SIMILAR PATTERNS OF AMINO ACIDS FOR 4QKN_A_JMSA602

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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE


(Homo sapiens)
PF00106
(adh_short)
4 PRO A 187
VAL A 225
SER A 222
HIS A 221
EST  A 350 (-4.1A)
EST  A 350 (-4.7A)
None
None
1.05A 4qknA-1a27A:
0.0
4qknA-1a27A:
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.
1gl6 ATPASE

(Escherichia
coli)
PF10412
(TrwB_AAD_bind)
4 LEU A 353
ARG A 153
LEU A 313
SER A 339
None
1.19A 4qknA-1gl6A:
0.0
4qknA-1gl6A:
23.41
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.
1nr9 PROTEIN YCGM

(Escherichia
coli)
PF01557
(FAA_hydrolase)
4 THR A 192
PRO A 193
LEU A 100
SER A 149
None
0.84A 4qknA-1nr9A:
undetectable
4qknA-1nr9A:
19.29
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.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens)
PF13855
(LRR_8)
4 LEU A 255
THR A 230
ARG A 206
HIS A 210
None
1.12A 4qknA-1oznA:
undetectable
4qknA-1oznA:
21.62
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.
1s4e GALACTOKINASE

(Pyrococcus
furiosus)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg)
4 THR A 223
LEU A 214
VAL A 242
SER A 239
None
1.22A 4qknA-1s4eA:
0.0
4qknA-1s4eA:
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.
1txg GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]


(Archaeoglobus
fulgidus)
PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C)
4 THR A 116
LEU A 235
VAL A 114
SER A 113
None
1.07A 4qknA-1txgA:
undetectable
4qknA-1txgA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vc2 GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE


(Thermus
thermophilus)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
4 LEU A 325
LEU A 144
VAL A 331
HIS A 142
None
0.99A 4qknA-1vc2A:
0.0
4qknA-1vc2A:
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.
1vpd TARTRONATE
SEMIALDEHYDE
REDUCTASE


(Salmonella
enterica)
PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11)
4 LEU A 217
THR A 215
VAL A 179
HIS A 279
None
None
TLA  A 501 ( 4.7A)
TLA  A 501 (-4.8A)
0.88A 4qknA-1vpdA:
0.0
4qknA-1vpdA:
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.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima)
PF01430
(HSP33)
4 LEU A  62
THR A  61
VAL A 126
SER A 127
None
0.93A 4qknA-1vq0A:
0.0
4qknA-1vq0A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xez HEMOLYSIN

(Vibrio cholerae)
PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec)
4 LEU A 550
THR A 542
ARG A 535
LEU A 571
None
1.21A 4qknA-1xezA:
undetectable
4qknA-1xezA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkk DESIGNED ANKYRIN
REPEAT INHIBITOR
AR_3A


(synthetic
construct)
PF12796
(Ank_2)
PF13637
(Ank_4)
4 LEU B  86
THR B  82
LEU B 119
SER B  79
None
0.76A 4qknA-2bkkB:
undetectable
4qknA-2bkkB:
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.
2c40 INOSINE-URIDINE
PREFERRING
NUCLEOSIDE HYDROLASE
FAMILY PROTEIN


(Bacillus
anthracis)
PF01156
(IU_nuc_hydro)
4 LEU A 122
VAL A  32
SER A  33
HIS A   8
None
0.89A 4qknA-2c40A:
undetectable
4qknA-2c40A:
20.80
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.
2eo3 CRK-LIKE PROTEIN

(Homo sapiens)
PF00017
(SH2)
4 LEU A 105
VAL A  65
SER A  66
HIS A  67
None
0.98A 4qknA-2eo3A:
undetectable
4qknA-2eo3A:
13.19
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.
2h0b NEUREXIN-1-ALPHA

(Bos taurus)
PF02210
(Laminin_G_2)
4 LEU A 320
LEU A 322
VAL A 340
SER A 341
None
0.97A 4qknA-2h0bA:
undetectable
4qknA-2h0bA:
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.
2lqn CRK-LIKE PROTEIN

