SIMILAR PATTERNS OF AMINO ACIDS FOR 3RQW_J_ACHJ323

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 GLU A 250
GLU A 254
LEU A 237
PHE A 243
 None
 1.13A 3rqwF-1cjyA:
0.0
3rqwJ-1cjyA:
0.0		 3rqwF-1cjyA:
16.13
3rqwJ-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 GLU A 126
LEU A 205
PHE A  92
ASN A 271
 None
 1.13A 3rqwF-1dljA:
0.0
3rqwJ-1dljA:
0.0		 3rqwF-1dljA:
20.95
3rqwJ-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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		4 GLU A 148
GLU A 151
TYR A 139
LEU A 134
 None
 1.10A 3rqwF-1eu8A:
0.0
3rqwJ-1eu8A:
0.0		 3rqwF-1eu8A:
19.19
3rqwJ-1eu8A:
19.19
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 GLU A 262
TYR A 271
LEU A 272
PHE A  81
 None
 1.10A 3rqwF-1fc4A:
0.0
3rqwJ-1fc4A:
0.0		 3rqwF-1fc4A:
22.97
3rqwJ-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 GLU A 281
TYR A 285
LEU A 270
PHE A 417
 None
 1.03A 3rqwF-1gkpA:
undetectable
3rqwJ-1gkpA:
undetectable		 3rqwF-1gkpA:
18.24
3rqwJ-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 LEU A 265
PHE A 403
PHE A 259
ASN A 262
 None
None
None
AMP  A 527 ( 4.8A)
 0.96A 3rqwF-1gpmA:
0.2
3rqwJ-1gpmA:
0.0		 3rqwF-1gpmA:
19.40
3rqwJ-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 GLU A  93
TYR A  22
LEU A  25
ASN A 130
 None
 1.07A 3rqwF-1i74A:
undetectable
3rqwJ-1i74A:
undetectable		 3rqwF-1i74A:
24.38
3rqwJ-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 GLU B  44
LEU B 108
PHE B 226
ASN B 110
 None
 0.90A 3rqwF-1jk0B:
undetectable
3rqwJ-1jk0B:
undetectable		 3rqwF-1jk0B:
19.50
3rqwJ-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 GLU A 479
GLU A 478
PHE A 116
TYR A 121
 None
 1.07A 3rqwF-1kl7A:
undetectable
3rqwJ-1kl7A:
undetectable		 3rqwF-1kl7A:
21.77
3rqwJ-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 GLU A  21
LEU A  35
PHE A  24
TYR A   8
 SO4  A 500 (-3.8A)
None
None
SO4  A 500 (-3.9A)
 1.04A 3rqwF-1ledA:
undetectable
3rqwJ-1ledA:
0.0		 3rqwF-1ledA:
20.29
3rqwJ-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 GLU A 149
TYR A 160
LEU A 138
TYR A 216
 None
 1.14A 3rqwF-1lshA:
undetectable
3rqwJ-1lshA:
undetectable		 3rqwF-1lshA:
14.34
3rqwJ-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 GLU A 578
TYR A 628
PHE A 577
ASN A 650
 None
 1.12A 3rqwF-1nd7A:
undetectable
3rqwJ-1nd7A:
undetectable		 3rqwF-1nd7A:
21.30
3rqwJ-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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 GLU A 361
TYR A 415
PHE A 381
ASN A 355
 None
 0.95A 3rqwF-1nylA:
undetectable
3rqwJ-1nylA:
undetectable		 3rqwF-1nylA:
21.61
3rqwJ-1nylA:
21.61
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.
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 3rqwF-1pytA:
undetectable
3rqwJ-1pytA:
undetectable		 3rqwF-1pytA:
16.72
3rqwJ-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 GLU A 543
LEU A 505
PHE A 517
TYR A 525
 None
 1.12A 3rqwF-1uokA:
undetectable
3rqwJ-1uokA:
undetectable		 3rqwF-1uokA:
20.32
3rqwJ-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 GLU A 519
TYR A 237
LEU A 211
PHE A 195
 None
C14  A1735 ( 4.4A)
None
None
 1.10A 3rqwF-1w6jA:
1.7
3rqwJ-1w6jA:
undetectable		 3rqwF-1w6jA:
16.55
3rqwJ-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.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		4 GLU A  93
TYR A  23
LEU A  26
ASN A 130
 None
 1.02A 3rqwF-1wpnA:
undetectable
3rqwJ-1wpnA:
undetectable		 3rqwF-1wpnA:
20.19
3rqwJ-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 GLU A 111
LEU A  79
PHE A 205
PHE A 120
 None
 1.14A 3rqwF-1x3wA:
undetectable
3rqwJ-1x3wA:
undetectable		 3rqwF-1x3wA:
22.04
3rqwJ-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.
1yd6 UVRC

