SIMILAR PATTERNS OF AMINO ACIDS FOR 5QGP_A_ACTA301

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.
1c3a FLAVOCETIN-A: ALPHA
SUBUNIT

(Protobothrops
flavoviridis) 		PF00059
(Lectin_C) 		4 VAL A  42
VAL A 128
TYR A  16
GLN A  17
 None
 1.24A 5qgpA-1c3aA:
0.0		 5qgpA-1c3aA:
19.70
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 VAL A 316
VAL A 300
TYR A 268
GLN A 267
 None
 0.91A 5qgpA-1gq1A:
0.0		 5qgpA-1gq1A:
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.
1lo9 4-HYDROXYBENZOYL-COA
THIOESTERASE

(Pseudomonas sp.
CBS3) 		no annotation 4 VAL A 110
VAL A  98
TYR A  27
GLN A   9
 None
 1.10A 5qgpA-1lo9A:
0.4		 5qgpA-1lo9A:
17.86
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.
1s58 B19 PARVOVIRUS
CAPSID

(Primate
erythroparvovirus
1) 		PF00740
(Parvo_coat) 		4 VAL A 141
VAL A 131
TYR A 481
GLN A 480
 None
 1.03A 5qgpA-1s58A:
0.0		 5qgpA-1s58A:
15.60
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.
1sfe ADA
O6-METHYLGUANINE-DNA
METHYLTRANSFERASE

(Escherichia
coli) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		4 VAL A 131
VAL A 128
TYR A 115
GLN A 117
 None
 1.40A 5qgpA-1sfeA:
undetectable		 5qgpA-1sfeA:
24.43
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.
1usw FERULOYL ESTERASE A

(Aspergillus
niger) 		PF01764
(Lipase_3) 		4 VAL A 211
VAL A 178
TYR A 186
GLN A 185
 None
 1.17A 5qgpA-1uswA:
0.0		 5qgpA-1uswA:
18.39
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.
1v4l MUCROCETIN BETA
CHAIN

(Protobothrops
mucrosquamatus) 		PF00059
(Lectin_C) 		4 VAL B 242
VAL B 320
TYR B 216
GLN B 217
 None
 1.29A 5qgpA-1v4lB:
undetectable		 5qgpA-1v4lB:
18.03
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.
1vz0 CHROMOSOME-PARTITION
ING PROTEIN SPO0J

(Thermus
thermophilus) 		PF02195
(ParBc) 		4 VAL A  96
VAL A  65
TYR A  72
GLN A  68
 None
 0.93A 5qgpA-1vz0A:
0.0		 5qgpA-1vz0A:
20.72
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.
1w4t ARYLAMINE
N-ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00797
(Acetyltransf_2) 		4 VAL A  64
VAL A  65
TYR A  12
GLN A   8
 None
 1.03A 5qgpA-1w4tA:
0.0		 5qgpA-1w4tA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wpx CARBOXYPEPTIDASE Y
INHIBITOR

(Saccharomyces
cerevisiae) 		PF01161
(PBP) 		4 VAL B 546
VAL B 538
TYR B 540
GLN B 562
 None
 1.46A 5qgpA-1wpxB:
undetectable		 5qgpA-1wpxB:
23.71
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.
1x51 A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE

(Homo sapiens) 		PF14815
(NUDIX_4) 		4 VAL A 142
VAL A  91
TYR A 102
GLN A 103
 None
 1.41A 5qgpA-1x51A:
8.9		 5qgpA-1x51A:
21.53
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.
1zxu AT5G01750 PROTEIN

(Arabidopsis
thaliana) 		PF04525
(LOR) 		4 VAL A 133
VAL A 119
TYR A 117
GLN A 103
 None
 1.37A 5qgpA-1zxuA:
undetectable		 5qgpA-1zxuA:
21.55
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 VAL X 158
VAL X 159
TYR X 152
GLN X 153
 None
 1.19A 5qgpA-2b5dX:
undetectable		 5qgpA-2b5dX:
15.09
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.
2b7h HEMOGLOBIN BETA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		4 VAL B 133
VAL B 134
TYR B 130
GLN B 127
 None
 1.18A 5qgpA-2b7hB:
undetectable		 5qgpA-2b7hB:
21.78
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.
2bej SEGREGATION PROTEIN

(Thermus
thermophilus) 		PF13614
(AAA_31) 		4 VAL A 205
VAL A 176
TYR A 179
GLN A 142
 None
 1.35A 5qgpA-2bejA:
undetectable		 5qgpA-2bejA:
23.92
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.
2dhb HEMOGLOBIN (DEOXY)
(BETA CHAIN)