(Homo sapiens)
PF00017
(SH2)
PF00018
(SH3_1)
PF07653
(SH3_2)
4 LEU A  98
VAL A  58
SER A  59
HIS A  60
None
0.98A 4qknA-2lqnA:
undetectable
4qknA-2lqnA:
20.62
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.
2n8y ALPHA-ACTININ-1

(Homo sapiens)
PF00036
(EF-hand_1)
PF08726
(EFhand_Ca_insen)
4 LEU A 877
THR A 844
VAL A 873
SER A 872
None
1.12A 4qknA-2n8yA:
undetectable
4qknA-2n8yA:
15.03
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.
2pfv EXOCYST COMPLEX
COMPONENT EXO70


(Saccharomyces
cerevisiae)
PF03081
(Exo70)
4 LEU A 330
THR A 334
VAL A 309
SER A 311
None
1.04A 4qknA-2pfvA:
4.5
4qknA-2pfvA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qmx PREPHENATE
DEHYDRATASE


(Chlorobaculum
tepidum)
PF00800
(PDT)
4 LEU A  86
LEU A 163
VAL A  93
HIS A 116
None
1.20A 4qknA-2qmxA:
undetectable
4qknA-2qmxA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv5 UNCHARACTERIZED
PROTEIN ATU2773


(Agrobacterium
fabrum)
PF04748
(Polysacc_deac_2)
4 LEU A 301
PRO A 324
VAL A 393
SER A 390
None
1.01A 4qknA-2qv5A:
undetectable
4qknA-2qv5A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v8e COMPLEMENT FACTOR H

(Homo sapiens)
PF00084
(Sushi)
4 THR A 363
PRO A 364
SER A 380
HIS A 373
None
1.22A 4qknA-2v8eA:
undetectable
4qknA-2v8eA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wmy PUTATIVE ACID
PHOSPHATASE WZB


(Escherichia
coli)
PF01451
(LMWPc)
4 LEU A  84
THR A 105
ARG A 102
LEU A 107
None
1.21A 4qknA-2wmyA:
undetectable
4qknA-2wmyA:
14.79
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.
2y3w SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
HOMOLOG


(Danio rerio)
PF16531
(SAS-6_N)
4 LEU A  57
LEU A 141
VAL A  28
SER A  29
None
0.95A 4qknA-2y3wA:
undetectable
4qknA-2y3wA:
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.
3aih PROTEIN OS-9

(Homo sapiens)
PF07915
(PRKCSH)
4 THR A 224
PRO A 225
LEU A 111
SER A 203
None
1.07A 4qknA-3aihA:
undetectable
4qknA-3aihA:
13.03
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.
3bg0 NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae)
PF12110
(Nup96)
4 LEU B 179
VAL B 493
SER B 490
HIS B 489
None
0.86A 4qknA-3bg0B:
undetectable
4qknA-3bg0B:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bv4 FRUCTOSE-BISPHOSPHAT
E ALDOLASE A


(Oryctolagus
cuniculus)
PF00274
(Glycolytic)
4 THR A 234
PRO A 235
SER A 244
HIS A 245
None
0.89A 4qknA-3bv4A:
undetectable
4qknA-3bv4A:
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.
3cfu UNCHARACTERIZED
LIPOPROTEIN YJHA


(Bacillus
subtilis)
PF11611
(DUF4352)
4 PRO A 144
LEU A 184
VAL A 142
SER A 141
None
1.20A 4qknA-3cfuA:
undetectable
4qknA-3cfuA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d0q PROTEIN CALG3

(Micromonospora
echinospora)
PF06722
(DUF1205)
4 LEU A 360
THR A 362
PRO A 363
VAL A 192
None
1.02A 4qknA-3d0qA:
undetectable
4qknA-3d0qA:
20.74
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.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE


(Mycobacterium
tuberculosis)
PF00795
(CN_hydrolase)
PF02540
(NAD_synthase)
4 LEU A 171
THR A 195
LEU A 160
SER A 186
None
1.17A 4qknA-3dlaA:
undetectable
4qknA-3dlaA:
20.96
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.
3fg7 VILLIN-1