([Bacillus]
caldotenax) 		PF01541
(GIY-YIG) 		4 GLU A  58
GLU A  59
TYR A  89
LEU A  93
 None
 1.09A 3rqwF-1yd6A:
undetectable
3rqwJ-1yd6A:
undetectable		 3rqwF-1yd6A:
12.96
3rqwJ-1yd6A:
12.96
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLU A1167
GLU A 894
LEU A 805
PHE A 791
TYR A 767
 None
 1.09A 3rqwF-1yguA:
undetectable
3rqwJ-1yguA:
undetectable		 3rqwF-1yguA:
20.29
3rqwJ-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
 0.94A 3rqwF-1yp4A:
undetectable
3rqwJ-1yp4A:
undetectable		 3rqwF-1yp4A:
21.06
3rqwJ-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)
 1.14A 3rqwF-1zjcA:
undetectable
3rqwJ-1zjcA:
undetectable		 3rqwF-1zjcA:
22.09
3rqwJ-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.
2cow KINESIN-LIKE PROTEIN
KIF13B

(Homo sapiens) 		PF01302
(CAP_GLY) 		4 LEU A  84
PHE A  48
PHE A  75
TYR A  42
 None
 1.10A 3rqwF-2cowA:
undetectable
3rqwJ-2cowA:
undetectable		 3rqwF-2cowA:
15.52
3rqwJ-2cowA:
15.52
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.
2f5g TRANSPOSASE,
PUTATIVE

(Sulfolobus
solfataricus) 		PF01797
(Y1_Tnp) 		4 GLU A  46
TYR A  71
LEU A  76
TYR A  79
 None
 1.12A 3rqwF-2f5gA:
undetectable
3rqwJ-2f5gA:
undetectable		 3rqwF-2f5gA:
15.53
3rqwJ-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 GLU A 146
TYR A 274
LEU A 275
TYR A 241
 None
 1.07A 3rqwF-2fk7A:
undetectable
3rqwJ-2fk7A:
undetectable		 3rqwF-2fk7A:
18.10
3rqwJ-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
 1.04A 3rqwF-2gaiA:
undetectable
3rqwJ-2gaiA:
undetectable		 3rqwF-2gaiA:
19.27
3rqwJ-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 GLU A  93
TYR A  23
LEU A  26
ASN A 130
 PG4  A6002 (-3.3A)
None
None
PG4  A6002 (-3.5A)
 1.02A 3rqwF-2hawA:
undetectable
3rqwJ-2hawA:
undetectable		 3rqwF-2hawA:
19.66
3rqwJ-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 GLU A   4
LEU A  44
PHE A 137
ASN A  11
 None
 0.98A 3rqwF-2hq7A:
undetectable
3rqwJ-2hq7A:
undetectable		 3rqwF-2hq7A:
18.61
3rqwJ-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.
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
 1.14A 3rqwF-2p5zX:
undetectable
3rqwJ-2p5zX:
undetectable		 3rqwF-2p5zX:
21.12
3rqwJ-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 GLU A 609
GLU A 610
LEU A 486
ASN A 602
 None
 0.95A 3rqwF-2p6rA:
2.0
3rqwJ-2p6rA:
undetectable		 3rqwF-2p6rA:
19.01
3rqwJ-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 3rqwF-2q03A:
undetectable
3rqwJ-2q03A:
undetectable		 3rqwF-2q03A:
17.33
3rqwJ-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 GLU B 172
TYR B 249
LEU B 246
TYR B 298
 None
 0.86A 3rqwF-2rgnB:
2.1
3rqwJ-2rgnB:
undetectable		 3rqwF-2rgnB:
20.78
3rqwJ-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 GLU A 261
GLU A 258
TYR A 453
ASN A 415
 None
 1.10A 3rqwF-2vl8A:
undetectable
3rqwJ-2vl8A:
undetectable		 3rqwF-2vl8A:
20.07
3rqwJ-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 GLU A  97
LEU A 133
PHE A 144
PHE A  68
 None
 1.13A 3rqwF-2yvlA:
undetectable
3rqwJ-2yvlA:
undetectable		 3rqwF-2yvlA:
22.42
3rqwJ-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.
2z0f PUTATIVE
PHOSPHOGLUCOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 GLU A 418
GLU A 414
LEU A 334
PHE A 502
 None
 1.11A 3rqwF-2z0fA:
undetectable
3rqwJ-2z0fA:
undetectable		 3rqwF-2z0fA:
19.88
3rqwJ-2z0fA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 GLU A 839
GLU A 813
TYR A 802
TYR A 841
 None
 1.14A 3rqwF-3abzA:
2.8
3rqwJ-3abzA:
2.3		 3rqwF-3abzA:
17.65
3rqwJ-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
 1.15A 3rqwF-3ak5A:
undetectable
3rqwJ-3ak5A:
undetectable		 3rqwF-3ak5A:
16.70
3rqwJ-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 TYR A 404
LEU A 402
PHE A 329
ASN A 193
 None
B12  B 601 (-4.5A)
2A3  A 602 (-3.8A)
2A3  A 602 ( 3.1A)
 1.13A 3rqwF-3anyA:
undetectable
3rqwJ-3anyA:
undetectable		 3rqwF-3anyA:
20.76
3rqwJ-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 GLU A 107
TYR A 144
PHE A 219
ASN A 195
 None
 1.15A 3rqwF-3b6uA:
undetectable
3rqwJ-3b6uA:
undetectable		 3rqwF-3b6uA:
24.93
3rqwJ-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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLU A 511
TYR A 522
LEU A 537
TYR A 469
 None
 1.13A 3rqwF-3bc9A:
undetectable
3rqwJ-3bc9A:
undetectable		 3rqwF-3bc9A:
21.13
3rqwJ-3bc9A:
21.13
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.
3cnc FIBER PROTEIN

