SIMILAR PATTERNS OF AMINO ACIDS FOR 3T3Q_A_9PLA501_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 PHE A 129
PHE A 127
ALA A 111
THR A 107
ILE A  60
 None
None
None
None
NAD  A 380 (-3.9A)
 1.21A 3t3qA-1bxkA:
undetectable		 3t3qA-1bxkA:
20.65
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.
1en4 MANGANESE SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 VAL A 192
PHE A 188
ALA A 197
ILE A 102
PHE A 112
 None
 1.34A 3t3qA-1en4A:
undetectable		 3t3qA-1en4A:
17.26
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.
1f5n INTERFERON-INDUCED
GUANYLATE-BINDING
PROTEIN 1

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		5 PHE A 230
PHE A 116
ALA A 119
THR A  98
ILE A  43
 None
 1.30A 3t3qA-1f5nA:
undetectable		 3t3qA-1f5nA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f9k ACIDIC LECTIN

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 PHE A  75
ASN A 162
PHE A 180
ALA A 179
ILE A 138
 None
 1.30A 3t3qA-1f9kA:
undetectable		 3t3qA-1f9kA:
19.88
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.
1f9k ACIDIC LECTIN

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 PHE A  75
PHE A 180
ALA A 179
ILE A 138
PHE A 124
 None
 1.24A 3t3qA-1f9kA:
undetectable		 3t3qA-1f9kA:
19.88
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.
1k5c ENDOPOLYGALACTURONAS
E

(Chondrostereum
purpureum) 		PF00295
(Glyco_hydro_28) 		5 PHE A  77
PHE A  51
PHE A  61
ILE A 136
PHE A 112
 None
 1.25A 3t3qA-1k5cA:
undetectable		 3t3qA-1k5cA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k9o ALASERPIN

(Manduca sexta) 		PF00079
(Serpin) 		5 VAL I  92
ASN I  89
PHE I  85
ILE I 376
PHE I  48
 None
 1.18A 3t3qA-1k9oI:
0.0		 3t3qA-1k9oI:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 PHE A 128
ALA A 132
THR A 135
ILE A  53
PHE A  77
 None
 1.49A 3t3qA-1ne2A:
undetectable		 3t3qA-1ne2A:
18.70
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.
1rro RAT ONCOMODULIN

(Rattus rattus) 		PF13499
(EF-hand_7) 		5 PHE A  29
VAL A 106
PHE A  30
ILE A   2
PHE A  70
 None
 1.40A 3t3qA-1rroA:
undetectable		 3t3qA-1rroA:
12.53
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.
1ttx ONCOMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 PHE A  30
VAL A 107
PHE A  31
ILE A  51
PHE A  67
 None
 1.13A 3t3qA-1ttxA:
undetectable		 3t3qA-1ttxA:
12.61
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		5 PHE A 423
VAL A 396
ALA A 369
ILE A 391
PHE A 436
 None
 1.50A 3t3qA-1w18A:
undetectable		 3t3qA-1w18A:
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.
1xuq SUPEROXIDE DISMUTASE

(Bacillus
anthracis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 VAL A 190
PHE A 186
ALA A 195
ILE A 106
PHE A 116
 None
 1.30A 3t3qA-1xuqA:
undetectable		 3t3qA-1xuqA:
16.63
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.
1xwm PHOSPHATE UPTAKE
REGULATOR

(Geobacillus
stearothermophilus) 		PF01895
(PhoU) 		5 ASN A  99
PHE A  96
ALA A  97
THR A  23
ILE A  52
 None
 1.35A 3t3qA-1xwmA:
undetectable		 3t3qA-1xwmA:
17.20
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.
2ccl CELLULOSOMAL
SCAFFOLDING PROTEIN
A

