetectable		 5jwaA-3htzA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iy7 FRAGMENT FROM
NEUTRALIZING
ANTIBODY F (HEAVY
CHAIN)

(Rattus
norvegicus) 		PF07686
(V-set) 		3 VAL B 210
SER B 198
TRP B 208
 None
 0.98A 5jwaA-3iy7B:
undetectable		 5jwaA-3iy7B:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jcl SPIKE GLYCOPROTEIN

(Murine
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		3 VAL A  32
SER A  90
TRP A  91
 None
 0.84A 5jwaA-3jclA:
undetectable		 5jwaA-3jclA:
16.88
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		3 VAL E 250
SER E 283
TRP E 284
 None
 0.87A 5jwaA-3kfuE:
undetectable		 5jwaA-3kfuE:
20.39
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.
3lkw FUSION PROTEIN OF
NONSTRUCTURAL
PROTEIN 2B AND
NONSTRUCTURAL
PROTEIN 3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		3 VAL A 197
SER A 138
TRP A 139
 None
 0.87A 5jwaA-3lkwA:
undetectable		 5jwaA-3lkwA:
15.61
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.
3nwi ZINC TRANSPORT
PROTEIN ZNTB

(Salmonella
enterica) 		PF01544
(CorA) 		3 VAL A  13
SER A  54
TRP A  57
 None
 1.08A 5jwaA-3nwiA:
undetectable		 5jwaA-3nwiA:
18.46
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 VAL A 111
SER A 104
TRP A 103
 None
 1.00A 5jwaA-3p4sA:
10.1		 5jwaA-3p4sA:
19.14
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		3 VAL A 222
SER A 223
TRP A 262
 None
 0.94A 5jwaA-3pbkA:
undetectable		 5jwaA-3pbkA:
20.68
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.
3pt7 HEMOGLOBIN II

(Phacoides
pectinatus) 		PF00042
(Globin) 		3 VAL A  77
SER A  75
TRP A  15
 None
 1.07A 5jwaA-3pt7A:
undetectable		 5jwaA-3pt7A:
13.52
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.
3rd7 ACYL-COA
THIOESTERASE

(Mycobacterium
avium) 		PF13622
(4HBT_3) 		3 VAL A 129
SER A 127
TRP A 179
 None
 0.98A 5jwaA-3rd7A:
undetectable		 5jwaA-3rd7A:
16.28
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.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		3 VAL A  24
SER A 208
TRP A 207
 None
 1.04A 5jwaA-3te7A:
3.2		 5jwaA-3te7A:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		3 VAL A  67
SER A  68
TRP A  75
 None
 0.92A 5jwaA-3u0bA:
4.5		 5jwaA-3u0bA:
22.97
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		3 VAL A 750
SER A 848
TRP A 897
 None
 1.00A 5jwaA-3w5nA:
undetectable		 5jwaA-3w5nA:
17.45
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.
4ate BETA-PORPHYRANASE A

(Zobellia
galactanivorans) 		no annotation 3 VAL A  89
SER A  87
TRP A  97
 None
 0.93A 5jwaA-4ateA:
undetectable		 5jwaA-4ateA:
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.
4b6v EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E
TYPE 3

(Mus musculus) 		PF01652
(IF4E) 		3 VAL A  78
SER A 119
TRP A 122
 None
 0.97A 5jwaA-4b6vA:
undetectable		 5jwaA-4b6vA:
14.59
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		3 VAL A  45
SER A  46
TRP A 291
 None
None
2DG  A1001 ( 3.7A)
 1.00A 5jwaA-4ccdA:
undetectable		 5jwaA-4ccdA:
22.47
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.
4e1o HISTIDINE
DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		3 VAL A 119
SER A 359
TRP A 363
 None
 0.80A 5jwaA-4e1oA:
undetectable		 5jwaA-4e1oA:
20.41
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.
4g43 MHC CLASS I ALPHA
CHAIN 2

(Gallus gallus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 VAL A 186
SER A 269
TRP A 270
 None
 1.03A 5jwaA-4g43A:
undetectable		 5jwaA-4g43A:
18.47
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.
4gt7 IG EPSILON CHAIN C
REGION

