SIMILAR PATTERNS OF AMINO ACIDS FOR 3RQW_C_ACHC323_0

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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		4 PHE A 243
GLU A 250
GLU A 254
LEU A 237
 None
 1.11A 3rqwC-1cjyA:
0.1
3rqwD-1cjyA:
0.1		 3rqwC-1cjyA:
16.13
3rqwD-1cjyA:
16.13
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.
1dlj UDP-GLUCOSE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 PHE A  92
ASN A 271
GLU A 126
LEU A 205
 None
 1.11A 3rqwC-1dljA:
0.0
3rqwD-1dljA:
0.0		 3rqwC-1dljA:
20.95
3rqwD-1dljA:
20.95
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 PHE A  81
GLU A 262
TYR A 271
LEU A 272
 None
 1.12A 3rqwC-1fc4A:
undetectable
3rqwD-1fc4A:
undetectable		 3rqwC-1fc4A:
22.97
3rqwD-1fc4A:
22.97
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		4 PHE A 417
GLU A 281
TYR A 285
LEU A 270
 None
 1.06A 3rqwC-1gkpA:
undetectable
3rqwD-1gkpA:
undetectable		 3rqwC-1gkpA:
18.24
3rqwD-1gkpA:
18.24
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 PHE A 259
ASN A 262
LEU A 265
PHE A 403
 None
AMP  A 527 ( 4.8A)
None
None
 0.99A 3rqwC-1gpmA:
undetectable
3rqwD-1gpmA:
undetectable		 3rqwC-1gpmA:
19.40
3rqwD-1gpmA:
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.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 ASN A 130
GLU A  93
TYR A  22
LEU A  25
 None
 1.05A 3rqwC-1i74A:
undetectable
3rqwD-1i74A:
undetectable		 3rqwC-1i74A:
24.38
3rqwD-1i74A:
24.38
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.
1jk0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 2

(Saccharomyces
cerevisiae) 		PF00268
(Ribonuc_red_sm) 		4 ASN B 110
GLU B  44
LEU B 108
PHE B 226
 None
 0.88A 3rqwC-1jk0B:
2.0
3rqwD-1jk0B:
2.2		 3rqwC-1jk0B:
19.50
3rqwD-1jk0B:
19.50
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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 PHE A 116
TYR A 121
GLU A 479
GLU A 478
 None
 1.10A 3rqwC-1kl7A:
undetectable
3rqwD-1kl7A:
undetectable		 3rqwC-1kl7A:
21.77
3rqwD-1kl7A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1led WEST-CENTRAL AFRICAN
LEGUME LECTIN IV

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		4 TYR A   8
GLU A  21
LEU A  35
PHE A  24
 SO4  A 500 (-3.9A)
SO4  A 500 (-3.8A)
None
None
 1.06A 3rqwC-1ledA:
undetectable
3rqwD-1ledA:
undetectable		 3rqwC-1ledA:
20.29
3rqwD-1ledA:
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		4 TYR A 216
GLU A 149
TYR A 160
LEU A 138
 None
 1.16A 3rqwC-1lshA:
undetectable
3rqwD-1lshA:
0.1		 3rqwC-1lshA:
14.34
3rqwD-1lshA:
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.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		4 ASN A 650
GLU A 578
TYR A 628
PHE A 577
 None
 1.11A 3rqwC-1nd7A:
undetectable
3rqwD-1nd7A:
undetectable		 3rqwC-1nd7A:
21.30
3rqwD-1nd7A:
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 TYR A 183
ASN A 181
GLU A 129
TYR A 229
 None
 1.06A 3rqwC-1o94A:
undetectable
3rqwD-1o94A:
undetectable		 3rqwC-1o94A:
18.60
3rqwD-1o94A:
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.
1pyt PROCARBOXYPEPTIDASE
A
CHYMOTRYPSINOGEN C

