SIMILAR PATTERNS OF AMINO ACIDS FOR 3NLR_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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 PHE A 222
VAL A 326
ARG A 219
VAL A 209
 None
 1.12A 3nlrA-1b41A:
0.0
3nlrB-1b41A:
0.0		 3nlrA-1b41A:
20.61
3nlrB-1b41A:
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 PHE A 222
VAL A 326
ARG A 219
VAL A 209
 None
 0.99A 3nlrA-1c2oA:
0.0
3nlrB-1c2oA:
0.0		 3nlrA-1c2oA:
20.04
3nlrB-1c2oA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ccz PROTEIN (CD58)

(Homo sapiens) 		PF05790
(C2-set) 		4 GLU A  72
VAL A  92
ARG A  52
VAL A  13
 None
 0.94A 3nlrA-1cczA:
0.0
3nlrB-1cczA:
0.0		 3nlrA-1cczA:
17.72
3nlrB-1cczA:
17.72
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.
1edz 5,10-METHYLENETETRAH
YDROFOLATE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 PHE A  42
GLU A 121
VAL A 120
VAL A 114
 None
 1.17A 3nlrA-1edzA:
0.0
3nlrB-1edzA:
0.0		 3nlrA-1edzA:
22.27
3nlrB-1edzA:
22.27
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.
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
 1.13A 3nlrA-1flgA:
0.0
3nlrB-1flgA:
undetectable		 3nlrA-1flgA:
19.84
3nlrB-1flgA:
19.84
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.
1hqo URE2 PROTEIN

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 GLU A 260
VAL A 334
VAL A 299
TRP A 337
 None
 1.06A 3nlrA-1hqoA:
0.0
3nlrB-1hqoA:
0.5		 3nlrA-1hqoA:
19.28
3nlrB-1hqoA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9) 		4 GLU A 313
SER A 314
VAL A 316
VAL A 422
 None
 0.94A 3nlrA-1ia7A:
0.0
3nlrB-1ia7A:
0.0		 3nlrA-1ia7A:
21.41
3nlrB-1ia7A:
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.
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
 0.87A 3nlrA-1kfuL:
undetectable
3nlrB-1kfuL:
0.0		 3nlrA-1kfuL:
20.55
3nlrB-1kfuL:
20.55
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) 		4 SER A 334
ARG A 596
VAL A 677
TRP A 678
 None
H4B  A 760 (-3.5A)
H4B  A 760 (-4.6A)
H4B  A 760 ( 3.6A)
 0.52A 3nlrA-1lzxA:
63.2
3nlrB-1lzxA:
62.3		 3nlrA-1lzxA:
99.52
3nlrB-1lzxA:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.22A 3nlrA-1m9qA:
59.6
3nlrB-1m9qA:
30.7		 3nlrA-1m9qA:
65.19
3nlrB-1m9qA:
65.19
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.06A 3nlrA-1mzbA:
undetectable
3nlrB-1mzbA:
undetectable		 3nlrA-1mzbA:
16.59
3nlrB-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.
1nfd H57 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU E  83
VAL E 106
ARG E  61
VAL E  19
 None
 1.10A 3nlrA-1nfdE:
undetectable
3nlrB-1nfdE:
undetectable		 3nlrA-1nfdE:
18.93
3nlrB-1nfdE:
18.93
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.
1ot8 NEUROGENIC LOCUS
NOTCH PROTEIN

(Drosophila
melanogaster) 		PF12796
(Ank_2) 		4 GLU A 226
SER A 225
VAL A 223
VAL A 233
 None
 1.07A 3nlrA-1ot8A:
undetectable
3nlrB-1ot8A:
undetectable		 3nlrA-1ot8A:
18.86
3nlrB-1ot8A:
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.
1pw3 IMMUNOGLOBULIN
LAMBDA CHAIN
VARIABLE REGION

