SIMILAR PATTERNS OF AMINO ACIDS FOR 3RQL_B_H4BB760

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.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		4 PHE A 207
GLU A 204
SER A 203
ARG A 104
 None
 1.37A 3rqlA-1a88A:
0.0
3rqlB-1a88A:
0.0		 3rqlA-1a88A:
21.83
3rqlB-1a88A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 TRP A 673
PHE A 681
GLU A 649
VAL A 667
 None
 1.31A 3rqlA-1c4kA:
0.0
3rqlB-1c4kA:
undetectable		 3rqlA-1c4kA:
19.07
3rqlB-1c4kA:
19.07
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.
1eyx R-PHYCOERYTHRIN

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		4 GLU A  25
SER A  26
ARG A  17
VAL A   8
 None
 1.35A 3rqlA-1eyxA:
2.2
3rqlB-1eyxA:
undetectable		 3rqlA-1eyxA:
17.95
3rqlB-1eyxA:
17.95
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 PHE A 501
GLU A 519
VAL A  41
TRP A 521
 None
 1.34A 3rqlA-1flgA:
undetectable
3rqlB-1flgA:
undetectable		 3rqlA-1flgA:
19.67
3rqlB-1flgA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF02854
(MIF4G)
PF09088
(MIF4G_like)
PF09090
(MIF4G_like_2) 		4 PHE C 360
GLU C 353
MET C 291
VAL C 216
 None
 1.26A 3rqlA-1h2tC:
0.0
3rqlB-1h2tC:
0.0		 3rqlA-1h2tC:
19.48
3rqlB-1h2tC:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h3j PEROXIDASE

(Coprinopsis
cinerea) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 258
PHE A 211
MET A 268
VAL A 177
 None
HSO  A 183 ( 3.5A)
None
None
 1.26A 3rqlA-1h3jA:
undetectable
3rqlB-1h3jA:
0.0		 3rqlA-1h3jA:
22.84
3rqlB-1h3jA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 PHE L 502
GLU L 339
SER L 236
ARG L 500
 None
 0.92A 3rqlA-1kfuL:
undetectable
3rqlB-1kfuL:
0.0		 3rqlA-1kfuL:
20.98
3rqlB-1kfuL:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 PHE A 220
GLU A 222
ARG A 282
VAL A 226
 None
 1.31A 3rqlA-1kh2A:
0.0
3rqlB-1kh2A:
0.0		 3rqlA-1kh2A:
22.65
3rqlB-1kh2A:
22.65
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.
1kl9 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT 1

(Homo sapiens) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		4 PHE A 130
GLU A  37
SER A 104
VAL A 107
 None
 1.36A 3rqlA-1kl9A:
2.6
3rqlB-1kl9A:
undetectable		 3rqlA-1kl9A:
17.33
3rqlB-1kl9A:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.36A 3rqlA-1l5jA:
3.7
3rqlB-1l5jA:
0.0		 3rqlA-1l5jA:
19.28
3rqlB-1l5jA:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		5 SER A 334
MET A 336
ARG A 596
VAL A 677
TRP A 678
 None
H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 (-4.6A)
H4B  A 760 ( 3.6A)
 0.43A 3rqlA-1lzxA:
62.6
3rqlB-1lzxA:
62.3		 3rqlA-1lzxA:
100.00
3rqlB-1lzxA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.03A 3rqlA-1mzbA:
undetectable
3rqlB-1mzbA:
undetectable		 3rqlA-1mzbA:
16.59
3rqlB-1mzbA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima) 		PF00117
(GATase) 		4 GLU A 155
SER A 154
ARG A 133
VAL A 116
 None
None
SO4  A 404 ( 4.6A)
None
 1.36A 3rqlA-1o1yA:
undetectable
3rqlB-1o1yA:
undetectable		 3rqlA-1o1yA:
20.70
3rqlB-1o1yA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 TRP A 435
PHE A 432
MET A 440
VAL A 401
 None
 1.03A 3rqlA-1pduA:
undetectable
3rqlB-1pduA:
undetectable		 3rqlA-1pduA:
21.05
3rqlB-1pduA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 SER A 112
MET A 114
ARG A 375
TRP A 457
 H4B  A 901 (-4.8A)
H4B  A 901 (-4.0A)
H4B  A 901 (-3.4A)
H4B  A 901 ( 3.7A)
 0.34A 3rqlA-1qw5A:
57.9
3rqlB-1qw5A:
58.0		 3rqlA-1qw5A:
63.90
3rqlB-1qw5A:
63.90
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.
1wf0 TAR DNA-BINDING
PROTEIN-43