(Bos taurus;
Bos taurus) 		PF02244
(Propep_M14)
PF00089
(Trypsin) 		4 GLU A  91
TYR D 735
LEU D 762
PHE A  94
 None
 1.14A 3rqwC-1pytA:
undetectable
3rqwD-1pytA:
undetectable		 3rqwC-1pytA:
16.72
3rqwD-1pytA:
16.72
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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 TYR A 525
GLU A 543
LEU A 505
PHE A 517
 None
 1.15A 3rqwC-1uokA:
undetectable
3rqwD-1uokA:
undetectable		 3rqwC-1uokA:
20.32
3rqwD-1uokA:
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 PHE A 195
GLU A 519
TYR A 237
LEU A 211
 None
None
C14  A1735 ( 4.4A)
None
 1.15A 3rqwC-1w6jA:
2.2
3rqwD-1w6jA:
2.4		 3rqwC-1w6jA:
16.55
3rqwD-1w6jA:
16.55
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.
1wch PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 PHE A2434
GLU A2216
TYR A2461
LEU A2204
 None
 1.15A 3rqwC-1wchA:
undetectable
3rqwD-1wchA:
undetectable		 3rqwC-1wchA:
21.94
3rqwD-1wchA:
21.94
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.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		4 ASN A 130
GLU A  93
TYR A  23
LEU A  26
 None
 1.00A 3rqwC-1wpnA:
undetectable
3rqwD-1wpnA:
undetectable		 3rqwC-1wpnA:
20.19
3rqwD-1wpnA:
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.
1x3w PEPTIDE:N-GLYCANASE

(Saccharomyces
cerevisiae) 		PF03835
(Rad4) 		4 PHE A 120
GLU A 111
LEU A  79
PHE A 205
 None
 1.16A 3rqwC-1x3wA:
undetectable
3rqwD-1x3wA:
undetectable		 3rqwC-1x3wA:
22.04
3rqwD-1x3wA:
22.04
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 PHE A 791
TYR A 767
GLU A1167
LEU A 805
 None
 1.06A 3rqwC-1yguA:
undetectable
3rqwD-1yguA:
undetectable		 3rqwC-1yguA:
20.29
3rqwD-1yguA:
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A 767
GLU A1167
GLU A 894
LEU A 805
 None
 0.96A 3rqwC-1yguA:
undetectable
3rqwD-1yguA:
undetectable		 3rqwC-1yguA:
20.29
3rqwD-1yguA:
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.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		4 GLU A 133
TYR A  71
LEU A 105
PHE A 131
 None
 0.96A 3rqwC-1yp4A:
undetectable
3rqwD-1yp4A:
undetectable		 3rqwC-1yp4A:
21.06
3rqwD-1yp4A:
21.06
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.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		4 GLU A 343
GLU A 319
TYR A 355
PHE A 255
 CO  A 503 (-2.2A)
CO  A 501 ( 2.6A)
CO  A 502 (-4.9A)
CO  A 501 ( 4.9A)
 1.13A 3rqwC-1zjcA:
undetectable
3rqwD-1zjcA:
undetectable		 3rqwC-1zjcA:
22.09
3rqwD-1zjcA:
22.09
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		4 PHE C 489
GLU C 457
TYR C 470
LEU C 472
 None
 1.15A 3rqwC-1zq1C:
undetectable
3rqwD-1zq1C:
undetectable		 3rqwC-1zq1C:
17.77
3rqwD-1zq1C:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5g TRANSPOSASE,
PUTATIVE

(Sulfolobus
solfataricus) 		PF01797
(Y1_Tnp) 		4 TYR A  79
GLU A  46
TYR A  71
LEU A  76
 None
 1.12A 3rqwC-2f5gA:
undetectable
3rqwD-2f5gA:
undetectable		 3rqwC-2f5gA:
15.53
3rqwD-2f5gA:
15.53
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.
2fk7 METHOXY MYCOLIC ACID
SYNTHASE 4

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		4 TYR A 241
GLU A 146
TYR A 274
LEU A 275
 None
 1.05A 3rqwC-2fk7A:
undetectable
3rqwD-2fk7A:
undetectable		 3rqwC-2fk7A:
18.10
3rqwD-2fk7A:
18.10
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.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 GLU A 407
TYR A 378
LEU A 399
PHE A 239
 None
 1.03A 3rqwC-2gaiA:
undetectable
3rqwD-2gaiA:
undetectable		 3rqwC-2gaiA:
19.27
3rqwD-2gaiA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 ASN A 130
GLU A  93
TYR A  23
LEU A  26
 PG4  A6002 (-3.5A)
PG4  A6002 (-3.3A)
None
None
 1.00A 3rqwC-2hawA:
undetectable
3rqwD-2hawA:
undetectable		 3rqwC-2hawA:
19.66
3rqwD-2hawA:
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.
2hq7 PROTEIN, RELATED TO
GENERAL STRESS
PROTEIN 26(GS26) OF
B.SUBTILIS