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 PHE A  40
PHE A 136
PHE A  27
ILE A  54
PHE A  82
 None
 1.47A 3t3qA-2cclA:
undetectable		 3t3qA-2cclA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5r CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		5 PHE A 188
PHE A 189
ALA A 137
THR A 133
ILE A  74
 None
 1.41A 3t3qA-2d5rA:
undetectable		 3t3qA-2d5rA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fia ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 PHE A 126
PHE A 127
PHE A  81
ALA A  82
ILE A  88
 None
 1.29A 3t3qA-2fiaA:
undetectable		 3t3qA-2fiaA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fu0 CYCLOPHILIN,
PUTATIVE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		5 PHE A  33
VAL A  92
PHE A 106
ILE A 136
PHE A  47
 None
 1.24A 3t3qA-2fu0A:
undetectable		 3t3qA-2fu0A:
15.85
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 PHE A 102
PHE A 222
PHE A 161
ALA A 190
ILE A 210
 None
 1.11A 3t3qA-2glfA:
undetectable		 3t3qA-2glfA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 PHE A 443
PHE A 475
ALA A 472
ILE A 573
PHE A 511
 None
 1.50A 3t3qA-2owoA:
undetectable		 3t3qA-2owoA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		7 PHE A 107
PHE A 111
VAL A 117
PHE A 118
THR A 305
ILE A 366
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
None
 0.53A 3t3qA-2pg6A:
64.4		 3t3qA-2pg6A:
98.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		5 PHE A 243
PHE A 197
ALA A 200
ILE A 205
PHE A 207
 None
 1.36A 3t3qA-2qzaA:
undetectable		 3t3qA-2qzaA:
22.00
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PHE A 151
VAL A 147
ALA A  81
THR A  14
PHE A  63
 None
 1.13A 3t3qA-2rjtA:
undetectable		 3t3qA-2rjtA:
21.76
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.
2woo ATPASE GET3

(Schizosaccharomyces
pombe) 		PF02374
(ArsA_ATPase) 		5 PHE A 157
VAL A 212
PHE A 216
ILE A 136
PHE A 146
 None
 1.39A 3t3qA-2wooA:
undetectable		 3t3qA-2wooA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2woo ATPASE GET3

(Schizosaccharomyces
pombe) 		PF02374
(ArsA_ATPase) 		5 VAL A 212
PHE A 216
PHE A 129
ILE A 136
PHE A 146
 None
 1.11A 3t3qA-2wooA:
undetectable		 3t3qA-2wooA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		5 PHE A 382
ASN A 256
ALA A 265
THR A 268
ILE A 284
 None
 1.29A 3t3qA-2xsbA:
undetectable		 3t3qA-2xsbA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywo PROBABLE
THIOL-DISULFIDE
ISOMERASE/THIOREDOXI
N

(Thermus
thermophilus) 		PF00578
(AhpC-TSA) 		5 PHE A 121
PHE A 123
ALA A 111
ILE A  71
PHE A  40
 None
 1.42A 3t3qA-2ywoA:
undetectable		 3t3qA-2ywoA:
16.77
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.
3cgl GFP-LIKE FLUORESCENT
CHROMOPROTEIN
DSFP483

(Discosoma
striata) 		PF01353
(GFP) 		5 PHE A  22
PHE A  27
PHE A 124
THR A 140
PHE A 129
 None
 1.34A 3t3qA-3cglA:
undetectable		 3t3qA-3cglA:
17.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 106
PHE A 116
ALA A 299
THR A 303
PHE A 478
 None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
None
 1.28A 3t3qA-3e4eA:
56.7		 3t3qA-3e4eA:
50.94
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.
3e9p PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF12134
(PRP8_domainIV) 		5 PHE A2005
PHE A1844
THR A1959
ILE A1934
PHE A1851
 None
 1.17A 3t3qA-3e9pA:
undetectable		 3t3qA-3e9pA:
18.75
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.
3hlm ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Mus musculus) 		PF00155
(Aminotran_1_2) 		5 PHE A 241
PHE A 291
ALA A 137
ILE A 168
PHE A 169
 None
 1.12A 3t3qA-3hlmA:
undetectable		 3t3qA-3hlmA:
23.03
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.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 PHE A 199
ASN A 105
PHE A 103
ALA A 104
PHE A 115
 None
 1.50A 3t3qA-3i6uA:
undetectable		 3t3qA-3i6uA:
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.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		5 VAL A 208
ALA A 163
THR A 112
ILE A  83
PHE A  79
 None
 1.07A 3t3qA-3k2wA:
undetectable		 3t3qA-3k2wA:
21.14
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.
3ljf IRON SUPEROXIDE
DISMUTASE