(Homo sapiens) 		PF00076
(RRM_1) 		4 PHE A  26
GLU A  21
MET A  17
VAL A  35
 None
 1.12A 3rqlA-1wf0A:
undetectable
3rqlB-1wf0A:
undetectable		 3rqlA-1wf0A:
11.85
3rqlB-1wf0A:
11.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas
fluorescens) 		PF00866
(Ring_hydroxyl_B) 		4 PHE B 163
GLU B  26
ARG B 156
VAL B 128
 None
 1.18A 3rqlA-1wqlB:
undetectable
3rqlB-1wqlB:
undetectable		 3rqlA-1wqlB:
19.79
3rqlB-1wqlB:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x6m GLUTATHIONE-DEPENDEN
T
FORMALDEHYDE-ACTIVAT
ING ENZYME

(Paracoccus
denitrificans) 		PF04828
(GFA) 		4 GLU A 149
SER A 150
ARG A 161
VAL A 152
 None
 1.36A 3rqlA-1x6mA:
undetectable
3rqlB-1x6mA:
undetectable		 3rqlA-1x6mA:
18.85
3rqlB-1x6mA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys9 PROTEIN SPY1043

(Streptococcus
pyogenes) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 PHE A  27
GLU A 251
SER A 248
VAL A 225
 None
 1.29A 3rqlA-1ys9A:
undetectable
3rqlB-1ys9A:
undetectable		 3rqlA-1ys9A:
20.93
3rqlB-1ys9A:
20.93
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 PHE A 722
GLU A 693
ARG A 708
VAL A1424
 None
 1.05A 3rqlA-2b39A:
2.5
3rqlB-2b39A:
undetectable		 3rqlA-2b39A:
13.58
3rqlB-2b39A:
13.58
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.
2c1w ENDOU PROTEIN

(Xenopus laevis) 		PF09412
(XendoU) 		4 PHE A 246
GLU A 251
SER A 254
VAL A 269
 None
 1.36A 3rqlA-2c1wA:
undetectable
3rqlB-2c1wA:
undetectable		 3rqlA-2c1wA:
20.72
3rqlB-2c1wA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 GLU A 555
ARG A 586
VAL A 578
TRP A 579
 None
 1.29A 3rqlA-2fjaA:
undetectable
3rqlB-2fjaA:
undetectable		 3rqlA-2fjaA:
22.29
3rqlB-2fjaA:
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 TRP B 788
GLU A 360
ARG A  62
VAL A 367
 None
 1.36A 3rqlA-2fjaB:
undetectable
3rqlB-2fjaB:
undetectable		 3rqlA-2fjaB:
18.25
3rqlB-2fjaB:
18.25
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		4 PHE A  87
GLU A  92
SER A  93
VAL A  95
 None
 0.93A 3rqlA-2ftpA:
undetectable
3rqlB-2ftpA:
undetectable		 3rqlA-2ftpA:
20.78
3rqlB-2ftpA:
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.
2g6z DUAL SPECIFICITY
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00782
(DSPc) 		4 GLU A 264
SER A 263
VAL A 211
TRP A 227
 SO4  A 502 ( 3.9A)
SO4  A 501 (-2.6A)
None
None
 1.34A 3rqlA-2g6zA:
undetectable
3rqlB-2g6zA:
undetectable		 3rqlA-2g6zA:
19.48
3rqlB-2g6zA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hnl GLUTATHIONE
S-TRANSFERASE 1