(Clostridium
acetobutylicum) 		PF01243
(Putative_PNPOx) 		4 ASN A  11
GLU A   4
LEU A  44
PHE A 137
 None
 0.96A 3rqwC-2hq7A:
undetectable
3rqwD-2hq7A:
undetectable		 3rqwC-2hq7A:
18.61
3rqwD-2hq7A:
18.61
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.
2mv3 MITOCHONDRIAL INNER
MEMBRANE I-AAA
PROTEASE
SUPERCOMPLEX SUBUNIT
YME1

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A 175
GLU A 142
TYR A 156
PHE A 141
 None
 1.13A 3rqwC-2mv3A:
undetectable
3rqwD-2mv3A:
undetectable		 3rqwC-2mv3A:
13.66
3rqwD-2mv3A:
13.66
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.
2p5z TYPE VI SECRETION
SYSTEM COMPONENT

(Escherichia
coli) 		PF05954
(Phage_GPD) 		4 GLU X  35
TYR X  43
LEU X 108
PHE X  41
 None
 1.13A 3rqwC-2p5zX:
undetectable
3rqwD-2p5zX:
undetectable		 3rqwC-2p5zX:
21.12
3rqwD-2p5zX:
21.12
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.
2p6r AFUHEL308 HELICASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ASN A 602
GLU A 609
GLU A 610
LEU A 486
 None
 0.95A 3rqwC-2p6rA:
undetectable
3rqwD-2p6rA:
undetectable		 3rqwC-2p6rA:
19.01
3rqwD-2p6rA:
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.
2q03 UNCHARACTERIZED
PROTEIN

(Shewanella
denitrificans) 		PF11528
(DUF3224) 		4 GLU A  70
TYR A  42
LEU A  46
PHE A  72
 None
 1.09A 3rqwC-2q03A:
undetectable
3rqwD-2q03A:
undetectable		 3rqwC-2q03A:
17.33
3rqwD-2q03A:
17.33
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.
2rgn RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 25

(Homo sapiens) 		PF00621
(RhoGEF) 		4 TYR B 298
GLU B 172
TYR B 249
LEU B 246
 None
 0.84A 3rqwC-2rgnB:
3.1
3rqwD-2rgnB:
3.1		 3rqwC-2rgnB:
20.78
3rqwD-2rgnB:
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.
2vl8 CYTOTOXIN L

(Paeniclostridium
sordellii) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 ASN A 415
GLU A 261
GLU A 258
TYR A 453
 None
 1.10A 3rqwC-2vl8A:
5.5
3rqwD-2vl8A:
5.5		 3rqwC-2vl8A:
20.07
3rqwD-2vl8A:
20.07
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.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		4 PHE A  68
GLU A  97
LEU A 133
PHE A 144
 None
 1.12A 3rqwC-2yvlA:
undetectable
3rqwD-2yvlA:
undetectable		 3rqwC-2yvlA:
22.42
3rqwD-2yvlA:
22.42
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 TYR A 841
GLU A 839
GLU A 813
TYR A 802
 None
 1.12A 3rqwC-3abzA:
3.1
3rqwD-3abzA:
3.1		 3rqwC-3abzA:
17.65
3rqwD-3abzA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 GLU A 165
TYR A 141
LEU A 159
PHE A 134
 None
 1.14A 3rqwC-3ak5A:
undetectable
3rqwD-3ak5A:
undetectable		 3rqwC-3ak5A:
16.70
3rqwD-3ak5A:
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		4 ASN A 193
TYR A 404
LEU A 402
PHE A 329
 2A3  A 602 ( 3.1A)
None
B12  B 601 (-4.5A)
2A3  A 602 (-3.8A)
 1.10A 3rqwC-3anyA:
undetectable
3rqwD-3anyA:
undetectable		 3rqwC-3anyA:
20.76
3rqwD-3anyA:
20.76
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.
3b6u KINESIN-LIKE PROTEIN
KIF3B

