SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q5P_A_TACA7101

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bow MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR BMRR

(Bacillus
subtilis) 		PF06445
(GyrI-like) 		8 PRO A  25
ILE A  63
TYR A  68
PHE A 105
TYR A 110
GLU A 134
ILE A 136
TYR A 149
 None
 0.84A 3q5pA-1bowA:
21.3		 3q5pA-1bowA:
61.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bow MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR BMRR

(Bacillus
subtilis) 		PF06445
(GyrI-like) 		5 PRO A  25
VAL A  28
TYR A  68
GLU A 134
ILE A 136
 None
 1.36A 3q5pA-1bowA:
21.3		 3q5pA-1bowA:
61.33
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.
1gtm GLUTAMATE
DEHYDROGENASE

(Pyrococcus
furiosus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 VAL A  37
ILE A 107
TYR A 126
ILE A 134
TYR A 131
 None
 1.48A 3q5pA-1gtmA:
0.0		 3q5pA-1gtmA:
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.
1jkw CYCLIN H

(Homo sapiens) 		PF00134
(Cyclin_N)
PF16899
(Cyclin_C_2) 		5 PRO A 163
ILE A 212
TYR A 164
TYR A 204
TYR A  86
 None
 1.06A 3q5pA-1jkwA:
0.0		 3q5pA-1jkwA:
23.08
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.
1mi1 NEUROBEACHIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		5 ASN A2366
TYR A2363
ILE A2491
TYR A2513
TYR A2348
 None
 1.04A 3q5pA-1mi1A:
0.0		 3q5pA-1mi1A:
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.
1te1 ENDO-1,4-XYLANASE

(Talaromyces
funiculosus) 		PF00457
(Glyco_hydro_11) 		5 VAL B  59
ILE B 186
GLU B  90
ILE B  88
TYR B  86
 None
 1.50A 3q5pA-1te1B:
0.0		 3q5pA-1te1B:
18.66
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.
1u2v ARP2/3 COMPLEX 20KDA
SUBUNIT

(Bos taurus) 		PF05856
(ARPC4) 		5 VAL F  12
TYR F   8
ILE F 118
ILE F  74
TYR F 112
 None
 1.48A 3q5pA-1u2vF:
1.9		 3q5pA-1u2vF:
18.25
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.
1uan HYPOTHETICAL PROTEIN
TT1542

(Thermus
thermophilus) 		PF02585
(PIG-L) 		5 PRO A  11
TYR A 145
PHE A 177
TYR A 173
GLU A  15
 None
 1.16A 3q5pA-1uanA:
0.0		 3q5pA-1uanA:
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.
1ul1 FLAP ENDONUCLEASE-1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 PRO X  81
VAL X  31
TYR X  26
ILE X 150
ILE X  23
 None
 1.45A 3q5pA-1ul1X:
0.0		 3q5pA-1ul1X:
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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		5 TYR A  50
ILE A 198
TYR A 180
ILE A  91
TYR A 146
 None
 1.34A 3q5pA-1wd3A:
0.0		 3q5pA-1wd3A:
19.38
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ASN A 150
ILE A 158
PHE A 139
ILE A  73
TYR A  82
 None
 1.10A 3q5pA-1xocA:
undetectable		 3q5pA-1xocA:
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 947
TYR A 992
ILE A1142
PHE A1021
ILE A 993
 None
 1.40A 3q5pA-1yguA:
undetectable		 3q5pA-1yguA:
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.
2aj6 HYPOTHETICAL PROTEIN
MW0638

(Staphylococcus
aureus) 		PF00583
(Acetyltransf_1) 		5 PRO A  88
TYR A  85
GLU A  87
ILE A  65
TYR A  58
 SO4  A 148 (-4.3A)
SO4  A 148 ( 4.4A)
None
None
None
 1.21A 3q5pA-2aj6A:
undetectable		 3q5pA-2aj6A:
20.36
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.
2f99 AKLANONIC ACID
METHYL ESTER
CYCLASE, AKNH