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 PHE A 142
GLU A 147
SER A 148
MET A 151
 None
 1.28A 3rqlA-2hnlA:
undetectable
3rqlB-2hnlA:
undetectable		 3rqlA-2hnlA:
18.62
3rqlB-2hnlA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2if6 HYPOTHETICAL PROTEIN
YIIX

(Escherichia
coli) 		PF05708
(Peptidase_C92) 		4 GLU A 130
SER A 129
ARG A 143
VAL A 184
 UNX  A   1 (-2.2A)
None
None
None
 1.36A 3rqlA-2if6A:
undetectable
3rqlB-2if6A:
undetectable		 3rqlA-2if6A:
18.89
3rqlB-2if6A:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pag HYPOTHETICAL PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF14567
(SUKH_5) 		4 PHE A  42
SER A 123
VAL A 106
TRP A 127
 None
 1.31A 3rqlA-2pagA:
undetectable
3rqlB-2pagA:
undetectable		 3rqlA-2pagA:
16.01
3rqlB-2pagA:
16.01
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.
2pv3 CHAPERONE SURA

(Escherichia
coli) 		PF00639
(Rotamase)
PF09312
(SurA_N) 		4 PHE A 406
SER A 412
MET A 414
TRP A 413
 None
 1.35A 3rqlA-2pv3A:
undetectable
3rqlB-2pv3A:
undetectable		 3rqlA-2pv3A:
22.59
3rqlB-2pv3A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vof BCL-2-RELATED
PROTEIN A1

(Mus musculus) 		PF00452
(Bcl-2) 		4 PHE A  93
GLU A  14
SER A 119
VAL A 122
 None
 1.35A 3rqlA-2vofA:
1.2
3rqlB-2vofA:
undetectable		 3rqlA-2vofA:
16.59
3rqlB-2vofA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 PHE A 698
GLU A 722
ARG A 697
VAL A 717
 None
 1.33A 3rqlA-2xvgA:
0.0
3rqlB-2xvgA:
undetectable		 3rqlA-2xvgA:
19.68
3rqlB-2xvgA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xw7 DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		PF01872
(RibD_C) 		4 TRP A 152
GLU A 151
SER A 150
VAL A 122
 None
 1.28A 3rqlA-2xw7A:
undetectable
3rqlB-2xw7A:
undetectable		 3rqlA-2xw7A:
18.14
3rqlB-2xw7A:
18.14
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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 PHE A 309
GLU A 305
ARG A 211
VAL A 239
 None
 1.34A 3rqlA-2ywbA:
undetectable
3rqlB-2ywbA:
undetectable		 3rqlA-2ywbA:
21.54
3rqlB-2ywbA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 GLU A 140
SER A  60
VAL A  68
TRP A  69
 None
 1.20A 3rqlA-3a24A:
0.8
3rqlB-3a24A:
undetectable		 3rqlA-3a24A:
20.59
3rqlB-3a24A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjd PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE

(Pseudomonas
aeruginosa) 		PF14515
(HOASN)
PF14518
(Haem_oxygenas_2) 		4 GLU A 122
SER A 127
ARG A 256
VAL A 130
 None
 1.36A 3rqlA-3bjdA:
undetectable
3rqlB-3bjdA:
undetectable		 3rqlA-3bjdA:
21.53
3rqlB-3bjdA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3by9 SENSOR PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		4 TRP A 185
GLU A 182
SER A 205
MET A 203
 None
 1.35A 3rqlA-3by9A:
undetectable
3rqlB-3by9A:
undetectable		 3rqlA-3by9A:
19.42
3rqlB-3by9A:
19.42
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.
3d2w TAR DNA-BINDING
PROTEIN 43