(Homo sapiens)
PF00626
(Gelsolin)
4 THR A 693
PRO A 694
ARG A 689
VAL A 658
None
1.19A 4qknA-3fg7A:
undetectable
4qknA-3fg7A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzv PROBABLE
TRANSCRIPTIONAL
REGULATOR


(Pseudomonas
aeruginosa)
PF00126
(HTH_1)
PF03466
(LysR_substrate)
4 LEU A 198
PRO A 219
LEU A 243
SER A 210
None
1.14A 4qknA-3fzvA:
undetectable
4qknA-3fzvA:
22.25
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.
3h2i ESTERASE

(Xanthomonas
oryzae)
PF03583
(LIP)
4 THR A 164
LEU A  81
VAL A 158
SER A 157
None
0.96A 4qknA-3h2iA:
undetectable
4qknA-3h2iA:
22.85
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.
3h6q MACROCYPIN 1A

(Macrolepiota
procera)
no annotation 4 LEU A  10
THR A   8
ARG A  50
LEU A  43
None
0.97A 4qknA-3h6qA:
undetectable
4qknA-3h6qA:
15.76
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.
3ha2 NADPH-QUINONE
REDUCTASE


(Pediococcus
pentosaceus)
PF02525
(Flavodoxin_2)
4 LEU A 146
LEU A 148
SER A 100
HIS A 143
None
1.19A 4qknA-3ha2A:
undetectable
4qknA-3ha2A:
17.55
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.
3hng VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LEU A1063
LEU A1113
VAL A1087
SER A1084
None
1.13A 4qknA-3hngA:
undetectable
4qknA-3hngA:
23.33
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.
3l01 GLGA GLYCOGEN
SYNTHASE


(Pyrococcus
abyssi)
PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5)
4 LEU A   6
THR A  40
PRO A  41
LEU A  22
None
1.09A 4qknA-3l01A:
undetectable
4qknA-3l01A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lqe CAPSID PROTEIN

(Norwalk virus)
PF08435
(Calici_coat_C)
4 THR A 279
PRO A 280
VAL A 286
SER A 287
None
1.18A 4qknA-3lqeA:
undetectable
4qknA-3lqeA:
22.57
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.
3mw8 UROPORPHYRINOGEN-III
SYNTHASE


(Shewanella
amazonensis)
PF02602
(HEM4)
4 PRO A 191
LEU A 186
VAL A 164
SER A 163
None
1.15A 4qknA-3mw8A:
undetectable
4qknA-3mw8A:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nu8 AMINOTRANSFERASE
WBPE


(Pseudomonas
aeruginosa)
PF01041
(DegT_DnrJ_EryC1)
4 THR A  80
PRO A  81
LEU A  63
SER A 131
None
1.12A 4qknA-3nu8A:
undetectable
4qknA-3nu8A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o44 HEMOLYSIN

(Vibrio cholerae)
PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec)
4 LEU A 550
THR A 542
ARG A 535
LEU A 571
None
1.17A 4qknA-3o44A:
undetectable
4qknA-3o44A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poy NEUREXIN-1-ALPHA

(Bos taurus)
PF00008
(EGF)
PF02210
(Laminin_G_2)
4 LEU A 336
LEU A 338
VAL A 356
SER A 357
None
1.03A 4qknA-3poyA:
undetectable
4qknA-3poyA:
18.60
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 PRO A 120
LEU A 109
SER A  86
HIS A  45
None
0.80A 4qknA-3rimA:
undetectable
4qknA-3rimA:
22.60
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.
3s52 PUTATIVE
FUMARYLACETOACETATE
HYDROLASE FAMILY
PROTEIN


(Yersinia pestis)
PF01557
(FAA_hydrolase)
4 THR A 191
PRO A 192
LEU A 100
SER A 148
None
0.90A 4qknA-3s52A:
undetectable
4qknA-3s52A:
18.95
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.
3tqd 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE


(Coxiella
burnetii)
PF02348
(CTP_transf_3)
4 PRO A 130
ARG A 182
LEU A 127
SER A 230
None
1.22A 4qknA-3tqdA:
undetectable
4qknA-3tqdA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9w LEUKOTRIENE A-4
HYDROLASE