(Human
mastadenovirus
B) 		PF00541
(Adeno_knob) 		4 GLU A 351
PHE A 227
TYR A 318
ASN A 308
 None
 1.11A 3rqwF-3cncA:
undetectable
3rqwJ-3cncA:
undetectable		 3rqwF-3cncA:
22.73
3rqwJ-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 GLU A 123
LEU A 384
PHE A 124
PHE A 345
 None
 1.12A 3rqwF-3g0iA:
undetectable
3rqwJ-3g0iA:
undetectable		 3rqwF-3g0iA:
23.31
3rqwJ-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 3rqwF-3h09A:
undetectable
3rqwJ-3h09A:
undetectable		 3rqwF-3h09A:
14.18
3rqwJ-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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		4 GLU A 358
TYR A 351
LEU A 349
PHE A 355
 None
 1.12A 3rqwF-3khzA:
undetectable
3rqwJ-3khzA:
undetectable		 3rqwF-3khzA:
21.78
3rqwJ-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
 0.99A 3rqwF-3kkcA:
undetectable
3rqwJ-3kkcA:
undetectable		 3rqwF-3kkcA:
18.90
3rqwJ-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 TYR A 125
LEU A 120
PHE A  30
PHE A 170
 None
 0.98A 3rqwF-3kt4A:
undetectable
3rqwJ-3kt4A:
undetectable		 3rqwF-3kt4A:
21.47
3rqwJ-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 GLU A 203
TYR A 246
LEU A 227
ASN A 223
 1PE  A  13 ( 4.9A)
None
1PE  A   7 ( 4.9A)
1PE  A   7 (-3.0A)
 1.06A 3rqwF-3lewA:
1.6
3rqwJ-3lewA:
undetectable		 3rqwF-3lewA:
19.53
3rqwJ-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.
3m0e TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00158
(Sigma54_activat) 		4 GLU A 306
GLU A 304
TYR A 297
ASN A 282
 None
 1.04A 3rqwF-3m0eA:
undetectable
3rqwJ-3m0eA:
undetectable		 3rqwF-3m0eA:
19.35
3rqwJ-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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		4 GLU A1189
LEU A1142
PHE A1187
TYR A1254
 None
 0.98A 3rqwF-3ptaA:
undetectable
3rqwJ-3ptaA:
undetectable		 3rqwF-3ptaA:
15.66
3rqwJ-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 GLU A 540
TYR A 445
PHE A 543
TYR A 383
 None
 0.94A 3rqwF-3rm5A:
undetectable
3rqwJ-3rm5A:
undetectable		 3rqwF-3rm5A:
18.07
3rqwJ-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
 1.01A 3rqwF-3syjA:
undetectable
3rqwJ-3syjA:
undetectable		 3rqwF-3syjA:
15.38
3rqwJ-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 3rqwF-3t6gA:
undetectable
3rqwJ-3t6gA:
undetectable		 3rqwF-3t6gA:
20.56
3rqwJ-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 LEU A 292
PHE A 433
PHE A 286
ASN A 289
 None
 1.05A 3rqwF-3uowA:
undetectable
3rqwJ-3uowA:
undetectable		 3rqwF-3uowA:
20.14
3rqwJ-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 GLU B 185
TYR B 363
LEU B 360
PHE B 350
TYR B 374
 None
None
None
None
EDO  B 402 ( 4.7A)
 1.50A 3rqwF-3uwsB:
undetectable
3rqwJ-3uwsB:
undetectable		 3rqwF-3uwsB:
20.73
3rqwJ-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 GLU A 332
LEU A 111
PHE A 173
ASN A 141
 None
 1.09A 3rqwF-3v8xA:
undetectable
3rqwJ-3v8xA:
undetectable		 3rqwF-3v8xA:
17.40
3rqwJ-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 GLU A 282
LEU A 245
PHE A 287
ASN A 134
 None
 1.05A 3rqwF-3wmrA:
undetectable
3rqwJ-3wmrA:
undetectable		 3rqwF-3wmrA:
19.25
3rqwJ-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 GLU A 206
TYR A 311
LEU A 315
TYR A 176
 None
 1.08A 3rqwF-3zukA:
undetectable
3rqwJ-3zukA:
undetectable		 3rqwF-3zukA:
18.00
3rqwJ-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 TYR A 297
LEU A 284
PHE A  31
TYR A 335
 None
 0.97A 3rqwF-4a2lA:
undetectable
3rqwJ-4a2lA:
undetectable		 3rqwF-4a2lA:
18.23
3rqwJ-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 GLU B2010
TYR B2101
LEU B2097
TYR B2157
 None
 1.13A 3rqwF-4d0nB:
2.8
3rqwJ-4d0nB:
undetectable		 3rqwF-4d0nB:
21.46
3rqwJ-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 GLU A2010
TYR A2101
LEU A2097
TYR A2157
 None
 1.10A 3rqwF-4d0oA:
2.7
3rqwJ-4d0oA:
undetectable		 3rqwF-4d0oA:
21.41
3rqwJ-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.
4dny METALLOPROTEASE STCE

