SIMILAR PATTERNS OF AMINO ACIDS FOR 3APX_A_Z80A190_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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 PHE A 698
GLU A 769
LEU A 732
ARG A 337
ALA A 729
 None
 1.30A 3apxA-1c7tA:
0.0		 3apxA-1c7tA:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k8q TRIACYLGLYCEROL
LIPASE, GASTRIC

(Canis lupus) 		PF00561
(Abhydrolase_1) 		5 VAL A 366
PHE A 176
PHE A 160
LEU A 335
ALA A 327
 None
 0.94A 3apxA-1k8qA:
0.0		 3apxA-1k8qA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		5 THR A 208
PHE A 204
LEU A 338
GLU A 213
ALA A 231
 None
 1.46A 3apxA-1mdwA:
0.0		 3apxA-1mdwA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		5 PHE A 173
VAL A 171
THR A 168
LEU A 248
ALA A 258
 None
 1.46A 3apxA-1nsvA:
undetectable		 3apxA-1nsvA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o75 47 KDA MEMBRANE
ANTIGEN

(Treponema
pallidum) 		PF14888
(PBP-Tp47_c)
PF14889
(PBP-Tp47_a) 		5 VAL A 152
PHE A  67
PHE A 122
ALA A 135
PHE A  63
 None
 1.45A 3apxA-1o75A:
0.0		 3apxA-1o75A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 VAL A 329
PHE A 312
LEU A 313
ALA A  81
PHE A  42
 None
 1.48A 3apxA-1pc3A:
undetectable		 3apxA-1pc3A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, A
CHAIN PRECURSOR
COMPLEMENT C1Q
SUBCOMPONENT, B
CHAIN PRECURSOR
COMPLEMENT C1Q
SUBCOMPONENT, C
CHAIN PRECURSOR

(Homo sapiens) 		PF00386
(C1q) 		5 VAL C 208
PHE B 218
LEU C 180
PHE C 212
TYR A 138
 None
 1.40A 3apxA-1pk6C:
undetectable		 3apxA-1pk6C:
16.40
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 PHE A 423
LEU A 427
ARG A 600
ALA A 369
PHE A 370
 None
 1.46A 3apxA-1s5jA:
undetectable		 3apxA-1s5jA:
11.79
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 THR A 102
PHE A 197
GLU A  53
ARG A 184
GLU A 174
 None
 1.20A 3apxA-1sp8A:
undetectable		 3apxA-1sp8A:
15.96
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.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		5 VAL A 146
PHE A 486
GLU A 489
ALA A 213
PHE A 217
 None
 1.33A 3apxA-1sy7A:
2.5		 3apxA-1sy7A:
14.13
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.
1ucd RIBONUCLEASE MC

(Momordica
charantia) 		PF00445
(Ribonuclease_T2) 		5 PHE A   1
PHE A   4
LEU A  36
ALA A 100
PHE A  96
 None
 1.28A 3apxA-1ucdA:
undetectable		 3apxA-1ucdA:
17.73
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.
1vlp NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF04095
(NAPRTase) 		5 THR A 358
PHE A 357
PHE A 174
GLU A 176
LEU A 210
 None
 1.34A 3apxA-1vlpA:
undetectable		 3apxA-1vlpA:
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.
1vlp NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF04095
(NAPRTase) 		5 THR A 358
PHE A 357
PHE A 174
LEU A 210
ALA A 198
 None
 1.31A 3apxA-1vlpA:
undetectable		 3apxA-1vlpA:
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.
1wz9 MASPIN PRECURSOR

(Homo sapiens) 		PF00079
(Serpin) 		5 PHE A 372
VAL A 195
THR A 180
PHE A 175
GLU A 328
 CME  A 373 ( 4.7A)
CME  A 183 ( 4.0A)
None
None
None
 1.41A 3apxA-1wz9A:
undetectable		 3apxA-1wz9A:
19.06
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		5 VAL A 110
THR A 137
LEU A  33
ALA A  28
TYR A 122
 None
 1.49A 3apxA-1x0aA:
undetectable		 3apxA-1x0aA:
18.84
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.
1z2o INOSITOL
1,3,4-TRISPHOSPHATE
5/6-KINASE

(Entamoeba
histolytica) 		PF05770
(Ins134_P3_kin) 		5 VAL X 269
PHE X 305
PHE X  22
LEU X  13
TYR X 296
 None
 1.49A 3apxA-1z2oX:
undetectable		 3apxA-1z2oX:
19.08
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 5 PHE I 304
PHE I 257
GLU I 307
GLU I 214
PHE I 211
 None
 1.48A 3apxA-2gk1I:
undetectable		 3apxA-2gk1I:
17.41
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.
2h6o MAJOR OUTER ENVELOPE
GLYCOPROTEIN GP350