(Homo sapiens) 		PF07654
(C1-set) 		3 VAL A 382
SER A 375
TRP A 374
 None
 0.98A 5jwaA-4gt7A:
undetectable		 5jwaA-4gt7A:
17.58
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.
4hfu HEMAGGLUTININ HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 VAL A 202
SER A 203
TRP A 180
 None
 1.06A 5jwaA-4hfuA:
undetectable		 5jwaA-4hfuA:
21.41
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		3 VAL A 432
SER A 433
TRP A 147
 None
 1.01A 5jwaA-4hu8A:
undetectable		 5jwaA-4hu8A:
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		3 VAL A 299
SER A 295
TRP A 298
 None
 1.02A 5jwaA-4hvlA:
undetectable		 5jwaA-4hvlA:
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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		3 VAL A 235
SER A 236
TRP A 225
 GOL  A 508 (-4.8A)
GOL  A 508 (-4.0A)
GOL  A 508 ( 4.3A)
 0.97A 5jwaA-4k37A:
undetectable		 5jwaA-4k37A:
21.61
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		3 VAL A 299
SER A 295
TRP A 298
 None
 1.04A 5jwaA-4kpgA:
undetectable		 5jwaA-4kpgA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kvc IG HEAVY CHAIN V
REGION MOPC 21, IGH
PROTEIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL H 190
SER H 192
TRP H 195
 None
 1.04A 5jwaA-4kvcH:
undetectable		 5jwaA-4kvcH:
17.33
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		3 VAL A 299
SER A 295
TRP A 298
 None
 0.97A 5jwaA-4m1zA:
undetectable		 5jwaA-4m1zA:
21.31
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		3 VAL A 202
SER A 195
TRP A 272
 None
 0.89A 5jwaA-4maeA:
undetectable		 5jwaA-4maeA:
21.01
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F

(Vibrio cholerae) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		3 VAL F 160
SER F 159
TRP F 133
 None
 1.07A 5jwaA-4p6vF:
4.4		 5jwaA-4p6vF:
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.
4wt5 RUBISCO ACCUMULATION
FACTOR 1, ISOFORM 2

(Arabidopsis
thaliana) 		no annotation 3 VAL A 298
SER A 349
TRP A 350
 None
 0.71A 5jwaA-4wt5A:
undetectable		 5jwaA-4wt5A:
15.00
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.
4y5z IMMUNOGLOBULIN
G-BINDING PROTEIN
A,COAT PROTEIN

(Staphylococcus
aureus;
Sesbania mosaic
virus) 		no annotation 3 VAL A 197
SER A 122
TRP A 120
 None
 1.04A 5jwaA-4y5zA:
undetectable		 5jwaA-4y5zA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a1k ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		3 VAL A 211
SER A 215
TRP A 177
 None
 1.07A 5jwaA-5a1kA:
undetectable		 5jwaA-5a1kA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		3 VAL A  64
SER A  41
TRP A  44
 None
EDO  A1318 (-2.9A)
None
 0.95A 5jwaA-5ahoA:
undetectable		 5jwaA-5ahoA:
18.53
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.
5ay6 FLAGELLAR HOOK
PROTEIN FLGE

(Caulobacter
vibrioides) 		PF07559
(FlaE) 		3 VAL A 327
SER A 315
TRP A 314
 None
 1.07A 5jwaA-5ay6A:
undetectable		 5jwaA-5ay6A:
20.27
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.
5dq9 S55-3 FAB (IGG2B)
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL A 183
SER A 185
TRP A 188
 None
 0.99A 5jwaA-5dq9A:
undetectable		 5jwaA-5dq9A:
18.13
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.
5ep5 THIOESTERASE

(Staphylococcus
aureus) 		PF03061
(4HBT) 		3 VAL A 118
SER A  51
TRP A  99
 None
 0.80A 5jwaA-5ep5A:
undetectable		 5jwaA-5ep5A:
13.92
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		3 VAL A 223
SER A 224
TRP A 262
 None
 0.96A 5jwaA-5ey9A:
undetectable		 5jwaA-5ey9A:
21.42
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.
5fgc ANTI-HCV E2 FAB
HC33.8 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL B  47
SER B  33
TRP B  34
 None
 0.89A 5jwaA-5fgcB:
undetectable		 5jwaA-5fgcB:
17.02
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.
5h4e BETA 1-3 GLUCANASE

(Clostridium
beijerinckii) 		no annotation 3 VAL A 231
SER A 303
TRP A 246
 None
 0.95A 5jwaA-5h4eA:
undetectable		 5jwaA-5h4eA:
20.52
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.
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1