(Escherichia
coli) 		no annotation 4 GLU A 247
TYR A 220
LEU A 195
PHE A 208
 None
 1.09A 3rqwF-4dnyA:
undetectable
3rqwJ-4dnyA:
undetectable		 3rqwF-4dnyA:
17.52
3rqwJ-4dnyA:
17.52
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.
4f41 PROTELOMERASE

(Agrobacterium
fabrum) 		PF16684
(Telomere_res) 		4 GLU A 358
GLU A 357
LEU A 219
TYR A 408
 None
 1.11A 3rqwF-4f41A:
undetectable
3rqwJ-4f41A:
undetectable		 3rqwF-4f41A:
21.49
3rqwJ-4f41A:
21.49
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.
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
 1.13A 3rqwF-4fxqA:
undetectable
3rqwJ-4fxqA:
undetectable		 3rqwF-4fxqA:
20.65
3rqwJ-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 GLU P  71
TYR P  59
LEU P  58
ASN P  24
 None
 1.07A 3rqwF-4g4sP:
undetectable
3rqwJ-4g4sP:
undetectable		 3rqwF-4g4sP:
22.60
3rqwJ-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.
4gqo LMO0859 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 LEU A 381
PHE A 374
PHE A 279
ASN A 357
 None
 1.14A 3rqwF-4gqoA:
undetectable
3rqwJ-4gqoA:
undetectable		 3rqwF-4gqoA:
20.14
3rqwJ-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 TYR A 253
LEU A 256
PHE A 273
PHE A 231
 None
 1.01A 3rqwF-4gxrA:
undetectable
3rqwJ-4gxrA:
undetectable		 3rqwF-4gxrA:
21.32
3rqwJ-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
 1.13A 3rqwF-4icqA:
undetectable
3rqwJ-4icqA:
undetectable		 3rqwF-4icqA:
21.14
3rqwJ-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 TYR A 260
LEU A   8
PHE A 257
PHE A 204
 None
 1.04A 3rqwF-4keqA:
undetectable
3rqwJ-4keqA:
undetectable		 3rqwF-4keqA:
22.22
3rqwJ-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
 1.12A 3rqwF-4mtlA:
undetectable
3rqwJ-4mtlA:
undetectable		 3rqwF-4mtlA:
17.18
3rqwJ-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 GLU A 151
LEU A  68
PHE A 154
PHE A  24
 None
 1.10A 3rqwF-4n0fA:
3.1
3rqwJ-4n0fA:
2.1		 3rqwF-4n0fA:
19.58
3rqwJ-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 GLU A 161
TYR A 251
LEU A 252
ASN A  17
 None
 0.99A 3rqwF-4nmyA:
undetectable
3rqwJ-4nmyA:
undetectable		 3rqwF-4nmyA:
19.94
3rqwJ-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 3rqwF-4nzdA:
undetectable
3rqwJ-4nzdA:
undetectable		 3rqwF-4nzdA:
19.86
3rqwJ-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 GLU A 322
LEU A 270
PHE A 273
PHE A 178
 None
 0.99A 3rqwF-4p0fA:
undetectable
3rqwJ-4p0fA:
undetectable		 3rqwF-4p0fA:
22.70
3rqwJ-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 GLU A 374
TYR A 428
PHE A 394
ASN A 368
 None
 0.74A 3rqwF-4p2bA:
undetectable
3rqwJ-4p2bA:
undetectable		 3rqwF-4p2bA:
18.26
3rqwJ-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.
4rc6 ALDEHYDE
DECARBONYLASE