(Streptomyces
galilaeus) 		PF07366
(SnoaL) 		5 VAL A  12
TYR A  26
ILE A 106
ILE A 116
TYR A  31
 None
 1.49A 3q5pA-2f99A:
undetectable		 3q5pA-2f99A:
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.
2hjg GTP-BINDING PROTEIN
ENGA

(Bacillus
subtilis) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 PRO A 341
ILE A 344
PHE A 218
TYR A 220
GLU A 198
 None
 1.48A 3q5pA-2hjgA:
undetectable		 3q5pA-2hjgA:
21.25
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.
2plt PLASTOCYANIN

(Chlamydomonas
reinhardtii) 		PF00127
(Copper-bind) 		5 VAL A  72
ASN A  28
ILE A  46
TYR A  80
ILE A  21
 None
 1.43A 3q5pA-2pltA:
undetectable		 3q5pA-2pltA:
14.84
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.
2qmi PBP RELATED
BETA-LACTAMASE

(Pyrococcus
abyssi) 		PF00144
(Beta-lactamase)
PF13969
(Pab87_oct) 		5 PRO A 317
ILE A 252
TYR A 315
GLU A 268
ILE A 290
 None
 1.26A 3q5pA-2qmiA:
undetectable		 3q5pA-2qmiA:
21.73
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 VAL A 341
TYR A 428
TYR A 245
ILE A 259
TYR A 249
 None
 1.43A 3q5pA-2v26A:
undetectable		 3q5pA-2v26A:
15.55
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 VAL A 284
ILE A 178
TYR A 240
GLU A 236
ILE A 233
 None
 1.33A 3q5pA-2xymA:
undetectable		 3q5pA-2xymA:
19.42
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.
3axy 14-3-3-LIKE PROTEIN
GF14-C

(Oryza sativa) 		PF00244
(14-3-3) 		5 VAL C  48
ASN C  44
ILE C  97
TYR C 129
TYR C 122
 None
 1.46A 3q5pA-3axyC:
undetectable		 3q5pA-3axyC:
23.32
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.
3bwn L-TRYPTOPHAN
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF04864
(Alliinase_C) 		5 PRO A 197
TYR A  35
ILE A 202
PHE A 213
ILE A 218
 None
 1.40A 3q5pA-3bwnA:
undetectable		 3q5pA-3bwnA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cji POLYPROTEIN

(Senecavirus A) 		PF00073
(Rhv)
no annotation 		5 PRO A 192
VAL A 190
TYR B  36
GLU C 138
ILE C 222
 None
 1.41A 3q5pA-3cjiA:
undetectable		 3q5pA-3cjiA:
22.52
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.
3e15 GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Plasmodium
vivax) 		PF01182
(Glucosamine_iso) 		5 PRO A  64
TYR A  37
ILE A  65
TYR A  68
ILE A  38
 None
 1.41A 3q5pA-3e15A:
undetectable		 3q5pA-3e15A:
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.
3g9v INTERLEUKIN 22
RECEPTOR, ALPHA 2

(Homo sapiens) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		5 ASN A  40
ILE A 145
TYR A 171
GLU A 164
ILE A 163
 None
 1.49A 3q5pA-3g9vA:
undetectable		 3q5pA-3g9vA:
22.48
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.
3hdn SERINE/THREONINE-PRO
TEIN KINASE SGK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 TYR A 292
ILE A 228
TYR A 263
PHE A 194
GLU A 289
 None
 1.41A 3q5pA-3hdnA:
undetectable		 3q5pA-3hdnA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6y ESTERASE APC40077