(Equus caballus) 		PF00042
(Globin) 		4 VAL B 133
VAL B 134
TYR B 130
GLN B 127
 None
 1.32A 5qgpA-2dhbB:
undetectable		 5qgpA-2dhbB:
22.82
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.
2hpw GREEN FLUORESCENT
PROTEIN

(Clytia gregaria) 		PF01353
(GFP) 		4 VAL A 126
VAL A 109
TYR A 107
GLN A 106
 None
 1.25A 5qgpA-2hpwA:
undetectable		 5qgpA-2hpwA:
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.
2kaa HIRSUTELLIN A

(Hirsutella
thompsonii) 		no annotation 4 VAL A  96
VAL A  97
TYR A 107
GLN A 106
 None
 1.48A 5qgpA-2kaaA:
undetectable		 5qgpA-2kaaA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q34 CURF

(Moorea
producens) 		PF00378
(ECH_1) 		4 VAL A 130
VAL A 195
TYR A 198
GLN A 200
 None
 1.49A 5qgpA-2q34A:
undetectable		 5qgpA-2q34A:
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.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		4 VAL A 116
VAL A 136
TYR A 114
GLN A 149
 None
 1.33A 5qgpA-2wq9A:
undetectable		 5qgpA-2wq9A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ask E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF00628
(PHD)
PF12148
(TTD) 		4 VAL A 156
VAL A 186
TYR A 184
GLN A 198
 None
 1.04A 5qgpA-3askA:
undetectable		 5qgpA-3askA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bb7 INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		4 VAL A  63
VAL A  53
TYR A  51
GLN A  47
 None
 1.48A 5qgpA-3bb7A:
undetectable		 5qgpA-3bb7A:
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.
3c0r UBIQUITIN
THIOESTERASE OTU1

(Saccharomyces
cerevisiae) 		PF02338
(OTU) 		4 VAL A 142
VAL A 146
TYR A 165
GLN A 167
 None
 1.33A 5qgpA-3c0rA:
undetectable		 5qgpA-3c0rA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 VAL A 238
VAL A 237
TYR A  34
GLN A  33
 None
 1.32A 5qgpA-3cdiA:
undetectable		 5qgpA-3cdiA:
15.91
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.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 VAL A 217
VAL A 240
TYR A 256
GLN A 257
 None
 1.30A 5qgpA-3g1uA:
undetectable		 5qgpA-3g1uA:
19.54
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.
3gdj HEMOGLOBIN SUBUNIT
BETA

(Camelus
dromedarius) 		PF00042
(Globin) 		4 VAL B 133
VAL B 134
TYR B 130
GLN B 127
 None
 1.20A 5qgpA-3gdjB:
undetectable		 5qgpA-3gdjB:
21.89
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 VAL A 215
VAL A 214
TYR A  11
GLN A  10
 None
 1.45A 5qgpA-3gmeA:
undetectable		 5qgpA-3gmeA:
17.38
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.
3gpr RHODOCETIN SUBUNIT
GAMMA

(Calloselasma
rhodostoma) 		PF00059
(Lectin_C) 		4 VAL C3042
VAL C3128
TYR C3016
GLN C3017
 None
 1.36A 5qgpA-3gprC:
undetectable		 5qgpA-3gprC:
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.
3ihx PR DOMAIN ZINC
FINGER PROTEIN 10

(Homo sapiens) 		no annotation 4 VAL A  49
VAL A 120
TYR A 122
GLN A  45
 None
 1.44A 5qgpA-3ihxA:
undetectable		 5qgpA-3ihxA:
20.50
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.
3jtm FORMATE
DEHYDROGENASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 VAL A 293
VAL A 297
TYR A 305
GLN A 327
 None
 1.30A 5qgpA-3jtmA:
undetectable		 5qgpA-3jtmA:
19.35
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 VAL A 358
VAL A 385
TYR A 383
GLN A 399
 None
 1.25A 5qgpA-3mn8A:
undetectable		 5qgpA-3mn8A:
21.02
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		4 VAL A 367
VAL A 360
TYR A 358
GLN A  78
 None
 1.40A 5qgpA-3pgbA:
undetectable		 5qgpA-3pgbA:
13.14
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.
3rgh FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 VAL A 163
VAL A 240
TYR A 235
GLN A 238
 None
 1.24A 5qgpA-3rghA:
undetectable		 5qgpA-3rghA:
20.50
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.
3rpf MOLYBDOPTERIN
SYNTHASE CATALYTIC
SUBUNIT