(Mus musculus) 		PF00076
(RRM_1) 		4 PHE A 211
GLU A 206
MET A 202
VAL A 220
 None
 1.06A 3rqlA-3d2wA:
undetectable
3rqlB-3d2wA:
undetectable		 3rqlA-3d2wA:
12.22
3rqlB-3d2wA:
12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 SER A 118
MET A 120
ARG A 381
TRP A 463
 None
H4B  A 902 (-3.8A)
H4B  A 902 (-3.9A)
H4B  A 902 ( 3.6A)
 0.47A 3rqlA-3e7gA:
57.3
3rqlB-3e7gA:
57.5		 3rqlA-3e7gA:
65.64
3rqlB-3e7gA:
65.64
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.
3efa PUTATIVE
ACETYLTRANSFERASE

(Lactobacillus
plantarum) 		PF13673
(Acetyltransf_10) 		4 PHE A  35
SER A  30
ARG A  19
VAL A  24
 None
 1.24A 3rqlA-3efaA:
undetectable
3rqlB-3efaA:
undetectable		 3rqlA-3efaA:
17.09
3rqlB-3efaA:
17.09
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.
3eli AHA1 DOMAIN PROTEIN

(Ruegeria
pomeroyi) 		PF08327
(AHSA1) 		4 TRP A  84
GLU A  96
SER A  97
VAL A  99
 None
 1.34A 3rqlA-3eliA:
undetectable
3rqlB-3eliA:
undetectable		 3rqlA-3eliA:
15.93
3rqlB-3eliA:
15.93
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.
3ez0 UNCHARACTERIZED
PROTEIN WITH
FERRITIN-LIKE FOLD

(Arthrobacter
sp. FB24) 		PF13794
(MiaE_2) 		4 GLU A 131
SER A 119
ARG A  66
VAL A 122
 None
 1.32A 3rqlA-3ez0A:
undetectable
3rqlB-3ez0A:
undetectable		 3rqlA-3ez0A:
19.14
3rqlB-3ez0A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		4 GLU A 157
SER A 156
VAL A 175
TRP A 153
 None
 1.29A 3rqlA-3f4kA:
undetectable
3rqlB-3f4kA:
undetectable		 3rqlA-3f4kA:
20.65
3rqlB-3f4kA:
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLU A 545
SER A 544
MET A 548
VAL A 467
 None
 1.34A 3rqlA-3fahA:
undetectable
3rqlB-3fahA:
undetectable		 3rqlA-3fahA:
17.52
3rqlB-3fahA:
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 TRP B  88
GLU A 380
ARG A  66
VAL A 387
 None
 1.29A 3rqlA-3gyxB:
undetectable
3rqlB-3gyxB:
undetectable		 3rqlA-3gyxB:
16.67
3rqlB-3gyxB:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1u BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		4 PHE A  29
GLU A  75
SER A 262
VAL A 275
 None
MG  A 409 (-3.1A)
None
None
 1.19A 3rqlA-3k1uA:
undetectable
3rqlB-3k1uA:
undetectable		 3rqlA-3k1uA:
20.97
3rqlB-3k1uA:
20.97
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.
3k2t LMO2511 PROTEIN

(Listeria
monocytogenes) 		PF16321
(Ribosom_S30AE_C) 		4 GLU A  17
SER A  15
MET A  13
VAL A  43
 None
 1.20A 3rqlA-3k2tA:
undetectable
3rqlB-3k2tA:
undetectable		 3rqlA-3k2tA:
13.84
3rqlB-3k2tA:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mga ENTEROCHELIN
ESTERASE

(Salmonella
enterica) 		PF00756
(Esterase)
PF11806
(DUF3327) 		4 SER A 310
ARG A 114
VAL A 353
TRP A 314
 None
 1.18A 3rqlA-3mgaA:
undetectable
3rqlB-3mgaA:
undetectable		 3rqlA-3mgaA:
21.88
3rqlB-3mgaA:
21.88
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.
3mga ENTEROCHELIN
ESTERASE