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A  83
VAL A 106
ARG A  61
VAL A  19
 None
 0.90A 3nlrA-1pw3A:
undetectable
3nlrB-1pw3A:
undetectable		 3nlrA-1pw3A:
13.95
3nlrB-1pw3A:
13.95
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 SER A  95
VAL A  99
VAL A 389
TRP A  98
 None
 1.06A 3nlrA-1w27A:
undetectable
3nlrB-1w27A:
undetectable		 3nlrA-1w27A:
20.92
3nlrB-1w27A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 GLU A 143
SER A 179
VAL A 181
VAL A 149
 None
 0.80A 3nlrA-1w61A:
undetectable
3nlrB-1w61A:
undetectable		 3nlrA-1w61A:
19.96
3nlrB-1w61A:
19.96
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.
1xn6 HYPOTHETICAL PROTEIN
BC4709

(Bacillus cereus) 		PF08327
(AHSA1) 		4 PHE A  16
VAL A  27
VAL A 140
TRP A  36
 None
 1.01A 3nlrA-1xn6A:
undetectable
3nlrB-1xn6A:
undetectable		 3nlrA-1xn6A:
15.33
3nlrB-1xn6A:
15.33
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.
1z9m GAPA225

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A 115
VAL A 136
ARG A  92
VAL A  56
 None
 1.08A 3nlrA-1z9mA:
undetectable
3nlrB-1z9mA:
undetectable		 3nlrA-1z9mA:
17.61
3nlrB-1z9mA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a9m FLUORESCEIN-SCFV
LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 GLU L 101
VAL L 147
ARG L  77
VAL L  19
 None
 1.00A 3nlrA-2a9mL:
undetectable
3nlrB-2a9mL:
undetectable		 3nlrA-2a9mL:
13.74
3nlrB-2a9mL:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b1n SPE31

(Pachyrhizus
erosus) 		PF00112
(Peptidase_C1) 		4 SER A  72
VAL A  76
VAL A  58
TRP A  75
 None
 1.01A 3nlrA-2b1nA:
undetectable
3nlrB-2b1nA:
undetectable		 3nlrA-2b1nA:
19.29
3nlrB-2b1nA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3nlrA-2b39A:
undetectable
3nlrB-2b39A:
undetectable		 3nlrA-2b39A:
13.74
3nlrB-2b39A:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6c HYPOTHETICAL PROTEIN
EF3068

(Enterococcus
faecalis) 		PF08713
(DNA_alkylation) 		4 SER A 113
VAL A 115
VAL A  80
TRP A 114
 None
 0.85A 3nlrA-2b6cA:
undetectable
3nlrB-2b6cA:
undetectable		 3nlrA-2b6cA:
19.15
3nlrB-2b6cA:
19.15
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.
2ebw DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF16589
(BRCT_2) 		4 TRP A 113
GLU A 116
SER A 117
VAL A 115
 None
 1.13A 3nlrA-2ebwA:
undetectable
3nlrB-2ebwA:
undetectable		 3nlrA-2ebwA:
13.28
3nlrB-2ebwA:
13.28
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		4 PHE A  87
GLU A  92
SER A  93
VAL A  95
 None
 0.96A 3nlrA-2ftpA:
undetectable
3nlrB-2ftpA:
undetectable		 3nlrA-2ftpA:
20.78
3nlrB-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.
2jvo NUCLEOLAR PROTEIN 3

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 PHE A  52
GLU A  47
VAL A  43
VAL A  61
 None
 1.14A 3nlrA-2jvoA:
undetectable
3nlrB-2jvoA:
undetectable		 3nlrA-2jvoA:
13.56
3nlrB-2jvoA:
13.56
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.
2mmo THIOREDOXIN

(Plasmodium
falciparum) 		PF00085
(Thioredoxin) 		4 GLU A  10
SER A   7
VAL A   5
VAL A  60
 None
 1.01A 3nlrA-2mmoA:
undetectable
3nlrB-2mmoA:
undetectable		 3nlrA-2mmoA:
16.22
3nlrB-2mmoA:
16.22
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 PHE A 296
VAL A  52
ARG A 311
VAL A  44
 None
EOH  A 502 (-4.7A)
None
None
 1.15A 3nlrA-2nxfA:
undetectable
3nlrB-2nxfA:
undetectable		 3nlrA-2nxfA:
22.59
3nlrB-2nxfA:
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.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		4 GLU A 465
SER A 430
VAL A 426
ARG A 453
 None
 1.08A 3nlrA-2oceA:
undetectable
3nlrB-2oceA:
undetectable		 3nlrA-2oceA:
20.63
3nlrB-2oceA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p9w MAL S 1 ALLERGENIC
PROTEIN