(Synechococcus
elongatus) 		PF11266
(Ald_deCOase) 		4 TYR B  39
LEU B  42
PHE B 150
PHE B  94
 None
 1.11A 3rqwF-4rc6B:
undetectable
3rqwJ-4rc6B:
undetectable		 3rqwF-4rc6B:
23.00
3rqwJ-4rc6B:
23.00
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.
4rs1 GRANULOCYTE-MACROPHA
GE
COLONY-STIMULATING
FACTOR RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		4 TYR B  92
LEU B  69
PHE B  21
PHE B 186
 None
 1.01A 3rqwF-4rs1B:
2.1
3rqwJ-4rs1B:
undetectable		 3rqwF-4rs1B:
18.82
3rqwJ-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.
4trq NUCLEAR MRNA EXPORT
PROTEIN THP1
26S PROTEASOME
COMPLEX SUBUNIT SEM1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05160
(DSS1_SEM1) 		4 GLU C  36
LEU B 250
PHE C  38
PHE B 290
 None
 1.15A 3rqwF-4trqC:
undetectable
3rqwJ-4trqC:
undetectable		 3rqwF-4trqC:
15.68
3rqwJ-4trqC:
15.68
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)
 0.68A 3rqwF-4twfA:
33.0
3rqwJ-4twfA:
33.0		 3rqwF-4twfA:
99.35
3rqwJ-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 LEU A 570
PHE A 556
PHE A 249
ASN A 235
 None
 1.08A 3rqwF-4tz5A:
undetectable
3rqwJ-4tz5A:
undetectable		 3rqwF-4tz5A:
18.26
3rqwJ-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 GLU A 325
LEU A 375
PHE A  68
TYR A  65
 None
 1.01A 3rqwF-4u6dA:
undetectable
3rqwJ-4u6dA:
undetectable		 3rqwF-4u6dA:
20.61
3rqwJ-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 GLU A 562
GLU A 563
LEU A 521
PHE A 557
 None
 1.06A 3rqwF-4xjxA:
undetectable
3rqwJ-4xjxA:
undetectable		 3rqwF-4xjxA:
15.60
3rqwJ-4xjxA:
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.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA

(Thermotoga
maritima) 		PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker) 		4 GLU A 176
GLU A 179
LEU A 234
PHE A 168
 None
 1.14A 3rqwF-4yxmA:
2.4
3rqwJ-4yxmA:
3.0		 3rqwF-4yxmA:
20.05
3rqwJ-4yxmA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 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 GLU A  64
TYR A 109
LEU A 106
ASN A  97
 None
 1.11A 3rqwF-4zxoA:
undetectable
3rqwJ-4zxoA:
undetectable		 3rqwF-4zxoA:
20.50
3rqwJ-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 GLU A 364
TYR A 417
PHE A 383
ASN A 357
 None
 0.83A 3rqwF-5bnzA:
undetectable
3rqwJ-5bnzA:
undetectable		 3rqwF-5bnzA:
21.77
3rqwJ-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 GLU A 252
TYR A 266
LEU A 260
PHE A 393
 None
 1.01A 3rqwF-5c65A:
undetectable
3rqwJ-5c65A:
undetectable		 3rqwF-5c65A:
21.57
3rqwJ-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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 GLU A 356
LEU A 382
PHE A 358
PHE A 384
 None
 1.10A 3rqwF-5cj5A:
undetectable
3rqwJ-5cj5A:
undetectable		 3rqwF-5cj5A:
17.86
3rqwJ-5cj5A:
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.
5cy4 OLIGORIBONUCLEASE