(Homo sapiens)
PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C)
4 THR A1279
ARG A1563
VAL A1292
SER A1290
None
1.08A 4qknA-3u9wA:
undetectable
4qknA-3u9wA:
22.93
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg)
4 LEU A 302
THR A 274
ARG A 299
LEU A 288
None
None
SO4  A  10 (-4.3A)
SO4  A  10 (-4.5A)
1.07A 4qknA-3v5rA:
undetectable
4qknA-3v5rA:
22.57
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.
3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LEU A1069
LEU A1119
VAL A1093
SER A1090
None
1.10A 4qknA-3wzdA:
undetectable
4qknA-3wzdA:
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.
4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LEU A1069
LEU A1119
VAL A1093
SER A1090
None
1.09A 4qknA-4agdA:
undetectable
4qknA-4agdA:
20.29
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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2


(Homo sapiens)
PF10250
(O-FucT)
4 LEU A  89
PRO A  53
ARG A 219
LEU A 166
None
1.14A 4qknA-4ap5A:
undetectable
4qknA-4ap5A:
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.
4bpz ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16


(Zobellia
galactanivorans)
PF00722
(Glyco_hydro_16)
4 THR A 343
PRO A 344
LEU A 337
SER A 269
None
None
None
GLC  A 401 ( 3.5A)
1.02A 4qknA-4bpzA:
undetectable
4qknA-4bpzA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c9g ADP, ATP CARRIER
PROTEIN 2


(Saccharomyces
cerevisiae)
PF00153
(Mito_carr)
4 LEU A 155
THR A 153
ARG A 253
SER A  42
LEU  A 155 ( 0.6A)
THR  A 153 ( 0.8A)
ARG  A 253 ( 0.6A)
SER  A  42 ( 0.0A)
1.17A 4qknA-4c9gA:
undetectable
4qknA-4c9gA:
20.33
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.
4cmf AMINOTRANSFERASE

([Nectria]
haematococca)
PF01063
(Aminotran_4)
4 LEU A 220
THR A 228
PRO A 229
LEU A 270
None
1.21A 4qknA-4cmfA:
undetectable
4qknA-4cmfA:
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.
4csw CUPIN 4 FAMILY
PROTEIN


(Rhodothermus
marinus)
PF08007
(Cupin_4)
4 LEU A 166
ARG A  56
VAL A 130
HIS A 133
None
0.77A 4qknA-4cswA:
8.2
4qknA-4cswA:
23.38
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.
4frz KINESIN-LIKE
CALMODULIN-BINDING
PROTEIN


(Arabidopsis
thaliana)
PF00225
(Kinesin)
4 THR A 994
LEU A1068
VAL A1095
SER A1094
None
1.10A 4qknA-4frzA:
undetectable
4qknA-4frzA:
21.33
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE


(Thermothelomyces
thermophila)
no annotation 4 LEU A 357
PRO A 350
VAL A 341
HIS A 376
None
0.97A 4qknA-4g4iA:
undetectable
4qknA-4g4iA:
19.28
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.
4imd N-ACETYLNEURAMINATE
LYASE


(Pasteurella
multocida)
PF00701
(DHDPS)
4 THR A 107
PRO A 108
LEU A 154
SER A 114
None
1.18A 4qknA-4imdA:
undetectable
4qknA-4imdA:
21.99
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
4 THR A 188
VAL A 202
SER A 201
HIS A 192
None
0.54A 4qknA-4jhzA:
undetectable
4qknA-4jhzA:
22.26
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.
4mb5 CHITINASE 60

(Moritella
marina)
PF00704
(Glyco_hydro_18)
PF16403
(DUF5011)
4 THR A 351
PRO A 350
VAL A 406
SER A 405
None
1.21A 4qknA-4mb5A:
undetectable
4qknA-4mb5A:
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens)
PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
4 LEU A 941
THR A 907
VAL A 909
SER A 910
None
1.02A 4qknA-4nenA:
undetectable
4qknA-4nenA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxq D-GLUCURONYL C5
EPIMERASE B


(Danio rerio)
PF06662
(C5-epim_C)
4 LEU A 226
THR A 219
VAL A 352
HIS A 354
None
1.16A 4qknA-4pxqA:
4.3
4qknA-4pxqA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3k MGS-M1