(Human
gammaherpesvirus
4) 		PF05109
(Herpes_BLLF1) 		5 PHE A  33
VAL A  46
PHE A  26
LEU A 125
ALA A 144
 None
 1.29A 3apxA-2h6oA:
undetectable		 3apxA-2h6oA:
15.96
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.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 VAL A 220
THR A 323
PHE A 471
LEU A 161
ALA A 202
 None
 1.48A 3apxA-2hi4A:
undetectable		 3apxA-2hi4A:
17.37
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 PHE A 225
THR A 203
PHE A 198
PHE A 179
GLU A 199
 None
None
None
None
FE  A   1 (-2.2A)
 1.22A 3apxA-2inpA:
undetectable		 3apxA-2inpA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		5 PHE A 392
VAL A 396
PHE A 497
LEU A 291
ALA A 344
 None
 1.25A 3apxA-2jgpA:
undetectable		 3apxA-2jgpA:
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 VAL A 380
THR A  93
PHE A  55
ALA A  49
PHE A 363
 None
 1.49A 3apxA-2p50A:
undetectable		 3apxA-2p50A:
15.89
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.
2qsf DNA REPAIR PROTEIN
RAD4

(Saccharomyces
cerevisiae) 		PF03835
(Rad4)
PF10403
(BHD_1)
PF10405
(BHD_3) 		5 PHE A 402
VAL A 405
PHE A 315
LEU A 225
TYR A 366
 None
 1.46A 3apxA-2qsfA:
undetectable		 3apxA-2qsfA:
14.34
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.
2qul D-TAGATOSE
3-EPIMERASE

(Pseudomonas
cichorii) 		PF01261
(AP_endonuc_2) 		5 PHE A 248
THR A  22
PHE A  19
LEU A  38
GLU A  35
 None
 1.33A 3apxA-2qulA:
undetectable		 3apxA-2qulA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		5 PHE A 212
PHE A 302
PHE A 298
LEU A 336
GLU A 268
 None
 1.34A 3apxA-2r9qA:
undetectable		 3apxA-2r9qA:
20.49
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.
2wm8 MAGNESIUM-DEPENDENT
PHOSPHATASE 1

(Homo sapiens) 		PF12689
(Acid_PPase) 		5 PHE A 105
VAL A 132
LEU A 151
ALA A   9
PHE A  11
 None
 1.47A 3apxA-2wm8A:
undetectable		 3apxA-2wm8A:
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 VAL A 440
PHE A 340
LEU A 465
ALA A 460
PHE A 452
 None
None
None
CL  A1486 ( 4.0A)
None
 1.41A 3apxA-2x98A:
undetectable		 3apxA-2x98A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 VAL A 143
PHE A 117
LEU A 174
ALA A  51
PHE A 390
 None
 1.18A 3apxA-2y8nA:
undetectable		 3apxA-2y8nA:
10.69
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.
2yyl 4-HYDROXYPHENYLACETA
TE-3-HYDROXYLASE

(Thermus
thermophilus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 VAL A 109
PHE A 252
LEU A 220
GLU A 191
PHE A 211
 None
 1.23A 3apxA-2yylA:
undetectable		 3apxA-2yylA:
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.
2yyt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Geobacillus
kaustophilus) 		PF00215
(OMPdecase) 		5 THR A  29
PHE A  26
PHE A  22
LEU A  11
TYR A 228
 None
 1.30A 3apxA-2yytA:
undetectable		 3apxA-2yytA:
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 PHE A 144
PHE A 116
LEU A  67
ALA A 101
PHE A  51
 None
 1.39A 3apxA-2zf8A:
undetectable		 3apxA-2zf8A:
21.07
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.
3adp LAMBDA-CRYSTALLIN