(Homo sapiens) 		PF00225
(Kinesin) 		4 ASN A 195
GLU A 107
TYR A 144
PHE A 219
 None
 1.15A 3rqwC-3b6uA:
undetectable
3rqwD-3b6uA:
undetectable		 3rqwC-3b6uA:
24.93
3rqwD-3b6uA:
24.93
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.
3cnc FIBER PROTEIN

(Human
mastadenovirus
B) 		PF00541
(Adeno_knob) 		4 PHE A 227
TYR A 318
ASN A 308
GLU A 351
 None
 1.11A 3rqwC-3cncA:
undetectable
3rqwD-3cncA:
undetectable		 3rqwC-3cncA:
22.73
3rqwD-3cncA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		4 PHE A 345
GLU A 123
LEU A 384
PHE A 124
 None
 1.14A 3rqwC-3g0iA:
undetectable
3rqwD-3g0iA:
undetectable		 3rqwC-3g0iA:
23.31
3rqwD-3g0iA:
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLU A 176
TYR A 135
LEU A 170
PHE A 110
 None
 1.00A 3rqwC-3h09A:
undetectable
3rqwD-3h09A:
undetectable		 3rqwC-3h09A:
14.18
3rqwD-3h09A:
14.18
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.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		4 PHE A   5
TYR A  18
LEU A  21
PHE A  56
 None
 1.16A 3rqwC-3jxeA:
undetectable
3rqwD-3jxeA:
undetectable		 3rqwC-3jxeA:
20.63
3rqwD-3jxeA:
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.
3kd3 PHOSPHOSERINE
PHOSPHOHYDROLASE-LIK
E PROTEIN

(Francisella
tularensis) 		PF12710
(HAD) 		4 GLU A  23
TYR A  75
LEU A  79
PHE A  71
 None
 1.05A 3rqwC-3kd3A:
undetectable
3rqwD-3kd3A:
undetectable		 3rqwC-3kd3A:
22.29
3rqwD-3kd3A:
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		4 GLU A 358
TYR A 351
LEU A 349
PHE A 355
 None
 1.10A 3rqwC-3khzA:
undetectable
3rqwD-3khzA:
undetectable		 3rqwC-3khzA:
21.78
3rqwD-3khzA:
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.
3kkc TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		PF00440
(TetR_N)
PF14278
(TetR_C_8) 		4 GLU A  78
TYR A 126
LEU A 122
PHE A  77
 None
 0.98A 3rqwC-3kkcA:
undetectable
3rqwD-3kkcA:
undetectable		 3rqwC-3kkcA:
18.90
3rqwD-3kkcA:
18.90
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 PHE A 170
TYR A 125
LEU A 120
PHE A  30
 None
 0.99A 3rqwC-3kt4A:
undetectable
3rqwD-3kt4A:
undetectable		 3rqwC-3kt4A:
21.47
3rqwD-3kt4A:
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ASN A 223
GLU A 203
TYR A 246
LEU A 227
 1PE  A   7 (-3.0A)
1PE  A  13 ( 4.9A)
None
1PE  A   7 ( 4.9A)
 1.05A 3rqwC-3lewA:
2.0
3rqwD-3lewA:
2.0		 3rqwC-3lewA:
19.53
3rqwD-3lewA:
19.53
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.
3lsg TWO-COMPONENT
RESPONSE REGULATOR
YESN