(unidentified)
PF00326
(Peptidase_S9)
PF07859
(Abhydrolase_3)
4 LEU A 195
PRO A 177
VAL A 172
HIS A 201
None
None
PGE  A 303 ( 4.6A)
None
1.13A 4qknA-4q3kA:
undetectable
4qknA-4q3kA:
19.58
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.
4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11


(Homo sapiens)
PF12796
(Ank_2)
PF13637
(Ank_4)
4 THR A 230
PRO A 231
VAL A 222
SER A 221
None
0.54A 4qknA-4uucA:
undetectable
4qknA-4uucA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE


(Acidovorax sp.
MR-S7)
PF01804
(Penicil_amidase)
4 LEU A  48
THR A  50
ARG C  31
HIS C 538
None
1.08A 4qknA-4yfaA:
undetectable
4qknA-4yfaA:
16.08
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.
4yxd SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
CYTOCHROME B SMALL
SUBUNIT,
MITOCHONDRIAL


(Sus scrofa)
PF01127
(Sdh_cyt)
PF05328
(CybS)
4 LEU D  78
LEU D  53
VAL C  56
SER C  53
None
HEM  C 301 ( 4.6A)
HEM  C 301 (-4.6A)
HEM  C 301 (-3.4A)
1.05A 4qknA-4yxdD:
undetectable
4qknA-4yxdD:
17.11
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.
5aex AMMONIUM TRANSPORTER
MEP2


(Saccharomyces
cerevisiae)
PF00909
(Ammonium_transp)
4 LEU A 191
PRO A 305
VAL A 301
HIS A 348
None
1.11A 4qknA-5aexA:
2.0
4qknA-5aexA:
21.47
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.
5apm VP0
VP3


(Parechovirus A)
PF00073
(Rhv)
no annotation
4 ARG C 132
LEU C 184
VAL B  84
SER B  83
None
1.13A 4qknA-5apmC:
undetectable
4qknA-5apmC:
19.51
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis)
PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4)
4 LEU A 547
THR A 225
VAL A 212
SER A 211
None
1.09A 4qknA-5bptA:
2.4
4qknA-5bptA:
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.
5c2y RNA POLYMERASE II
SUBUNIT B1 CTD
PHOSPHATASE RTR1


(Saccharomyces
cerevisiae)
PF04181
(RPAP2_Rtr1)
4 LEU A  12
PRO A  14
LEU A 140
HIS A  18
None
None
None
GOL  A 304 (-3.5A)
1.19A 4qknA-5c2yA:
undetectable
4qknA-5c2yA:
18.45
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE


(Acidovorax sp.
MR-S7)
PF01804
(Penicil_amidase)
4 LEU A  48
THR A  50
ARG A 233
HIS A 740
None
1.08A 4qknA-5c9iA:
undetectable
4qknA-5c9iA:
20.51
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF


(Serratia sp.
FS14)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
4 LEU A 503
PRO A 460
LEU A 457
VAL A 500
None
1.09A 4qknA-5cioA:
undetectable
4qknA-5cioA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cuo PHOSPHATE
PROPANOYLTRANSFERASE


(Rhodopseudomonas
palustris)
PF06130
(PTAC)
4 THR A 121
PRO A 122
VAL A 112
SER A 111
None
1.15A 4qknA-5cuoA:
undetectable
4qknA-5cuoA:
19.62
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156


(uncultured
organism)
no annotation 4 LEU A 366
PRO A 369
VAL A 376
HIS A 231
None
0.98A 4qknA-5d8mA:
undetectable
4qknA-5d8mA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09)
PF05343
(Peptidase_M42)
4 LEU A  62
LEU A 188
VAL A  49
SER A  48
None
0.89A 4qknA-5ds0A:
undetectable
4qknA-5ds0A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA


(Arcobacter
butzleri;
Homo sapiens)
PF00520
(Ion_trans)
4 LEU A1612
THR A1614
LEU A1610
VAL A1623
None
0.93A 4qknA-5ek0A:
2.6
4qknA-5ek0A:
19.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO


(Homo sapiens)
PF12933
(FTO_NTD)
PF12934
(FTO_CTD)
6 LEU A  90
THR A  92
PRO A  93
ARG A  96
LEU A 109
HIS A 231
FIJ  A 602 (-3.9A)
FIJ  A 602 (-3.7A)
FIJ  A 602 (-4.5A)
AKG  A 603 (-3.4A)
FIJ  A 602 (-4.7A)
FIJ  A 602 (-4.0A)
0.72A 4qknA-5f8pA:
56.8
4qknA-5f8pA:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO


(Homo sapiens)
PF12933
(FTO_NTD)
PF12934
(FTO_CTD)
7 LEU A  90
THR A  92
PRO A  93
LEU A 109
VAL A 228
SER A 229
HIS A 231
FIJ  A 602 (-3.9A)
FIJ  A 602 (-3.7A)
FIJ  A 602 (-4.5A)
FIJ  A 602 (-4.7A)
AKG  A 603 ( 4.7A)
FIJ  A 602 (-2.9A)
FIJ  A 602 (-4.0A)
0.71A 4qknA-5f8pA:
56.8
4qknA-5f8pA:
99.58
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.
5imy VAGINOLYSIN

(Gardnerella
vaginalis)
PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C)
4 PRO A 252
LEU A 120
VAL A 249
SER A 283
None
1.20A 4qknA-5imyA:
undetectable
4qknA-5imyA:
22.51
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.
5kzl HEME OXYGENASE

(Leptospira
interrogans)
PF01126
(Heme_oxygenase)
4 LEU A 127
VAL A 194
SER A 191
HIS A 121
HEM  A 301 ( 4.4A)
None
None
None
1.15A 4qknA-5kzlA:
undetectable
4qknA-5kzlA:
21.11
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.
5loz EPSIN-1

(Saccharomyces
cerevisiae)
PF01417
(ENTH)
4 THR A  27
LEU A  22
VAL A  34
SER A  35
None
1.14A 4qknA-5lozA:
2.8
4qknA-5lozA:
15.32
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.
5naq BETA-GALACTOSIDASE

(Lactobacillus
plantarum)
PF00232
(Glyco_hydro_1)
4 LEU A 224
THR A 225
PRO A 226
HIS A 395
None
1.04A 4qknA-5naqA:
undetectable
4qknA-5naqA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nkm PROTEIN SMG-8

(Caenorhabditis
elegans)
PF10220
(Smg8_Smg9)
4 LEU E 187
ARG E 171
VAL E 183
HIS E 121
None
EDO  E 503 (-3.2A)
EDO  E 503 ( 3.1A)
None
1.11A 4qknA-5nkmE:
undetectable
4qknA-5nkmE:
20.78
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.
5oat SERINE/THREONINE-PRO
TEIN KINASE PINK1,
MITOCHONDRIAL-LIKE
PROTEIN


(Tribolium
castaneum)
no annotation 4 LEU A 292
PRO A 220
ARG A 222
SER A 358
None
1.04A 4qknA-5oatA:
undetectable
4qknA-5oatA:
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.
5or7 CAPSID PROTEIN

(Norwalk virus)
no annotation 4 THR A 279
PRO A 280
VAL A 286
SER A 287
None
1.14A 4qknA-5or7A:
undetectable
4qknA-5or7A:
9.19
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.
5ts9 CHORISMATE MUTASE

(Paraburkholderia
phymatum)
PF01817
(CM_2)
4 PRO A 139
LEU A  74
VAL A 137
SER A 136
None
1.14A 4qknA-5ts9A:
undetectable
4qknA-5ts9A:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u56 MACROPHAGE GROWTH
LOCUS A


(Francisella
tularensis)
PF13417
(GST_N_3)
4 LEU A  55
THR A  54
PRO A  53
LEU A   2
None
1.14A 4qknA-5u56A:
2.8
4qknA-5u56A:
18.12
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.
5udb CELL DIVISION CYCLE
PROTEIN CDT1


(Saccharomyces
cerevisiae)
PF16679
(CDT1_C)
4 LEU 8 340
THR 8 382
LEU 8 325
VAL 8 372
None
1.03A 4qknA-5udb8:
8.8
4qknA-5udb8:
20.66
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.
5uyr BACTERIOPHYTOCHROME