(Salmonella
enterica) 		PF00756
(Esterase)
PF11806
(DUF3327) 		4 SER A 310
ARG A 118
VAL A 353
TRP A 314
 None
GOL  A 407 ( 4.6A)
None
None
 0.88A 3rqlA-3mgaA:
undetectable
3rqlB-3mgaA:
undetectable		 3rqlA-3mgaA:
21.88
3rqlB-3mgaA:
21.88
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 PHE A  75
GLU A  83
ARG A  64
VAL A 132
 None
None
TS5  A 620 (-2.3A)
None
 1.18A 3rqlA-3o98A:
undetectable
3rqlB-3o98A:
undetectable		 3rqlA-3o98A:
20.85
3rqlB-3o98A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.23A 3rqlA-3owcA:
undetectable
3rqlB-3owcA:
undetectable		 3rqlA-3owcA:
16.47
3rqlB-3owcA:
16.47
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		4 PHE A 238
SER A 267
ARG A 240
VAL A 249
 None
 1.29A 3rqlA-3p2cA:
undetectable
3rqlB-3p2cA:
undetectable		 3rqlA-3p2cA:
22.03
3rqlB-3p2cA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 249
PHE A 203
MET A 259
VAL A 169
 None
 1.29A 3rqlA-3q3uA:
undetectable
3rqlB-3q3uA:
undetectable		 3rqlA-3q3uA:
21.09
3rqlB-3q3uA:
21.09
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.26A 3rqlA-3rjyA:
1.5
3rqlB-3rjyA:
undetectable		 3rqlA-3rjyA:
21.27
3rqlB-3rjyA:
21.27
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 None
 1.35A 3rqlA-3ti8A:
undetectable
3rqlB-3ti8A:
undetectable		 3rqlA-3ti8A:
22.64
3rqlB-3ti8A:
22.64
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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		4 PHE A 162
GLU A 156
ARG A 109
VAL A 166
 None
MG  A 213 (-3.2A)
None
None
 1.32A 3rqlA-3uxmA:
undetectable
3rqlB-3uxmA:
undetectable		 3rqlA-3uxmA:
20.29
3rqlB-3uxmA:
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		4 PHE A 353
GLU A 203
SER A 202
VAL A 200
 None
 1.16A 3rqlA-3v7iA:
undetectable
3rqlB-3v7iA:
undetectable		 3rqlA-3v7iA:
20.82
3rqlB-3v7iA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vx8 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Arabidopsis
thaliana) 		no annotation 4 PHE D 177
GLU D 180
SER D 212
VAL D 208
 None
 1.18A 3rqlA-3vx8D:
undetectable
3rqlB-3vx8D:
undetectable		 3rqlA-3vx8D:
20.52
3rqlB-3vx8D:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 PHE A 136
GLU A 219
SER A 218
TRP A 217
 None
HY0  A 401 (-4.0A)
HY0  A 401 (-3.5A)
None
 1.22A 3rqlA-3w0sA:
undetectable
3rqlB-3w0sA:
undetectable		 3rqlA-3w0sA:
19.50
3rqlB-3w0sA:
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 TRP C2314
PHE C2329
GLU C2310
VAL C2274
 None
 1.30A 3rqlA-4bgdC:
undetectable
3rqlB-4bgdC:
undetectable		 3rqlA-4bgdC:
20.99
3rqlB-4bgdC:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ce4 MRPL44

(Sus scrofa) 		no annotation 4 PHE h 196
GLU h 127
SER h 131
ARG h 192
 None
 1.21A 3rqlA-4ce4h:
undetectable
3rqlB-4ce4h:
undetectable		 3rqlA-4ce4h:
20.33
3rqlB-4ce4h:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		4 GLU A 109
SER A  88
MET A 115
VAL A 121
 SAM  A 301 (-2.9A)
None
None
None
 1.31A 3rqlA-4df3A:
undetectable
3rqlB-4df3A:
undetectable		 3rqlA-4df3A:
19.58
3rqlB-4df3A:
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.32A 3rqlA-4g76A:
undetectable
3rqlB-4g76A:
undetectable		 3rqlA-4g76A:
19.86
3rqlB-4g76A:
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		4 SER A  36
MET A 517
ARG A  95
VAL A  39
 None
 1.25A 3rqlA-4ia5A:
undetectable
3rqlB-4ia5A:
undetectable		 3rqlA-4ia5A:
21.27
3rqlB-4ia5A:
21.27
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.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		4 PHE A  76
GLU A 143
SER A  87
ARG A  74
 None
 1.31A 3rqlA-4kdzA:
undetectable
3rqlB-4kdzA:
undetectable		 3rqlA-4kdzA:
15.09
3rqlB-4kdzA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 327
GLU B 424
VAL B 351
TRP B 355
 None
 1.09A 3rqlA-4l37B:
undetectable
3rqlB-4l37B:
undetectable		 3rqlA-4l37B:
20.69
3rqlB-4l37B:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9o BETA-2-MICROGLOBULIN