(Pseudoalteromonas
haloplanktis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 VAL A 182
PHE A 178
ALA A 187
ILE A  96
PHE A 106
 None
 1.24A 3t3qA-3ljfA:
undetectable		 3t3qA-3ljfA:
17.14
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 PHE A 471
PHE A 474
PHE A 289
ILE A 550
PHE A 554
 None
 1.27A 3t3qA-3lvvA:
undetectable		 3t3qA-3lvvA:
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.
3muq UNCHARACTERIZED
CONSERVED PROTEIN

(Vibrio
parahaemolyticus) 		PF12849
(PBP_like_2) 		5 VAL A  77
ALA A  68
THR A  82
ILE A 223
PHE A  91
 None
 1.48A 3t3qA-3muqA:
undetectable		 3t3qA-3muqA:
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.
3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		no annotation 5 PHE B 555
PHE B 603
VAL B 468
PHE B 557
ILE B 522
 None
 1.38A 3t3qA-3nr8B:
undetectable		 3t3qA-3nr8B:
21.14
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.
3o53 PROTEIN LRIM1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 PHE A 264
PHE A 257
ASN A 283
PHE A 280
THR A 275
 None
 1.45A 3t3qA-3o53A:
undetectable		 3t3qA-3o53A:
21.80
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.
3t6o SULFATE
TRANSPORTER/ANTISIGM
A-FACTOR ANTAGONIST
STAS

(Planctopirus
limnophila) 		no annotation 5 VAL A  48
PHE A  81
ALA A  39
THR A  35
ILE A   4
 None
 1.05A 3t3qA-3t6oA:
undetectable		 3t3qA-3t6oA:
13.17
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.
3tdw GENTAMICIN
RESISTANCE PROTEIN

(Enterococcus
gallinarum) 		PF01636
(APH) 		5 PHE A  44
PHE A  89
PHE A  46
PHE A  16
ILE A  21
 None
 1.40A 3t3qA-3tdwA:
undetectable		 3t3qA-3tdwA:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 PHE A 108
PHE A 115
ALA A 298
THR A 302
ILE A 363
 None
None
CPZ  A 501 (-3.5A)
CPZ  A 501 ( 3.7A)
HEM  A 500 ( 3.9A)
 0.48A 3t3qA-3tk3A:
56.8		 3t3qA-3tk3A:
56.39
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.
3wz4 DOTI

(Legionella
pneumophila) 		PF11393
(T4BSS_DotI_IcmL) 		5 PHE A 202
PHE A 116
PHE A 108
PHE A  90
ALA A  88
 None
None
None
MRD  A 502 (-4.1A)
None
 1.28A 3t3qA-3wz4A:
undetectable		 3t3qA-3wz4A:
12.18
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 PHE B2005
PHE B1844
THR B1959
ILE B1934
PHE B1851
 None
 1.12A 3t3qA-3zefB:
undetectable		 3t3qA-3zefB:
15.01
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.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		5 PHE A  14
PHE A  21
VAL A  53
PHE A  23
PHE A 262
 None
 1.33A 3t3qA-4aweA:
undetectable		 3t3qA-4aweA:
20.40
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.
4czd PUTATIVE
TRANSCRIPTIONAL
REGULATOR, ASNC
FAMILY