(Acinetobacter
baumannii) 		PF00929
(RNase_T) 		4 GLU A  15
LEU A  19
PHE A 116
ASN A  63
 CA  A 201 (-3.2A)
None
None
None
 1.14A 3rqwF-5cy4A:
undetectable
3rqwJ-5cy4A:
undetectable		 3rqwF-5cy4A:
18.69
3rqwJ-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.
5f3y UNCONVENTIONAL
MYOSIN-VIIB

(Mus musculus) 		PF00784
(MyTH4) 		4 GLU A1455
TYR A1457
LEU A1450
PHE A1417
 None
 0.98A 3rqwF-5f3yA:
undetectable
3rqwJ-5f3yA:
undetectable		 3rqwF-5f3yA:
19.65
3rqwJ-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 GLU A 114
PHE A  53
PHE A 108
ASN A  43
 None
 0.86A 3rqwF-5fnxA:
undetectable
3rqwJ-5fnxA:
undetectable		 3rqwF-5fnxA:
19.52
3rqwJ-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
 0.94A 3rqwF-5gjwF:
undetectable
3rqwJ-5gjwF:
undetectable		 3rqwF-5gjwF:
14.83
3rqwJ-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 GLU A 605
GLU A 581
TYR A 747
TYR A 741
 None
 1.05A 3rqwF-5gvbA:
undetectable
3rqwJ-5gvbA:
undetectable		 3rqwF-5gvbA:
19.64
3rqwJ-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 GLU A 780
TYR A 885
LEU A 827
PHE A 835
 CA  A2004 (-2.2A)
None
None
None
 1.10A 3rqwF-5ikuA:
undetectable
3rqwJ-5ikuA:
undetectable		 3rqwF-5ikuA:
19.52
3rqwJ-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 GLU A1114
LEU A1240
PHE A1113
TYR A1254
 None
 0.95A 3rqwF-5m5pA:
undetectable
3rqwJ-5m5pA:
undetectable		 3rqwF-5m5pA:
10.69
3rqwJ-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 GLU A 154
TYR A 152
LEU A 121
PHE A 139
 None
 1.05A 3rqwF-5me4A:
undetectable
3rqwJ-5me4A:
undetectable		 3rqwF-5me4A:
22.90
3rqwJ-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 GLU A 605
GLU A 581
TYR A 747
TYR A 741
 None
 1.05A 3rqwF-5ogsA:
2.8
3rqwJ-5ogsA:
undetectable		 3rqwF-5ogsA:
21.43
3rqwJ-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 GLU A 188
TYR A 186
LEU A  80
PHE A 144
 None
None
None
EDO  A 505 ( 4.9A)
 0.90A 3rqwF-5tp4A:
undetectable
3rqwJ-5tp4A:
undetectable		 3rqwF-5tp4A:
22.17
3rqwJ-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 GLU G 523
TYR C1573
TYR C1593
ASN C1596
 None
 1.12A 3rqwF-5x6oG:
1.5
3rqwJ-5x6oG:
undetectable		 3rqwF-5x6oG:
undetectable
3rqwJ-5x6oG:
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 GLU A  64
LEU A 296
PHE A   5
TYR A   8
 None
 1.05A 3rqwF-5xn6A:
2.1
3rqwJ-5xn6A:
undetectable		 3rqwF-5xn6A:
20.27
3rqwJ-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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 GLU A1688
PHE A1320
TYR A1323
ASN A1327
 None
 1.14A 3rqwF-6b3rA:
2.5
3rqwJ-6b3rA:
undetectable		 3rqwF-6b3rA:
undetectable
3rqwJ-6b3rA:
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.
6bde 2,4-DIHYDROXYHEPT-2-
ENE-1,7-DIOIC ACID
ALDOLASE

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