(Fusobacterium
nucleatum) 		PF12833
(HTH_18) 		4 PHE A 240
ASN A 221
GLU A 253
LEU A 214
 None
 1.16A 3rqwC-3lsgA:
undetectable
3rqwD-3lsgA:
undetectable		 3rqwC-3lsgA:
12.42
3rqwD-3lsgA:
12.42
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.
3m0e TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00158
(Sigma54_activat) 		4 ASN A 282
GLU A 306
GLU A 304
TYR A 297
 None
 1.05A 3rqwC-3m0eA:
undetectable
3rqwD-3m0eA:
undetectable		 3rqwC-3m0eA:
19.35
3rqwD-3m0eA:
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 657
GLU A 664
LEU A 633
PHE A 612
 None
 1.06A 3rqwC-3m49A:
undetectable
3rqwD-3m49A:
undetectable		 3rqwC-3m49A:
17.80
3rqwD-3m49A:
17.80
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		4 TYR A1254
GLU A1189
LEU A1142
PHE A1187
 None
 1.01A 3rqwC-3ptaA:
undetectable
3rqwD-3ptaA:
undetectable		 3rqwC-3ptaA:
15.66
3rqwD-3ptaA:
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TYR A 383
GLU A 540
TYR A 445
PHE A 543
 None
 0.95A 3rqwC-3rm5A:
3.5
3rqwD-3rm5A:
3.6		 3rqwC-3rm5A:
18.07
3rqwD-3rm5A:
18.07
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLU A 152
TYR A 121
LEU A 146
PHE A 107
 None
 1.00A 3rqwC-3syjA:
undetectable
3rqwD-3syjA:
undetectable		 3rqwC-3syjA:
15.38
3rqwD-3syjA:
15.38
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.
3t6g SH2
DOMAIN-CONTAINING
PROTEIN 3C

(Homo sapiens) 		PF00617
(RasGEF) 		4 GLU A 652
GLU A 655
LEU A 417
PHE A 661
 None
 1.13A 3rqwC-3t6gA:
undetectable
3rqwD-3t6gA:
undetectable		 3rqwC-3t6gA:
20.56
3rqwD-3t6gA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 PHE A 286
ASN A 289
LEU A 292
PHE A 433
 None
 1.03A 3rqwC-3uowA:
2.0
3rqwD-3uowA:
2.1		 3rqwC-3uowA:
20.14
3rqwD-3uowA:
20.14
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.
3uws HYPOTHETICAL PROTEIN

(Parabacteroides
merdae) 		PF03415
(Peptidase_C11) 		5 TYR B 374
GLU B 185
TYR B 363
LEU B 360
PHE B 350
 EDO  B 402 ( 4.7A)
None
None
None
None
 1.49A 3rqwC-3uwsB:
undetectable
3rqwD-3uwsB:
undetectable		 3rqwC-3uwsB:
20.73
3rqwD-3uwsB:
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASN A 141
GLU A 332
LEU A 111
PHE A 173
 None
 1.09A 3rqwC-3v8xA:
undetectable
3rqwD-3v8xA:
undetectable		 3rqwC-3v8xA:
17.40
3rqwD-3v8xA:
17.40
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.
3wmr PROLINE
IMINOPEPTIDASE

(Streptomyces
halstedii) 		PF00561
(Abhydrolase_1) 		4 ASN A 134
GLU A 282
LEU A 245
PHE A 287
 None
 1.04A 3rqwC-3wmrA:
undetectable
3rqwD-3wmrA:
undetectable		 3rqwC-3wmrA:
19.25
3rqwD-3wmrA:
19.25
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 TYR A 176
GLU A 206
TYR A 311
LEU A 315
 None
 1.04A 3rqwC-3zukA:
undetectable
3rqwD-3zukA:
undetectable		 3rqwC-3zukA:
18.00
3rqwD-3zukA:
18.00
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 PHE A  31
TYR A 335
TYR A 297
LEU A 284
 None
 0.95A 3rqwC-4a2lA:
undetectable
3rqwD-4a2lA:
undetectable		 3rqwC-4a2lA:
18.23
3rqwD-4a2lA:
18.23
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.
4d0n A-KINASE ANCHOR
PROTEIN 13

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 TYR B2157
GLU B2010
TYR B2101
LEU B2097
 None
 1.12A 3rqwC-4d0nB:
2.4
3rqwD-4d0nB:
2.4		 3rqwC-4d0nB:
21.46
3rqwD-4d0nB:
21.46
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.
4d0o A-KINASE ANCHOR
PROTEIN 13