(Homo sapiens) 		PF04622
(ERG2_Sigma1R) 		3 VAL A 162
SER A 117
TRP A  89
 None
61V  A 301 (-2.9A)
None
 0.97A 5jwaA-5hk2A:
undetectable		 5jwaA-5hk2A:
18.78
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 VAL A 318
SER A 303
TRP A 196
 None
 1.05A 5jwaA-5hl4A:
undetectable		 5jwaA-5hl4A:
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.
5ihz 1E01 FAB FRAGMENT
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL B  56
SER B  79
TRP B  41
 None
 1.04A 5jwaA-5ihzB:
undetectable		 5jwaA-5ihzB:
16.25
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		3 VAL A 262
SER A 259
TRP A 254
 None
 0.89A 5jwaA-5jjuA:
2.2		 5jwaA-5jjuA:
18.25
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) 		3 VAL A 481
SER A 497
TRP A 500
 None
CXS  A 614 ( 4.8A)
CXS  A 614 (-3.8A)
 0.12A 5jwaA-5jwbA:
56.9		 5jwaA-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.
5k2y PROBABLE PERIPLASMIC
SUGAR-BINDING
LIPOPROTEIN USPC

(Mycobacterium
tuberculosis) 		PF01547
(SBP_bac_1) 		3 VAL A 364
SER A 347
TRP A 123
 None
 0.95A 5jwaA-5k2yA:
undetectable		 5jwaA-5k2yA:
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		3 VAL A 365
SER A 363
TRP A 423
 None
 1.01A 5jwaA-5mq6A:
0.0		 5jwaA-5mq6A:
21.60
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		3 VAL A 427
SER A 584
TRP A 587
 None
 0.77A 5jwaA-5mzoA:
undetectable		 5jwaA-5mzoA:
16.24
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.
5n72 WIPA

(Legionella
pneumophila) 		no annotation 3 VAL A 366
SER A 211
TRP A 367
 None
None
ACT  A 501 ( 4.6A)
 0.93A 5jwaA-5n72A:
undetectable		 5jwaA-5n72A:
22.80
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.
5nny WIPB

(Legionella
pneumophila) 		no annotation 3 VAL A 307
SER A 149
TRP A 308
 None
 0.97A 5jwaA-5nnyA:
undetectable		 5jwaA-5nnyA:
22.99
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.
5oge GDP-MANNOSE
TRANSPORTER 1

(Saccharomyces
cerevisiae) 		no annotation 3 VAL A 275
SER A  20
TRP A 271
 None
 0.79A 5jwaA-5ogeA:
undetectable		 5jwaA-5ogeA:
21.05
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.
5oj3 -

(-) 		no annotation 3 VAL A 357
SER A 359
TRP A 396
 None
 1.00A 5jwaA-5oj3A:
undetectable		 5jwaA-5oj3A:
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.
5t1d E1D1 IGG2A HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL H 185
SER H 187
TRP H 190
 None
 1.03A 5jwaA-5t1dH:
undetectable		 5jwaA-5t1dH:
17.01
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.
5x56 PHOTOSYSTEM II
REPAIR PROTEIN
PSB27-H1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 3 VAL A  13
SER A  41
TRP A  44
 None
 0.86A 5jwaA-5x56A:
undetectable		 5jwaA-5x56A:
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.
5xvm STEROL
3-BETA-GLUCOSYLTRANS
FERASE

(Saccharomyces
cerevisiae) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		3 VAL A1001
SER A1029
TRP A1028
 None
 0.95A 5jwaA-5xvmA:
3.3		 5jwaA-5xvmA:
22.18
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.
6aom ENDOPLASMIN

(Canis lupus) 		no annotation 3 VAL A 232
SER A 231
TRP A 223
 None
GOL  A 410 (-3.4A)
None
 0.99A 5jwaA-6aomA:
undetectable		 5jwaA-6aomA:
18.55
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae) 		no annotation 3 VAL F 288
SER F 326
TRP F 329
 None
 0.90A 5jwaA-6btmF:
undetectable		 5jwaA-6btmF:
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.
6cnk IGG1 KAPPA LIGHT
CHAIN

(Mus musculus) 		no annotation 3 VAL F  56
SER F  70
TRP F  40
 None
 1.07A 5jwaA-6cnkF:
undetectable		 5jwaA-6cnkF:
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.
6czp OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE

(Vibrio
vulnificus) 		no annotation 3 VAL A 213
SER A 209
TRP A 208
 None
 0.78A 5jwaA-6czpA:
undetectable		 5jwaA-6czpA:
undetectable