(Danio rerio) 		PF07654
(C1-set) 		4 GLU A  77
SER A  92
VAL A   9
TRP A  93
 None
 1.31A 3rqlA-4m9oA:
undetectable
3rqlB-4m9oA:
undetectable		 3rqlA-4m9oA:
12.62
3rqlB-4m9oA:
12.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 TRP A 218
PHE A 286
ARG A 385
TRP A 387
 None
 1.37A 3rqlA-4mh1A:
undetectable
3rqlB-4mh1A:
undetectable		 3rqlA-4mh1A:
21.16
3rqlB-4mh1A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		4 PHE A 101
GLU A  97
SER A  95
VAL A 386
 None
 1.28A 3rqlA-4n9xA:
undetectable
3rqlB-4n9xA:
undetectable		 3rqlA-4n9xA:
22.15
3rqlB-4n9xA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oro POLYMERASE PB2

(Influenza B
virus) 		PF00604
(Flu_PB2) 		4 PHE A 365
SER A 407
ARG A 334
TRP A 359
 None
None
GDP  A 501 (-4.1A)
GDP  A 501 (-3.3A)
 1.15A 3rqlA-4oroA:
undetectable
3rqlB-4oroA:
undetectable		 3rqlA-4oroA:
18.21
3rqlB-4oroA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT D

(Thermococcus
kodakarensis) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		4 GLU D 188
SER D 162
VAL D 165
TRP D 168
 None
 1.17A 3rqlA-4qiwD:
undetectable
3rqlB-4qiwD:
undetectable		 3rqlA-4qiwD:
20.75
3rqlB-4qiwD:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qo5 HYPOTHETICAL
MULTIHEME PROTEIN

(Ignicoccus
hospitalis) 		PF13435
(Cytochrome_C554)
PF13447
(Multi-haem_cyto) 		4 TRP A 278
PHE A 275
GLU A 280
SER A 281
 HEC  A 607 (-4.7A)
None
None
None
 1.32A 3rqlA-4qo5A:
2.6
3rqlB-4qo5A:
undetectable		 3rqlA-4qo5A:
21.94
3rqlB-4qo5A:
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLU A 306
SER A 308
VAL A 370
TRP A 369
 None
 1.27A 3rqlA-4udrA:
undetectable
3rqlB-4udrA:
undetectable		 3rqlA-4udrA:
22.40
3rqlB-4udrA:
22.40
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.15A 3rqlA-4xj6A:
2.2
3rqlB-4xj6A:
undetectable		 3rqlA-4xj6A:
21.06
3rqlB-4xj6A:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.09A 3rqlA-4xj6A:
2.2
3rqlB-4xj6A:
undetectable		 3rqlA-4xj6A:
21.06
3rqlB-4xj6A:
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.
4z48 UNCHARACTERIZED
PROTEIN

(Desulfovibrio
piger) 		PF17131
(LolA_like) 		4 SER A 105
ARG A 127
VAL A 103
TRP A 104
 None
 1.00A 3rqlA-4z48A:
undetectable
3rqlB-4z48A:
undetectable		 3rqlA-4z48A:
21.29
3rqlB-4z48A:
21.29
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.
4zva DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF11563
(Protoglobin) 		4 TRP A  12
GLU A  11
MET A   8
VAL A  84
 None
 1.32A 3rqlA-4zvaA:
undetectable
3rqlB-4zvaA:
undetectable		 3rqlA-4zvaA:
18.86
3rqlB-4zvaA:
18.86
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.
5bni UNCHARACTERIZED
PROTEIN