(Homo sapiens) 		PF00621
(RhoGEF) 		4 TYR A2157
GLU A2010
TYR A2101
LEU A2097
 None
 1.10A 3rqwC-4d0oA:
2.6
3rqwD-4d0oA:
2.6		 3rqwC-4d0oA:
21.41
3rqwD-4d0oA:
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.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF) 		4 GLU A 129
TYR A 220
LEU A 217
PHE A 135
 None
 1.11A 3rqwC-4fxqA:
undetectable
3rqwD-4fxqA:
undetectable		 3rqwC-4fxqA:
20.65
3rqwD-4fxqA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4s PROTEASOME ASSEMBLY
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09754
(PAC2) 		4 ASN P  24
GLU P  71
TYR P  59
LEU P  58
 None
 1.08A 3rqwC-4g4sP:
undetectable
3rqwD-4g4sP:
undetectable		 3rqwC-4g4sP:
22.60
3rqwD-4g4sP:
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.
4gft MYOSIN A TAIL DOMAIN
INTERACTING PROTEIN
NANOBODY

(Plasmodium
falciparum;
Lama glama) 		PF13405
(EF-hand_6)
PF07686
(V-set) 		4 PHE B  31
TYR B  34
GLU A 179
GLU B  28
 None
None
PCA  B   2 ( 3.7A)
None
 1.07A 3rqwC-4gftB:
2.5
3rqwD-4gftB:
undetectable		 3rqwC-4gftB:
17.38
3rqwD-4gftB:
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.
4gqo LMO0859 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 PHE A 279
ASN A 357
LEU A 381
PHE A 374
 None
 1.15A 3rqwC-4gqoA:
undetectable
3rqwD-4gqoA:
undetectable		 3rqwC-4gqoA:
20.14
3rqwD-4gqoA:
20.14
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 231
TYR A 253
LEU A 256
PHE A 273
 None
 1.04A 3rqwC-4gxrA:
undetectable
3rqwD-4gxrA:
undetectable		 3rqwC-4gxrA:
21.32
3rqwD-4gxrA:
21.32
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		4 GLU A 343
GLU A 319
TYR A 355
PHE A 255
 ZN  A 502 ( 4.2A)
ZN  A 502 ( 2.5A)
ZN  A 501 (-4.8A)
None
 1.11A 3rqwC-4icqA:
undetectable
3rqwD-4icqA:
undetectable		 3rqwC-4icqA:
21.14
3rqwD-4icqA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		4 PHE A 204
TYR A 260
LEU A   8
PHE A 257
 None
 1.05A 3rqwC-4keqA:
undetectable
3rqwD-4keqA:
undetectable		 3rqwC-4keqA:
22.22
3rqwD-4keqA:
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.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		4 GLU A 108
TYR A 189
LEU A 220
PHE A 111
 None
 1.15A 3rqwC-4mtlA:
undetectable
3rqwD-4mtlA:
undetectable		 3rqwC-4mtlA:
17.18
3rqwD-4mtlA:
17.18
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.
4n0f IGG RECEPTOR FCRN
LARGE SUBUNIT P51

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 PHE A  24
GLU A 151
LEU A  68
PHE A 154
 None
 1.11A 3rqwC-4n0fA:
3.0
3rqwD-4n0fA:
3.0		 3rqwC-4n0fA:
19.58
3rqwD-4n0fA:
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.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		PF09084
(NMT1) 		4 ASN A  17
GLU A 161
TYR A 251
LEU A 252
 None
 0.97A 3rqwC-4nmyA:
undetectable
3rqwD-4nmyA:
undetectable		 3rqwC-4nmyA:
19.94
3rqwD-4nmyA:
19.94
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.
4nzd INTERLEUKIN-21
RECEPTOR

(Homo sapiens) 		PF09238
(IL4Ra_N) 		4 GLU A 170
TYR A 141
LEU A 179
PHE A 171
 None
 1.08A 3rqwC-4nzdA:
undetectable
3rqwD-4nzdA:
undetectable		 3rqwC-4nzdA:
19.86
3rqwD-4nzdA:
19.86
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.
4p0f SERINE PROTEASE
INHIBITOR 4, ISOFORM
B