(Xanthomonas
campestris)
no annotation 4 ARG A 214
VAL A 248
SER A 249
HIS A 252
BLA  A 900 (-3.0A)
BLA  A 900 (-4.0A)
BLA  A 900 (-4.3A)
BLA  A 900 (-3.6A)
0.89A 4qknA-5uyrA:
2.5
4qknA-5uyrA:
11.29
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.
5vg2 INTRADIOL
RING-CLEAVAGE
DIOXYGENASE


(Tetranychus
urticae)
no annotation 4 LEU U 158
PRO U 201
SER U 115
HIS U 162
None
1.18A 4qknA-5vg2U:
undetectable
4qknA-5vg2U:
9.89
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.
5vlq LOC100158544 PROTEIN

(Xenopus
tropicalis)
PF03133
(TTL)
4 PRO A 516
LEU A 462
VAL A 474
HIS A 469
None
1.22A 4qknA-5vlqA:
undetectable
4qknA-5vlqA:
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.
5vug UNCHARACTERIZED
PROTEIN RV2277C


(Mycobacterium
tuberculosis)
PF03009
(GDPD)
4 LEU A 106
THR A 105
PRO A 104
VAL A  25
None
0.89A 4qknA-5vugA:
undetectable
4qknA-5vugA:
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.
5wrj PROTEIN-TYROSINE
SULFOTRANSFERASE 1


(Homo sapiens)
PF13469
(Sulfotransfer_3)
4 LEU A 173
PRO A 175
LEU A 143
HIS A  66
None
1.14A 4qknA-5wrjA:
undetectable
4qknA-5wrjA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xeq NEUROLIGIN-2

(Homo sapiens)
PF00135
(COesterase)
4 PRO A 364
LEU A 235
VAL A 300
SER A 299
None
1.22A 4qknA-5xeqA:
undetectable
4qknA-5xeqA:
22.29
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum)
no annotation 4 THR A 681
LEU A 715
VAL A 704
SER A 705
None
1.14A 4qknA-5xqoA:
1.8
4qknA-5xqoA:
11.37
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.
5xr2 PROTEIN/NUCLEIC ACID
DEGLYCASE HCHA


(Staphylococcus
aureus)
no annotation 4 THR A 188
LEU A 265
VAL A 154
SER A 153
None
1.13A 4qknA-5xr2A:
undetectable
4qknA-5xr2A:
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus)
no annotation 4 LEU A  41
THR A  32
ARG A   9
VAL A 355
None
0.82A 4qknA-5ywpA:
undetectable
4qknA-5ywpA:
10.28
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis)
no annotation 4 LEU A  73
THR A  74
VAL A  76
SER A  77
None
1.06A 4qknA-5z06A:
2.9
4qknA-5z06A:
8.86
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.
6az6 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR


(Streptococcus
agalactiae)
no annotation 4 ARG A  98
VAL A 216
SER A 215
HIS A 212
None
0.83A 4qknA-6az6A:
2.3
4qknA-6az6A:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1


(Mus musculus)
no annotation 4 LEU A1541
THR A1312
LEU A1534
SER A1317
None
0.94A 4qknA-6b3rA:
3.2
4qknA-6b3rA:
11.29
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.
6bbn DARPIN

(Escherichia
coli)
no annotation 4 LEU P  53
THR P  49
LEU P  86
SER P  46
None
1.08A 4qknA-6bbnP:
undetectable
4qknA-6bbnP:
11.84
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.
6cno INTERMEDIATE
CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 4


(Homo sapiens)
no annotation 4 LEU A 154
PRO A 119
ARG A 159
LEU A 157
None
1.00A 4qknA-6cnoA:
2.3
4qknA-6cnoA:
10.94
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.
6crj NORWALK VIRUS, MNV-1
CAPSID PROTEIN
CHIMERA


(Norwalk virus)
no annotation 4 THR B 279
PRO B 280
VAL B 286
SER B 287
None
1.19A 4qknA-6crjB:
3.1
4qknA-6crjB:
10.96