(Helicobacter
pylori) 		PF02391
(MoaE) 		4 VAL A  92
VAL A  32
TYR A  18
GLN A  19
 None
 1.27A 5qgpA-3rpfA:
undetectable		 5qgpA-3rpfA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Coxiella
burnetii) 		PF00275
(EPSP_synthase) 		4 VAL A 419
VAL A 429
TYR A   3
GLN A   4
 None
 1.39A 5qgpA-3tr1A:
undetectable		 5qgpA-3tr1A:
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 VAL A 207
VAL A 250
TYR A 156
GLN A 157
 None
None
None
CYS  A 401 (-4.1A)
 1.07A 5qgpA-3tz6A:
undetectable		 5qgpA-3tz6A:
20.17
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.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		4 VAL A  48
VAL A 152
TYR A  54
GLN A  52
 None
 1.37A 5qgpA-3vlaA:
undetectable		 5qgpA-3vlaA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vre HEMOGLOBIN SUBUNIT
BETA/DELTA HYBRID

(Mammuthus
primigenius) 		PF00042
(Globin) 		4 VAL B 133
VAL B 134
TYR B 130
GLN B 127
 None
 1.14A 5qgpA-3vreB:
undetectable		 5qgpA-3vreB:
21.83
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.
3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1) 		4 VAL A  50
VAL A 109
TYR A  86
GLN A  87
 None
 1.32A 5qgpA-3vusA:
undetectable		 5qgpA-3vusA:
20.59
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.
3whe IMMUNOGLOBULIN HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 VAL M  48
VAL M  37
TYR M  94
GLN M  39
 None
 1.44A 5qgpA-3wheM:
undetectable		 5qgpA-3wheM:
18.06
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.
3zzp RIBOSOMAL PROTEIN S6

(Thermus
thermophilus) 		no annotation 4 VAL A  37
VAL A  48
TYR A  46
GLN A  11
 None
 1.37A 5qgpA-3zzpA:
undetectable		 5qgpA-3zzpA:
15.66
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.
4b9j CS6 FIMBRIAL SUBUNIT
A

(Escherichia
coli) 		no annotation 4 VAL A  42
VAL A  46
TYR A 127
GLN A  48
 None
 1.25A 5qgpA-4b9jA:
undetectable		 5qgpA-4b9jA:
23.50
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		4 VAL A 345
VAL A 355
TYR A 280
GLN A 278
 None
 1.21A 5qgpA-4ccdA:
undetectable		 5qgpA-4ccdA:
14.88
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.
4h2l BETA GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		4 VAL B 133
VAL B 134
TYR B 130
GLN B 127
 None
 1.20A 5qgpA-4h2lB:
undetectable		 5qgpA-4h2lB:
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		4 VAL A  64
VAL A 112
TYR A  91
GLN A  95
 None
 0.97A 5qgpA-4hdsA:
undetectable		 5qgpA-4hdsA:
20.23
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.
4ina SACCHAROPINE
DEHYDROGENASE

(Wolinella
succinogenes) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 VAL A 338
VAL A  15
TYR A 345
GLN A 341
 None
 1.25A 5qgpA-4inaA:
undetectable		 5qgpA-4inaA:
21.19
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.
4j2q S-ARRESTIN

(Bos taurus) 		PF00339
(Arrestin_N)
PF02752
(Arrestin_C) 		4 VAL A 259
VAL A 241
TYR A 327
GLN A 328
 None
 0.93A 5qgpA-4j2qA:
undetectable		 5qgpA-4j2qA:
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.
4oy2 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 7

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF12157
(DUF3591)
PF04658
(TAFII55_N) 		4 VAL B 293
VAL A 940
TYR A 778
GLN A 942
 None
 1.23A 5qgpA-4oy2B:
undetectable		 5qgpA-4oy2B:
24.37
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.
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE

(Homo sapiens) 		PF00348
(polyprenyl_synt) 		4 VAL A 301
VAL A 298
TYR A 290
GLN A 292
 None
 1.24A 5qgpA-4p0vA:
undetectable		 5qgpA-4p0vA:
20.28
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.
4q4g PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		4 VAL X1204
VAL X1205
TYR X1144
GLN X1143
 None
 1.27A 5qgpA-4q4gX:
undetectable		 5qgpA-4q4gX:
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.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 VAL A 357
VAL A  15
TYR A 364
GLN A 360
 None
 1.32A 5qgpA-4rl6A:
undetectable		 5qgpA-4rl6A:
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.
4v1r ALPHA-1,6-MANNANASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 VAL A 253
VAL A 198
TYR A 188
GLN A 190
 None
 1.45A 5qgpA-4v1rA:
undetectable		 5qgpA-4v1rA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		4 VAL A 641
VAL A 638
TYR A 585
GLN A 582
 None
 1.39A 5qgpA-4v1uA:
undetectable		 5qgpA-4v1uA:
13.26
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.
4x9f DOWN SYNDROME CELL
ADHESION MOLECULE
ISOFORM 6.9

(Drosophila
melanogaster) 		PF07679
(I-set) 		4 VAL A 135
VAL A 131
TYR A 106
GLN A 104
 None
 1.49A 5qgpA-4x9fA:
undetectable		 5qgpA-4x9fA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdm GLUTAMATE RECEPTOR
KAINATE-LIKE PROTEIN

(Pleurobrachia
bachei) 		PF10613
(Lig_chan-Glu_bd) 		4 VAL A 120
VAL A 187
TYR A 139
GLN A 140
 None
 0.94A 5qgpA-4zdmA:
undetectable		 5qgpA-4zdmA:
23.70
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.
4zfq L,D-TRANSPEPTIDASE 5

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		4 VAL A 265
VAL A 276
TYR A 371
GLN A 370
 None
 1.46A 5qgpA-4zfqA:
undetectable		 5qgpA-4zfqA:
19.73
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.
4ztp LIGHT CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 125
VAL L 130
TYR L 185
GLN L 184
 None
 1.30A 5qgpA-4ztpL:
undetectable		 5qgpA-4ztpL:
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.
5c0y EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 VAL A 216
VAL A 265
TYR A 263
GLN A 255
 None
 1.47A 5qgpA-5c0yA:
undetectable		 5qgpA-5c0yA:
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 VAL A 224
VAL A 216
TYR A 250
GLN A 251
 None
 1.30A 5qgpA-5c70A:
undetectable		 5qgpA-5c70A:
15.54
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.
5dsc FAB HOU24.B LIGHT
CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL B 125
VAL B 130
TYR B 185
GLN B 184
 None
 1.28A 5qgpA-5dscB:
undetectable		 5qgpA-5dscB:
21.92
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		4 VAL A 194
VAL A 192
TYR A 154
GLN A  24
 None
 1.33A 5qgpA-5epaA:
undetectable		 5qgpA-5epaA:
22.70
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.
5hu6 HEMOGLOBIN SUBUNIT
BETA

(Homo sapiens) 		PF00042
(Globin) 		4 VAL B 134
VAL B 135
TYR B 131
GLN B 128
 None
 1.18A 5qgpA-5hu6B:
undetectable		 5qgpA-5hu6B:
26.01
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.
5iay E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF12148
(TTD) 		4 VAL A 156
VAL A 186
TYR A 184
GLN A 198
 None
 1.38A 5qgpA-5iayA:
undetectable		 5qgpA-5iayA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 4 VAL A 139
VAL A 108
TYR A 120
GLN A 122
 VAL  A 139 ( 0.6A)
VAL  A 108 ( 0.5A)
TYR  A 120 ( 1.3A)
GLN  A 122 ( 0.6A)
 1.05A 5qgpA-5nksA:
undetectable		 5qgpA-5nksA:
14.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t3p PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7

(Homo sapiens) 		PF00293
(NUDIX) 		4 VAL A  60
VAL A  72
TYR A 187
GLN A 188
 None
 0.36A 5qgpA-5t3pA:
28.8		 5qgpA-5t3pA:
93.33
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.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 VAL A 273
VAL A 296
TYR A 312
GLN A 313
 None
None
None
SO4  A 507 (-4.6A)
 1.26A 5qgpA-5utuA:
undetectable		 5qgpA-5utuA:
16.60
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 4 VAL A1043
VAL A1053
TYR A1104
GLN A1110
 None
 0.79A 5qgpA-5wblA:
undetectable		 5qgpA-5wblA:
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 4 VAL A  86
VAL A  82
TYR A 214
GLN A 211
 None
 1.35A 5qgpA-6brsA:
undetectable		 5qgpA-6brsA:
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.
6cuf -

(-) 		no annotation 4 VAL 8 109
VAL 8 108
TYR 8  90
GLN 8   6
 None
 1.50A 5qgpA-6cuf8:
undetectable		 5qgpA-6cuf8:
undetectable