(Drosophila
melanogaster) 		PF00079
(Serpin) 		4 PHE A 178
GLU A 322
LEU A 270
PHE A 273
 None
 0.99A 3rqwC-4p0fA:
undetectable
3rqwD-4p0fA:
undetectable		 3rqwC-4p0fA:
22.70
3rqwD-4p0fA:
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 368
GLU A 374
TYR A 428
PHE A 394
 None
 0.77A 3rqwC-4p2bA:
undetectable
3rqwD-4p2bA:
undetectable		 3rqwC-4p2bA:
18.26
3rqwD-4p2bA:
18.26
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.
4rs1 GRANULOCYTE-MACROPHA
GE
COLONY-STIMULATING
FACTOR RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		4 PHE B 186
TYR B  92
LEU B  69
PHE B  21
 None
 1.01A 3rqwC-4rs1B:
2.7
3rqwD-4rs1B:
2.8		 3rqwC-4rs1B:
18.82
3rqwD-4rs1B:
18.82
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.
4s1n PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00551
(Formyl_trans_N) 		4 GLU A  62
TYR A  82
LEU A  79
PHE A   7
 None
 1.16A 3rqwC-4s1nA:
undetectable
3rqwD-4s1nA:
undetectable		 3rqwC-4s1nA:
19.88
3rqwD-4s1nA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 BR7  A 401 ( 4.9A)
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
BR7  A 401 (-3.9A)
 0.67A 3rqwC-4twfA:
33.0
3rqwD-4twfA:
33.0		 3rqwC-4twfA:
99.35
3rqwD-4twfA:
99.35
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 PHE A 249
ASN A 235
LEU A 570
PHE A 556
 None
 1.08A 3rqwC-4tz5A:
undetectable
3rqwD-4tz5A:
undetectable		 3rqwC-4tz5A:
18.26
3rqwD-4tz5A:
18.26
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.
4u6d CONSERVED
HYPOTHETICAL
PERIPLASMIC PROTEIN

(Zobellia
galactanivorans) 		no annotation 4 TYR A  65
GLU A 325
LEU A 375
PHE A  68
 None
 1.00A 3rqwC-4u6dA:
undetectable
3rqwD-4u6dA:
undetectable		 3rqwC-4u6dA:
20.61
3rqwD-4u6dA:
20.61
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		4 PHE A 557
GLU A 562
GLU A 563
LEU A 521
 None
 1.07A 3rqwC-4xjxA:
2.3
3rqwD-4xjxA:
2.4		 3rqwC-4xjxA:
15.60
3rqwD-4xjxA:
15.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 None
 0.94A 3rqwC-4yeuA:
29.9
3rqwD-4yeuA:
30.0		 3rqwC-4yeuA:
71.25
3rqwD-4yeuA:
71.25
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.
4zxo GLYCOSYL HYDROLASE
FAMILY 26

(Bacteroides
ovatus) 		PF02156
(Glyco_hydro_26) 		4 ASN A  97
GLU A  64
TYR A 109
LEU A 106
 None
 1.13A 3rqwC-4zxoA:
undetectable
3rqwD-4zxoA:
undetectable		 3rqwC-4zxoA:
20.50
3rqwD-4zxoA:
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 357
GLU A 364
TYR A 417
PHE A 383
 None
 0.84A 3rqwC-5bnzA:
undetectable
3rqwD-5bnzA:
undetectable		 3rqwC-5bnzA:
21.77
3rqwD-5bnzA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 PHE A 393
GLU A 252
TYR A 266
LEU A 260
 None
 0.95A 3rqwC-5c65A:
1.7
3rqwD-5c65A:
1.7		 3rqwC-5c65A:
21.57
3rqwD-5c65A:
21.57
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.
5cy4 OLIGORIBONUCLEASE

(Acinetobacter
baumannii) 		PF00929
(RNase_T) 		4 ASN A  63
GLU A  15
LEU A  19
PHE A 116
 None
CA  A 201 (-3.2A)
None
None
 1.15A 3rqwC-5cy4A:
undetectable
3rqwD-5cy4A:
undetectable		 3rqwC-5cy4A:
18.69
3rqwD-5cy4A:
18.69
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.
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei) 		PF00121
(TIM) 		4 PHE A 230
ASN A 217
TYR A 209
LEU A 221
 None
 1.13A 3rqwC-5eywA:
undetectable
3rqwD-5eywA:
undetectable		 3rqwC-5eywA:
19.53
3rqwD-5eywA:
19.53
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.
5f3y UNCONVENTIONAL
MYOSIN-VIIB