(Oleispira
antarctica) 		PF00756
(Esterase) 		5 PRO A 129
ASN A 108
ILE A 132
TYR A  50
ILE A 157
 None
 1.34A 3q5pA-3i6yA:
undetectable		 3q5pA-3i6yA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 VAL A 172
TYR A 194
ILE A 205
ILE A 280
TYR A 277
 None
 1.30A 3q5pA-3kwlA:
undetectable		 3q5pA-3kwlA:
21.51
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.
3ls2 S-FORMYLGLUTATHIONE
HYDROLASE

(Pseudoalteromonas
haloplanktis) 		PF00756
(Esterase) 		5 PRO A 128
ASN A 107
ILE A 131
TYR A  49
ILE A 156
 None
 1.35A 3q5pA-3ls2A:
undetectable		 3q5pA-3ls2A:
21.24
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.
3lur PUTATIVE BACTERIAL
TRANSCRIPTION
REGULATION PROTEIN

(Staphylococcus
aureus) 		PF06445
(GyrI-like) 		5 VAL A 105
ILE A  73
TYR A 137
TYR A  71
GLU A 135
 None
None
PG4  A 158 ( 3.8A)
None
None
 1.29A 3q5pA-3lurA:
10.2		 3q5pA-3lurA:
18.73
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 PRO A 125
ASN A 104
ILE A 126
GLU A 360
ILE A 358
 None
 1.46A 3q5pA-3nzqA:
undetectable		 3q5pA-3nzqA:
17.85
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.
3opu SPAP

(Streptococcus
mutans) 		PF16364
(Antigen_C) 		5 PRO A1342
ASN A1347
TYR A1456
GLU A1454
ILE A1364
 None
 1.46A 3q5pA-3opuA:
undetectable		 3q5pA-3opuA:
21.79
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.
3qef BETA-XYLOSIDASE/ALPH
A-L-ARABINFURANOSIDA
SE, GLY43N

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 VAL A 219
TYR A 190
ILE A 238
PHE A 213
ILE A 207
 None
 1.43A 3q5pA-3qefA:
undetectable		 3q5pA-3qefA:
21.70
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.
3qm1 CINNAMOYL ESTERASE

(Lactobacillus
johnsonii) 		PF12146
(Hydrolase_4) 		5 VAL A  91
TYR A 119
ILE A  55
TYR A 101
ILE A 123
 None
 1.30A 3q5pA-3qm1A:
undetectable		 3q5pA-3qm1A:
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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 TYR A 627
TYR A 202
PHE A 288
GLU A 207
TYR A 285
 None
 1.32A 3q5pA-3s5kA:
undetectable		 3q5pA-3s5kA:
13.09
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.
3tzg HYPOTHETICAL PROTEIN
BVU_2266

(Bacteroides
vulgatus) 		no annotation 5 ILE A 129
TYR A 122
PHE A  89
TYR A 207
ILE A  91
 None
 1.29A 3q5pA-3tzgA:
undetectable		 3q5pA-3tzgA:
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C) 		5 VAL A  11
ASN A  48
TYR A  58
ILE A  45
TYR A  33
 None
 1.44A 3q5pA-3vgfA:
undetectable		 3q5pA-3vgfA:
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		5 VAL A 341
TYR A 428
TYR A 245
ILE A 259
TYR A 249
 None
 1.45A 3q5pA-4anjA:
0.2		 3q5pA-4anjA:
13.99
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.
4atw ALPHA-L-ARABINOFURAN
OSIDASE DOMAIN
PROTEIN

(Thermotoga
maritima) 		PF06964
(Alpha-L-AF_C) 		5 VAL A 328
ILE A 116
PHE A 104
TYR A 112
TYR A  33
 None
 1.41A 3q5pA-4atwA:
undetectable		 3q5pA-4atwA:
20.20
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 TYR A1190
ILE A1413
TYR A1204
PHE A1442
GLU A1407
 None
 1.45A 3q5pA-4aygA:
undetectable		 3q5pA-4aygA:
14.73
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.
4buo NEUROTENSIN RECEPTOR
TYPE 1