(Sus scrofa) 		PF02267
(Rib_hydrolayse) 		4 PHE A  94
SER A 163
VAL A 189
TRP A 193
 None
 1.34A 3rqlA-5bniA:
undetectable
3rqlB-5bniA:
undetectable		 3rqlA-5bniA:
20.95
3rqlB-5bniA:
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
 None
 1.37A 3rqlA-5by3A:
undetectable
3rqlB-5by3A:
undetectable		 3rqlA-5by3A:
19.82
3rqlB-5by3A:
19.82
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 PHE A 206
SER A 254
ARG A 518
VAL A 271
 None
 1.12A 3rqlA-5c2vA:
undetectable
3rqlB-5c2vA:
undetectable		 3rqlA-5c2vA:
18.00
3rqlB-5c2vA:
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.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		4 GLU A 217
SER A 220
ARG A 269
VAL A 224
 None
 1.31A 3rqlA-5f5wA:
undetectable
3rqlB-5f5wA:
undetectable		 3rqlA-5f5wA:
21.38
3rqlB-5f5wA:
21.38
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.
5f9q MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN YKNZ

(Bacillus
amyloliquefaciens) 		PF12704
(MacB_PCD) 		4 PHE A 123
SER A 115
MET A 160
VAL A 145
 None
 1.31A 3rqlA-5f9qA:
2.1
3rqlB-5f9qA:
undetectable		 3rqlA-5f9qA:
19.86
3rqlB-5f9qA:
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 PHE B 633
SER B 884
ARG B 644
VAL B 671
 None
 1.26A 3rqlA-5gjeB:
undetectable
3rqlB-5gjeB:
undetectable		 3rqlA-5gjeB:
20.07
3rqlB-5gjeB:
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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 TRP A 239
PHE A 249
GLU A 205
SER A 201
 None
 1.10A 3rqlA-5iwzA:
2.0
3rqlB-5iwzA:
undetectable		 3rqlA-5iwzA:
22.00
3rqlB-5iwzA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jmv PROBABLE
BIFUNCTIONAL TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN
UNCHARACTERIZED
PROTEIN

(Methanocaldococcus
jannaschii;
Pyrococcus
furiosus) 		PF00814
(Peptidase_M22)
PF09341
(Pcc1) 		4 SER A  82
ARG A  91
VAL A  85
TRP D  72
 None
 1.36A 3rqlA-5jmvA:
undetectable
3rqlB-5jmvA:
undetectable		 3rqlA-5jmvA:
21.23
3rqlB-5jmvA:
21.23
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 TRP A  83
PHE A  61
GLU A  84
VAL A  92
 None
 1.34A 3rqlA-5kn8A:
undetectable
3rqlB-5kn8A:
undetectable		 3rqlA-5kn8A:
22.28
3rqlB-5kn8A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.07A 3rqlA-5m8tA:
undetectable
3rqlB-5m8tA:
undetectable		 3rqlA-5m8tA:
20.00
3rqlB-5m8tA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 4 PHE A  43
GLU A 282
SER A 278
ARG A  44
 None
 1.37A 3rqlA-5mqzA:
undetectable
3rqlB-5mqzA:
undetectable		 3rqlA-5mqzA:
15.18
3rqlB-5mqzA:
15.18
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.
5ovu BETA-PROTEOBACTERIA
PROTEASOME HOMOLOGUE