(Desulfovibrio
desulfuricans) 		PF13404
(HTH_AsnC-type)
no annotation 		5 PHE B 158
VAL B  12
PHE B   5
ILE B  54
PHE A  79
 None
 1.27A 3t3qA-4czdB:
undetectable		 3t3qA-4czdB:
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.
4dag FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		PF00523
(Fusion_gly) 		5 PHE A 334
PHE A 276
ASN A 247
ALA A 249
ILE A 217
 None
 1.30A 3t3qA-4dagA:
undetectable		 3t3qA-4dagA:
21.26
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		5 PHE B 172
PHE B 139
ALA B 225
THR B 227
ILE B 100
 None
 1.45A 3t3qA-4dhiB:
undetectable		 3t3qA-4dhiB:
18.09
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.
4dm4 CELL DIVISION
CONTROL PROTEIN 73

(Saccharomyces
cerevisiae) 		PF05179
(CDC73_C) 		5 PHE A 110
ASN A  21
PHE A  25
ILE A   7
PHE A  82
 None
 1.38A 3t3qA-4dm4A:
undetectable		 3t3qA-4dm4A:
15.30
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.
4fch OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		5 PHE A 263
PHE A 280
VAL A 239
ILE A 230
PHE A 222
 None
 1.42A 3t3qA-4fchA:
undetectable		 3t3qA-4fchA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fem OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		5 PHE A 263
PHE A 280
VAL A 239
ILE A 230
PHE A 222
 None
 1.44A 3t3qA-4femA:
undetectable		 3t3qA-4femA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		5 PHE A 153
PHE A 479
ASN A 162
THR A 213
ILE A 241
 None
 1.30A 3t3qA-4fnmA:
undetectable		 3t3qA-4fnmA:
22.61
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 PHE A 348
VAL A 364
PHE A 354
PHE A  98
PHE A 344
 None
 1.48A 3t3qA-4fzvA:
undetectable		 3t3qA-4fzvA:
22.78
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.
4gl9 SUPPRESSOR OF
CYTOKINE SIGNALING
3,SUPPRESSOR OF
CYTOKINE SIGNALING
3,SUPPRESSOR OF
CYTOKINE SIGNALING
3,SUPPRESSOR OF
CYTOKINE SIGNALING 3
TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 PHE E  79
PHE E  80
VAL E  38
ILE A1079
PHE E  25
 None
 1.45A 3t3qA-4gl9E:
undetectable		 3t3qA-4gl9E:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gmj CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		5 PHE B 188
PHE B 189
ALA B 137
THR B 133
ILE B  74
 None
None
None
CL  B 304 ( 4.7A)
CL  B 304 (-4.3A)
 1.38A 3t3qA-4gmjB:
undetectable		 3t3qA-4gmjB:
20.55
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2

(Pseudomonas
phage phi12) 		no annotation 5 PHE A 650
PHE A 313
ALA A 314
ILE A 185
PHE A 646
 None
 1.30A 3t3qA-4iegA:
undetectable		 3t3qA-4iegA:
23.47
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		5 ASN A 584
PHE A 583
THR A 613
ILE A 610
PHE A 656
 None
HEC  A 808 (-4.1A)
HEC  A 808 (-4.6A)
None
None
 1.33A 3t3qA-4lm8A:
undetectable		 3t3qA-4lm8A:
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.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 PHE A 450
ASN A 408
ALA A 410
ILE A 455
PHE A 462
 None
 1.25A 3t3qA-4oj5A:
undetectable		 3t3qA-4oj5A:
20.32
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.
4qp0 ENDO-BETA-MANNANASE

(Rhizomucor
miehei) 		PF00150
(Cellulase) 		5 PHE A  12
PHE A  19
VAL A  51
PHE A  21
PHE A 252
 None
 1.38A 3t3qA-4qp0A:
undetectable		 3t3qA-4qp0A:
20.56
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.
4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)

([Eubacterium]
rectale) 		PF13416
(SBP_bac_8) 		5 PHE A 189
VAL A 185
PHE A 235
ILE A 289
PHE A 198
 None
 1.46A 3t3qA-4uacA:
undetectable		 3t3qA-4uacA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v33 POLYSACCHARIDE
DEACETYLASE-LIKE
PROTEIN