(Oryctolagus
cuniculus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 PHE A  25
VAL A   9
PHE A 106
PHE A 132
ALA A 144
 None
 1.43A 3apxA-3adpA:
undetectable		 3apxA-3adpA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3apu ALPHA-1-ACID
GLYCOPROTEIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		5 PHE A  32
PHE A  51
LEU A  62
PHE A 112
TYR A 127
 None
None
None
PG4  A 190 ( 3.9A)
None
 1.36A 3apxA-3apuA:
31.5		 3apxA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3apu ALPHA-1-ACID
GLYCOPROTEIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		10 PHE A  32
VAL A  41
THR A  47
PHE A  49
PHE A  51
GLU A  64
LEU A  79
ALA A  99
PHE A 112
TYR A 127
 None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.6A)
PG4  A 190 ( 4.1A)
None
PG4  A 190 (-4.1A)
None
PG4  A 190 ( 4.2A)
PG4  A 190 ( 3.9A)
None
 0.56A 3apxA-3apuA:
31.5		 3apxA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3apu ALPHA-1-ACID
GLYCOPROTEIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		10 PHE A  32
VAL A  41
THR A  47
PHE A  49
PHE A  51
GLU A  64
LEU A  79
ARG A  90
GLU A  92
TYR A 127
 None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.6A)
PG4  A 190 ( 4.1A)
None
PG4  A 190 (-4.1A)
None
PG4  A 190 (-4.3A)
None
None
 0.91A 3apxA-3apuA:
31.5		 3apxA-3apuA:
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.
3c7m THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA-LIKE

(Escherichia
coli) 		PF01323
(DSBA) 		5 PHE A 135
THR A 147
PHE A  25
ALA A  96
PHE A  72
 None
None
CL  A 206 ( 4.5A)
None
None
 1.46A 3apxA-3c7mA:
undetectable		 3apxA-3c7mA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 PHE A  26
VAL A  24
THR A 151
GLU A 152
PHE A  42
 None
 0.76A 3apxA-3fkjA:
undetectable		 3apxA-3fkjA:
19.01
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.
3jcl SPIKE GLYCOPROTEIN

(Murine
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 PHE A 213
VAL A 152
PHE A 123
LEU A 195
PHE A 204
 None
 1.39A 3apxA-3jclA:
undetectable		 3apxA-3jclA:
9.09
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.
3k17 LIN0012 PROTEIN

(Listeria
innocua) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 THR A 353
PHE A 217
PHE A 327
LEU A 272
ALA A  20
 None
 1.42A 3apxA-3k17A:
undetectable		 3apxA-3k17A:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		9 PHE A  32
VAL A  41
THR A  47
PHE A  49
PHE A  51
GLU A  64
LEU A  79
ALA A  99
TYR A 127
 None
None
None
JIM  A 193 (-3.8A)
None
None
None
JIM  A 193 ( 4.0A)
None
 0.84A 3apxA-3kq0A:
27.6		 3apxA-3kq0A:
86.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		9 PHE A  32
VAL A  41
THR A  47
PHE A  49
PHE A  51
GLU A  64
LEU A  79
ARG A  90
TYR A 127
 None
None
None
JIM  A 193 (-3.8A)
None
None
None
JIM  A 193 (-4.3A)
None
 0.86A 3apxA-3kq0A:
27.6		 3apxA-3kq0A:
86.24
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 PHE A 410
PHE A 326
LEU A 332
ALA A 382
PHE A 441
 None
 1.48A 3apxA-3m6xA:
undetectable		 3apxA-3m6xA:
17.89
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.
3myd FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Helicobacter
pylori) 		PF00771
(FHIPEP) 		5 VAL A 573
PHE A 624
GLU A 580
LEU A 712
ARG A 695
 None
 1.48A 3apxA-3mydA:
undetectable		 3apxA-3mydA:
17.82
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		5 PHE A 298
VAL A 302
LEU A 159
ALA A 268
PHE A 334
 None
 1.33A 3apxA-3pt1A:
undetectable		 3apxA-3pt1A:
18.30
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 PHE A 273
VAL A 311
PHE A 609
LEU A 403
TYR A 343
 None
 1.25A 3apxA-3q3hA:
undetectable		 3apxA-3q3hA:
15.62
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.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		5 VAL A 172
PHE A 186
ALA A 270
PHE A 266
TYR A 261
 None
 1.45A 3apxA-3smaA:
undetectable		 3apxA-3smaA:
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.
3tzg HYPOTHETICAL PROTEIN
BVU_2266

(Bacteroides
vulgatus) 		no annotation 5 VAL A  87
THR A  61
LEU A 190
ALA A 194
PHE A 205
 None
 1.44A 3apxA-3tzgA:
undetectable		 3apxA-3tzgA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 VAL A 649
PHE A 439
PHE A 511
LEU A 634
TYR A 540
 None
 1.36A 3apxA-3ue1A:
undetectable		 3apxA-3ue1A:
13.00
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.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		5 VAL A  63
PHE A 102
PHE A  98
LEU A 107
ALA A  14
 None
 1.33A 3apxA-3vpzA:
undetectable		 3apxA-3vpzA:
21.30
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		5 PHE A 295
VAL A  45
PHE A 325
ALA A 246
PHE A 314
 None
 1.26A 3apxA-3wx7A:
undetectable		 3apxA-3wx7A:
17.66
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.
4big UNCHARACTERIZED
LIPOPROTEIN
SAOUHSC_00053