(Mus musculus) 		PF00784
(MyTH4) 		4 PHE A1417
GLU A1455
TYR A1457
LEU A1450
 None
 0.94A 3rqwC-5f3yA:
undetectable
3rqwD-5f3yA:
undetectable		 3rqwC-5f3yA:
19.65
3rqwD-5f3yA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fnx POTATO STI-KUNITZ
BI-FUNCTIONAL
INHIBITOR E3AD_N19D

(Solanum
tuberosum) 		PF00197
(Kunitz_legume) 		4 PHE A 108
ASN A  43
GLU A 114
PHE A  53
 None
 0.87A 3rqwC-5fnxA:
undetectable
3rqwD-5fnxA:
undetectable		 3rqwC-5fnxA:
19.52
3rqwD-5fnxA:
19.52
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.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		4 GLU F 717
TYR F  66
LEU F  69
PHE F 714
 None
 0.93A 3rqwC-5gjwF:
undetectable
3rqwD-5gjwF:
undetectable		 3rqwC-5gjwF:
14.83
3rqwD-5gjwF:
14.83
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.
5gvb WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF12341
(Mcl1_mid) 		4 TYR A 741
GLU A 605
GLU A 581
TYR A 747
 None
 1.07A 3rqwC-5gvbA:
undetectable
3rqwD-5gvbA:
undetectable		 3rqwC-5gvbA:
19.64
3rqwD-5gvbA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iku COLLAGENASE

(Hathewaya
histolytica) 		PF04151
(PPC) 		4 PHE A 835
GLU A 780
TYR A 885
LEU A 827
 None
CA  A2004 (-2.2A)
None
None
 1.11A 3rqwC-5ikuA:
undetectable
3rqwD-5ikuA:
undetectable		 3rqwC-5ikuA:
19.52
3rqwD-5ikuA:
19.52
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 TYR A1254
GLU A1114
LEU A1240
PHE A1113
 None
 0.90A 3rqwC-5m5pA:
2.2
3rqwD-5m5pA:
2.4		 3rqwC-5m5pA:
10.69
3rqwD-5m5pA:
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.
5me4 PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN HTXB

(Pseudomonas
stutzeri) 		no annotation 4 PHE A 139
GLU A 154
TYR A 152
LEU A 121
 None
 1.07A 3rqwC-5me4A:
undetectable
3rqwD-5me4A:
undetectable		 3rqwC-5me4A:
22.90
3rqwD-5me4A:
22.90
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.
5ogs WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		no annotation 4 TYR A 741
GLU A 605
GLU A 581
TYR A 747
 None
 1.07A 3rqwC-5ogsA:
3.6
3rqwD-5ogsA:
undetectable		 3rqwC-5ogsA:
21.43
3rqwD-5ogsA:
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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		4 PHE A 144
GLU A 188
TYR A 186
LEU A  80
 EDO  A 505 ( 4.9A)
None
None
None
 0.95A 3rqwC-5tp4A:
2.1
3rqwD-5tp4A:
undetectable		 3rqwC-5tp4A:
22.17
3rqwD-5tp4A:
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.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1
DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		4 TYR C1593
ASN C1596
GLU G 523
TYR C1573
 None
 1.11A 3rqwC-5x6oC:
4.0
3rqwD-5x6oC:
undetectable		 3rqwC-5x6oC:
undetectable
3rqwD-5x6oC:
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.
5xn6 OS07G0580900 PROTEIN

(Oryza sativa) 		PF00348
(polyprenyl_synt) 		4 PHE A   5
TYR A   8
GLU A  64
LEU A 296
 None
 1.10A 3rqwC-5xn6A:
3.5
3rqwD-5xn6A:
undetectable		 3rqwC-5xn6A:
20.27
3rqwD-5xn6A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bde 2,4-DIHYDROXYHEPT-2-
ENE-1,7-DIOIC ACID
ALDOLASE

(Kordia algicida) 		no annotation 4 PHE A   9
TYR A  70
LEU A  52
PHE A  45
 None
 1.15A 3rqwC-6bdeA:
undetectable
3rqwD-6bdeA:
undetectable		 3rqwC-6bdeA:
undetectable
3rqwD-6bdeA:
undetectable