(Rattus
norvegicus) 		PF00001
(7tm_1) 		5 TYR A 126
ILE A 116
TYR A 145
TYR A 359
GLU A 124
 None
 1.39A 3q5pA-4buoA:
undetectable		 3q5pA-4buoA:
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.
4cem REGULATOR OF
NONSENSE TRANSCRIPTS
2

(Homo sapiens) 		PF02854
(MIF4G) 		5 VAL A 175
ASN A 171
PHE A 236
ILE A 202
TYR A 233
 None
 1.06A 3q5pA-4cemA:
1.8		 3q5pA-4cemA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 ASN A 170
TYR A 101
ILE A 224
GLU A 190
ILE A 191
 None
 1.37A 3q5pA-4ddqA:
1.0		 3q5pA-4ddqA:
20.88
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 ASN A 170
TYR A 101
ILE A 230
GLU A 190
ILE A 191
 None
 1.42A 3q5pA-4ddqA:
1.0		 3q5pA-4ddqA:
20.88
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 ASN A 170
TYR A 101
ILE A 487
GLU A 190
ILE A 191
 None
 1.28A 3q5pA-4ddqA:
1.0		 3q5pA-4ddqA:
20.88
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		5 VAL A 143
ILE A 134
GLU A  64
ILE A 178
TYR A 175
 None
 1.47A 3q5pA-4hesA:
undetectable		 3q5pA-4hesA:
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.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		5 PRO A 132
VAL A  36
TYR A  34
TYR A 138
ILE A 139
 None
 1.45A 3q5pA-4ihqA:
undetectable		 3q5pA-4ihqA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lik DNA PRIMASE SMALL
SUBUNIT

(Homo sapiens) 		PF01896
(DNA_primase_S) 		5 PRO A 344
VAL A 347
TYR A 391
ILE A 127
ILE A 334
 None
 1.27A 3q5pA-4likA:
undetectable		 3q5pA-4likA:
20.81
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.
4mc0 PUTATIVE
SESQUITERPENE
CYCLASE

(Kitasatospora
setae) 		no annotation 5 ASN A 221
ILE A  85
TYR A 234
PHE A 149
GLU A 156
 None
 1.37A 3q5pA-4mc0A:
1.5		 3q5pA-4mc0A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mmh HEPARINASE III
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 PRO A 443
ASN A 565
TYR A 561
TYR A 588
GLU A 544
 None
 1.38A 3q5pA-4mmhA:
undetectable		 3q5pA-4mmhA:
20.94
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.
4pay SIDC, INTERAPTIN

(Legionella
pneumophila) 		no annotation 5 ASN A 156
ILE A 439
TYR A 353
GLU A 357
ILE A 360
 None
 1.39A 3q5pA-4payA:
undetectable		 3q5pA-4payA:
18.44
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.
4pjs PENTATRICOPEPTIDE
REPEAT PROTEIN

(unidentified) 		PF13041
(PPR_2) 		5 PRO A 141
VAL A 108
ILE A 174
TYR A 146
ILE A 115
 None
 1.49A 3q5pA-4pjsA:
undetectable		 3q5pA-4pjsA:
24.28
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.
4s15 NUCLEAR RECEPTOR
ROR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 VAL A 379
ASN A 377
ILE A 327
PHE A 399
ILE A 400
 None
 1.27A 3q5pA-4s15A:
undetectable		 3q5pA-4s15A:
23.55
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.
4s3j CORTICAL-LYTIC
ENZYME

(Bacillus cereus) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 VAL A   5
ASN A  31
ILE A  65
TYR A  69
ILE A   2
 None
None
None
EDO  A 501 (-2.7A)
None
 1.48A 3q5pA-4s3jA:
undetectable		 3q5pA-4s3jA:
20.05
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 136
TYR A 145
GLU A 122
ILE A 121
TYR A  99
 None
 1.50A 3q5pA-4wv3A:
undetectable		 3q5pA-4wv3A:
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ASN A 157
ILE A 272
TYR A 309
GLU A 344
ILE A 340
 None
 1.37A 3q5pA-4zohA:
undetectable		 3q5pA-4zohA:
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.
4zpd RNA-DIRECTED RNA
POLYMERASE