(Staphylococcus
aureus) 		PF04507
(DUF576) 		5 PHE A 153
PHE A 232
LEU A  41
ALA A 157
PHE A 156
 None
 1.50A 3apxA-4bigA:
undetectable		 3apxA-4bigA:
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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 PHE A 162
PHE A  66
PHE A 201
ALA A 170
PHE A 182
 None
VKC  A1294 ( 4.1A)
None
VKC  A1294 (-3.5A)
VKC  A1294 (-4.5A)
 1.49A 3apxA-4ccwA:
undetectable		 3apxA-4ccwA:
19.41
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.
4e2p CYTOCHROME P450
107B1 (P450CVIIB1)

(Streptomyces
himastatinicus) 		PF00067
(p450) 		5 VAL A 389
PHE A 367
LEU A 113
ALA A 127
PHE A 122
 None
 1.24A 3apxA-4e2pA:
undetectable		 3apxA-4e2pA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 THR A 451
PHE A 365
ARG A 304
ALA A 402
TYR A 386
 None
 1.29A 3apxA-4f7aA:
undetectable		 3apxA-4f7aA:
15.82
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 THR A 167
PHE A 166
GLU A 173
GLU A 101
TYR A 165
 None
 1.45A 3apxA-4gl3A:
undetectable		 3apxA-4gl3A:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4heh APPA PROTEIN

(Rhodobacter
sphaeroides) 		no annotation 5 PHE A 384
VAL A 328
THR A 304
LEU A 260
ALA A 225
 None
 1.24A 3apxA-4hehA:
undetectable		 3apxA-4hehA:
20.70
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		5 PHE A 384
VAL A 328
THR A 304
LEU A 260
ALA A 225
 None
 1.22A 3apxA-4hh1A:
undetectable		 3apxA-4hh1A:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 PHE A 179
VAL A  40
GLU A  34
ALA A 162
PHE A  67
 None
 1.46A 3apxA-4hkmA:
undetectable		 3apxA-4hkmA:
16.95
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.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 VAL A 218
THR A 323
PHE A 470
LEU A 159
ALA A 200
 None
 1.44A 3apxA-4i8vA:
undetectable		 3apxA-4i8vA:
16.87
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 PHE A 552
PHE A 656
LEU A 712
ALA A 738
PHE A 733
 None
 1.32A 3apxA-4j3bA:
undetectable		 3apxA-4j3bA:
12.78
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 143
GLU A 135
LEU A 132
ARG A 157
GLU A 160
 None
 1.46A 3apxA-4j3zA:
undetectable		 3apxA-4j3zA:
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.
4k8w LEPA

(Streptococcus
pyogenes) 		PF10502
(Peptidase_S26) 		5 PHE A 127
LEU A 103
ALA A  89
PHE A 137
TYR A 129
 None
 1.44A 3apxA-4k8wA:
undetectable		 3apxA-4k8wA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n31 SIPA

(Streptococcus
pyogenes) 		PF10502
(Peptidase_S26) 		5 PHE A 127
LEU A 103
ALA A  89
PHE A 137
TYR A 129
 None
 1.45A 3apxA-4n31A:
undetectable		 3apxA-4n31A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n88 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 GLU B  55
LEU B  65
ARG B  63
GLU B 123
ALA B 133
 None
 1.33A 3apxA-4n88B:
undetectable		 3apxA-4n88B:
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.
4nj5 PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH9

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 PHE A 218
VAL A 318
THR A 461
LEU A 559
ALA A 186
 None
 1.46A 3apxA-4nj5A:
undetectable		 3apxA-4nj5A:
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		5 PHE A 299
VAL A  49
PHE A 329
ALA A 250
PHE A 318
 None
 1.27A 3apxA-4nz5A:
undetectable		 3apxA-4nz5A:
17.49
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.
4pch VP1

(Human
polyomavirus 7) 		PF00718
(Polyoma_coat) 		5 VAL A 145
THR A 199
PHE A 277
LEU A  42
ALA A 245
 None
 1.29A 3apxA-4pchA:
undetectable		 3apxA-4pchA:
20.58
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.
4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7