(Cupriavidus
metallidurans) 		no annotation 4 PHE A  80
GLU A 126
SER A 123
VAL A 109
 None
 1.25A 3rqlA-5ovuA:
undetectable
3rqlB-5ovuA:
undetectable		 3rqlA-5ovuA:
10.29
3rqlB-5ovuA:
10.29
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.
5tul TETRACYCLINE
DESTRUCTASE TET(55)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		4 TRP A 346
PHE A 343
GLU A 349
SER A 350
 None
 1.23A 3rqlA-5tulA:
1.5
3rqlB-5tulA:
undetectable		 3rqlA-5tulA:
21.55
3rqlB-5tulA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		4 PHE A 132
GLU A  38
SER A 398
VAL A 153
 None
None
SO4  A 502 (-2.8A)
None
 1.36A 3rqlA-5u2nA:
undetectable
3rqlB-5u2nA:
undetectable		 3rqlA-5u2nA:
20.57
3rqlB-5u2nA:
20.57
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.
5w62 APOPTOSIS REGULATOR
BAX

(Mus musculus) 		no annotation 4 PHE A  30
GLU A  61
SER A  62
ARG A  34
 None
 1.23A 3rqlA-5w62A:
1.8
3rqlB-5w62A:
undetectable		 3rqlA-5w62A:
11.75
3rqlB-5w62A:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wly UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Escherichia
coli) 		no annotation 4 TRP A 219
GLU A 222
SER A 224
ARG A  24
 None
 1.15A 3rqlA-5wlyA:
undetectable
3rqlB-5wlyA:
undetectable		 3rqlA-5wlyA:
13.32
3rqlB-5wlyA:
13.32
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.
5x89 ENDA-LIKE
PROTEIN,TRNA-SPLICIN
G ENDONUCLEASE

(Methanopyrus
kandleri) 		no annotation 4 PHE A 258
GLU A 253
MET A 249
VAL A 231
 None
 0.96A 3rqlA-5x89A:
undetectable
3rqlB-5x89A:
undetectable		 3rqlA-5x89A:
12.70
3rqlB-5x89A:
12.70
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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 4 PHE A 113
GLU A 106
ARG A 129
VAL A  65
 None
 1.23A 3rqlA-5xf7A:
undetectable
3rqlB-5xf7A:
undetectable		 3rqlA-5xf7A:
10.85
3rqlB-5xf7A:
10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgp SECRETED XWNT8
INHIBITOR SIZZLED

(Xenopus laevis) 		PF01392
(Fz) 		4 PHE A 180
GLU A 222
VAL A 254
TRP A 224
 None
 0.87A 3rqlA-5xgpA:
undetectable
3rqlB-5xgpA:
undetectable		 3rqlA-5xgpA:
19.67
3rqlB-5xgpA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 TRP H  49
MET H 105
VAL D  98
TRP D  91
 None
 1.19A 3rqlA-5xwdH:
undetectable
3rqlB-5xwdH:
undetectable		 3rqlA-5xwdH:
9.59
3rqlB-5xwdH:
9.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 GLU A 322
ARG A 331
VAL A 317
TRP A 316
 None
None
UDP  A 501 ( 4.8A)
None
 1.27A 3rqlA-6bk1A:
undetectable
3rqlB-6bk1A:
undetectable		 3rqlA-6bk1A:
13.48
3rqlB-6bk1A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cri -

(-) 		no annotation 4 GLU M 193
SER M 192
ARG M 421
VAL M 189
 None
 1.19A 3rqlA-6criM:
undetectable
3rqlB-6criM:
undetectable		 3rqlA-6criM:
undetectable
3rqlB-6criM:
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.
6eux POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 4 PHE A 365
SER A 407
ARG A 334
TRP A 359
 None
None
BYB  A 601 ( 4.8A)
BYB  A 601 (-3.4A)
 1.37A 3rqlA-6euxA:
undetectable
3rqlB-6euxA:
undetectable		 3rqlA-6euxA:
11.42
3rqlB-6euxA:
11.42
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 PHE A  78
GLU A 971
SER A 969
VAL A 963
 None
 1.33A 3rqlA-6fn1A:
2.8
3rqlB-6fn1A:
undetectable		 3rqlA-6fn1A:
14.60
3rqlB-6fn1A:
14.60