(Enterovirus B) 		PF00680
(RdRP_1) 		5 VAL A 313
ILE A 305
PHE A 322
ILE A 339
TYR A 335
 None
 1.26A 3q5pA-4zpdA:
undetectable		 3q5pA-4zpdA:
22.63
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.
5dd5 ANTI-HIV ANTIBODY
DH570.9 FAB HEAVY
CHAIN

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TYR H  52
ILE H  37
TYR H 100
PHE H  78
ILE H  51
 None
 1.49A 3q5pA-5dd5H:
undetectable		 3q5pA-5dd5H:
19.65
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.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		5 VAL A 329
ASN A 327
TYR A 485
PHE A 473
TYR A 476
 None
 1.36A 3q5pA-5e3xA:
undetectable		 3q5pA-5e3xA:
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PRO A 297
VAL A 295
TYR A 243
ILE A 238
TYR A 343
 None
 1.35A 3q5pA-5e7jA:
undetectable		 3q5pA-5e7jA:
21.75
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.
5f8v AMINOTRANSFERASE,
CLASS V FAMILY
PROTEIN

(Trichomonas
vaginalis) 		PF00266
(Aminotran_5) 		5 VAL A 212
TYR A 233
ILE A 187
ILE A 175
TYR A 152
 None
 1.49A 3q5pA-5f8vA:
undetectable		 3q5pA-5f8vA:
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.
5hx6 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 216
TYR A 228
ILE A 144
TYR A 192
GLU A 226
 None
 1.43A 3q5pA-5hx6A:
undetectable		 3q5pA-5hx6A:
23.69
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.
5i9g PENTATRICOPEPTIDE
REPEAT PROTEIN
DPPR-U8C2

(unidentified) 		PF12854
(PPR_1)
PF13041
(PPR_2) 		5 PRO C  84
VAL C  51
ILE C 117
TYR C  89
ILE C  58
 None
 1.39A 3q5pA-5i9gC:
undetectable		 3q5pA-5i9gC:
20.99
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 PRO A 608
ASN A 619
TYR A 607
TYR A 536
ILE A 522
 None
 1.29A 3q5pA-5ijlA:
undetectable		 3q5pA-5ijlA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		5 VAL A 478
ILE A 535
PHE A 396
ILE A 374
TYR A 401
 None
 1.31A 3q5pA-5l8sA:
undetectable		 3q5pA-5l8sA:
20.44
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.
5oo7 SLA2

(Chaetomium
thermophilum) 		no annotation 5 PRO A 197
TYR A 244
ILE A  73
PHE A 174
ILE A 171
 None
 1.30A 3q5pA-5oo7A:
0.8		 3q5pA-5oo7A:
13.33
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 5 ASN A 265
TYR A 353
PHE A 372
ILE A 354
TYR A 305
 None
 1.37A 3q5pA-5ww1A:
undetectable		 3q5pA-5ww1A:
13.45
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		5 VAL A 308
ILE A 300
PHE A 317
ILE A 334
TYR A 330
 None
 1.22A 3q5pA-5xe0A:
undetectable		 3q5pA-5xe0A:
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.
5zic -

(-) 		no annotation 5 PRO A 604
ILE A 571
PHE A 415
TYR A 566
GLU A 606
 None
 1.20A 3q5pA-5zicA:
undetectable		 3q5pA-5zicA:
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.
6f5o POLYMERASE BASIC
PROTEIN 2
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus) 		no annotation 5 VAL C  21
ASN C  16
TYR B 688
PHE B 182
GLU B 684
 None
 1.22A 3q5pA-6f5oC:
undetectable		 3q5pA-6f5oC:
16.19