(Colwellia
psychrerythraea) 		PF03480
(DctP) 		5 PHE A 304
LEU A 188
ALA A 214
PHE A 163
TYR A 236
 None
 1.29A 3apxA-4petA:
undetectable		 3apxA-4petA:
18.29
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.
4raa PUTATIVE EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF17170
(DUF5128) 		5 PHE A 241
VAL A 289
ALA A 238
PHE A 218
TYR A 211
 None
 1.30A 3apxA-4raaA:
undetectable		 3apxA-4raaA:
19.40
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 5 VAL A 202
PHE A 310
PHE A 318
LEU A 322
ALA A 297
 HEM  A 807 (-4.6A)
None
None
None
None
 1.41A 3apxA-4rkmA:
undetectable		 3apxA-4rkmA:
12.67
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.
4xq6 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Mycobacterium
tuberculosis) 		PF01180
(DHO_dh) 		5 PHE A  58
GLU A  87
LEU A 310
ALA A 287
PHE A  54
 None
 1.41A 3apxA-4xq6A:
undetectable		 3apxA-4xq6A:
14.70
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.
4yeh LECTIN

(Cicer arietinum) 		PF00045
(Hemopexin) 		5 PHE A 161
PHE A 135
LEU A 187
ALA A 178
TYR A 133
 None
 1.41A 3apxA-4yehA:
undetectable		 3apxA-4yehA:
22.95
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 THR A 237
GLU A 239
LEU A 278
ALA A 287
PHE A 289
 None
 1.50A 3apxA-5cniA:
undetectable		 3apxA-5cniA:
17.69
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.
5e8y TGF-BETA RECEPTOR
TYPE-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 PHE A 474
VAL A 491
GLU A 428
ARG A 528
ALA A 451
 None
 1.19A 3apxA-5e8yA:
undetectable		 3apxA-5e8yA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 GLU A 482
LEU A 397
ARG A 396
GLU A 392
ALA A 493
 None
 1.38A 3apxA-5ehkA:
undetectable		 3apxA-5ehkA:
9.14
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 VAL A 261
PHE A 402
LEU A 233
PHE A 265
TYR A  51
 None
 1.41A 3apxA-5hkjA:
undetectable		 3apxA-5hkjA:
15.02
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.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 THR A 228
PHE A 381
GLU A 101
ALA A  91
PHE A 153
 NDP  A 502 (-3.9A)
NDP  A 502 (-4.0A)
None
None
NDP  A 502 (-4.4A)
 0.89A 3apxA-5j6bA:
undetectable		 3apxA-5j6bA:
15.23
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 THR A 228
PHE A 381
GLU A 101
ALA A  91
PHE A 153
 NDP  A 500 (-4.0A)
NDP  A 500 (-3.2A)
None
None
NDP  A 500 (-3.9A)
 0.97A 3apxA-5jryA:
undetectable		 3apxA-5jryA:
16.70
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.
5tvd TM16

(Trichuris muris) 		PF01161
(PBP) 		5 VAL A   7
LEU A  45
GLU A  40
ALA A  31
PHE A 124
 None
 1.34A 3apxA-5tvdA:
undetectable		 3apxA-5tvdA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u24 PUTATIVE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		5 PHE A  39
PHE A  43
LEU A 244
ALA A 184
PHE A 180
 None
 1.48A 3apxA-5u24A:
undetectable		 3apxA-5u24A:
17.35
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.
5vmm IRON-REGULATED CELL
WALL-ANCHORED
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 PHE H 225
VAL H 200
THR H 252
ALA H 174
PHE H 153
 None
 1.33A 3apxA-5vmmH:
undetectable		 3apxA-5vmmH:
19.80
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.
5wl7 ENGINEERED CHALCONE
ISOMERASE ANCCHI*

(unidentified) 		no annotation 5 VAL A 195
PHE A 133
LEU A 158
ALA A  91
TYR A 104
 None
None
None
None
CL  A 302 (-4.7A)
 1.30A 3apxA-5wl7A:
undetectable		 3apxA-5wl7A:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y30 LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A  90
PHE A  87
PHE A 111
LEU A 120
PHE A  98
 None
 1.46A 3apxA-5y30A:
undetectable		 3apxA-5y30A:
16.85
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 THR A 561
PHE A 560
PHE A 490
GLU A 486
GLU A 603
 None
 1.34A 3apxA-6arxA:
undetectable		 3apxA-6arxA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c3b UNCHARACTERIZED
PROTEIN

(Streptomyces
cattleya) 		no annotation 5 PHE A  73
PHE A 181
LEU A 174
ALA A 202
PHE A 199
 None
 1.34A 3apxA-6c3bA:
undetectable		 3apxA-6c3bA:
16.49
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.
6dk2 -

(-) 		no annotation 5 PHE A 205
LEU A 209
ARG A 212
GLU A 493
ALA A 134
 None
 1.49A 3apxA-6dk2A:
undetectable		 3apxA-6dk2A:
undetectable