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		5 PHE A 204
ASN A 213
PHE A 170
ILE A 258
PHE A 259
 None
 1.50A 3t3qA-4v33A:
undetectable		 3t3qA-4v33A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 PHE A 599
PHE A 602
VAL A 257
PHE A 545
PHE A 595
 None
 1.31A 3t3qA-5az4A:
undetectable		 3t3qA-5az4A:
19.63
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.
5btr NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		5 PHE A 302
PHE A 413
ALA A 369
ILE A 387
PHE A 310
 None
 1.33A 3t3qA-5btrA:
undetectable		 3t3qA-5btrA:
22.56
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.
5dxf TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 PHE A 259
PHE A 226
ALA A 254
ILE A 523
PHE A 519
 None
 1.45A 3t3qA-5dxfA:
undetectable		 3t3qA-5dxfA:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		6 PHE A 108
VAL A 114
PHE A 115
ALA A 298
THR A 302
ILE A 363
 None
HEM  A 501 (-3.5A)
None
HEM  A 501 ( 3.1A)
CPZ  A 502 ( 4.0A)
HEM  A 501 (-4.1A)
 0.83A 3t3qA-5e0eA:
51.7		 3t3qA-5e0eA:
56.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		5 PHE A 115
PHE A 297
ALA A 298
THR A 302
ILE A 363
 None
None
HEM  A 501 ( 3.1A)
CPZ  A 502 ( 4.0A)
HEM  A 501 (-4.1A)
 1.10A 3t3qA-5e0eA:
51.7		 3t3qA-5e0eA:
56.78
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.
5gkm AT5G51070/K3K7_27

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 PHE A 176
PHE A  83
PHE A  80
ALA A  90
PHE A 168
 None
 1.46A 3t3qA-5gkmA:
undetectable		 3t3qA-5gkmA:
17.61
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		5 PHE A 781
VAL A 754
ASN A 749
ALA A 748
ILE A 692
 None
 1.28A 3t3qA-5kdsA:
undetectable		 3t3qA-5kdsA:
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 PHE A  69
ASN A 358
ALA A 356
ILE A  92
PHE A  59
 None
 1.39A 3t3qA-5livA:
28.5		 3t3qA-5livA:
25.71
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.
5me4 PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN HTXB

(Pseudomonas
stutzeri) 		no annotation 5 VAL A  89
PHE A 243
THR A  25
ILE A  15
PHE A  33
 None
 1.23A 3t3qA-5me4A:
undetectable		 3t3qA-5me4A:
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 PHE A 555
PHE A 603
VAL A 468
PHE A 557
ILE A 522
 None
 1.47A 3t3qA-5okoA:
undetectable		 3t3qA-5okoA:
23.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 PHE A 108
PHE A 115
PHE A 297
ALA A 298
THR A 302
 9ZJ  A 502 (-4.4A)
9ZJ  A 502 (-4.7A)
9ZJ  A 502 ( 4.5A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
 0.53A 3t3qA-5wbgA:
56.5		 3t3qA-5wbgA:
66.25
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.
5x4s SPIKE GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF16451
(Spike_NTD) 		5 PHE A 103
PHE A  83
ASN A 189
PHE A 187
ILE A 125
 None
 1.49A 3t3qA-5x4sA:
undetectable		 3t3qA-5x4sA:
19.33
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 PHE A 250
PHE A 263
VAL A 368
PHE A 370
PHE A 238
 None
 1.42A 3t3qA-6bqcA:
undetectable		 3t3qA-6bqcA:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 PHE A 353
PHE A 167
ALA A 163
THR A 160
PHE A 323
 None
 1.48A 3t3qA-6d0nA:
1.9		 3t3qA-6d0nA:
11.23
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.
6dft -

(-) 		no annotation 5 PHE B 150
PHE B 146
ALA B  99
THR B  97
ILE B  75
 None
None
NAD  B 500 (-3.2A)
None
None
 1.00A 3t3qA-6dftB:
undetectable		 3t3qA-6dftB:
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.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 PHE A  19
ASN A 308
ALA A 306
ILE A  42
PHE A   9
 None
 1.41A 3t3qA-6f85A:
28.7		 3t3qA-6f85A:
9.45