(Malassezia
sympodialis) 		no annotation 4 PHE A 176
SER A 194
VAL A 186
VAL A 146
 None
 1.14A 3nlrA-2p9wA:
undetectable
3nlrB-2p9wA:
undetectable		 3nlrA-2p9wA:
21.22
3nlrB-2p9wA:
21.22
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.
2qq2 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Homo sapiens) 		PF03061
(4HBT) 		4 PHE A 320
SER A 283
VAL A 300
VAL A 247
 None
 1.15A 3nlrA-2qq2A:
undetectable
3nlrB-2qq2A:
undetectable		 3nlrA-2qq2A:
17.51
3nlrB-2qq2A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vut NITROGEN METABOLITE
REPRESSION REGULATOR
NMRA

(Aspergillus
nidulans) 		PF05368
(NmrA) 		4 PHE A 181
SER A 224
VAL A 228
TRP A 189
 None
 1.17A 3nlrA-2vutA:
undetectable
3nlrB-2vutA:
undetectable		 3nlrA-2vutA:
22.10
3nlrB-2vutA:
22.10
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.
2xbl PHOSPHOHEPTOSE
ISOMERASE

(Burkholderia
pseudomallei) 		PF13580
(SIS_2) 		4 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.12A 3nlrA-2xblA:
undetectable
3nlrB-2xblA:
undetectable		 3nlrA-2xblA:
17.84
3nlrB-2xblA:
17.84
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.
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
 1.18A 3nlrA-3a24A:
undetectable
3nlrB-3a24A:
undetectable		 3nlrA-3a24A:
20.34
3nlrB-3a24A:
20.34
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 SER A 259
VAL A 111
ARG A 146
VAL A 123
 None
 0.83A 3nlrA-3ak5A:
undetectable
3nlrB-3ak5A:
undetectable		 3nlrA-3ak5A:
19.11
3nlrB-3ak5A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euw MYO-INOSITOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A  59
GLU A  57
SER A  54
VAL A  52
 None
 1.09A 3nlrA-3euwA:
undetectable
3nlrB-3euwA:
undetectable		 3nlrA-3euwA:
19.86
3nlrB-3euwA:
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.
3hcy PUTATIVE
TWO-COMPONENT SENSOR
HISTIDINE KINASE
PROTEIN

(Sinorhizobium
meliloti) 		PF13185
(GAF_2) 		4 PHE A  74
GLU A  80
SER A  81
VAL A  83
 None
 1.01A 3nlrA-3hcyA:
undetectable
3nlrB-3hcyA:
undetectable		 3nlrA-3hcyA:
20.29
3nlrB-3hcyA:
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.
3kxa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neisseria
gonorrhoeae) 		PF01381
(HTH_3) 		4 PHE A  65
GLU A 118
VAL A 114
VAL A 105
 None
 1.04A 3nlrA-3kxaA:
undetectable
3nlrB-3kxaA:
undetectable		 3nlrA-3kxaA:
17.40
3nlrB-3kxaA:
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.
3lrh ANTI-HUNTINGTIN VL
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A  84
VAL A 109
ARG A  62
VAL A  18
 None
 0.90A 3nlrA-3lrhA:
undetectable
3nlrB-3lrhA:
undetectable		 3nlrA-3lrhA:
17.01
3nlrB-3lrhA:
17.01
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.
3mga ENTEROCHELIN
ESTERASE

(Salmonella
enterica) 		PF00756
(Esterase)
PF11806
(DUF3327) 		4 SER A 310
ARG A 114
VAL A 353
TRP A 314
 None
 1.11A 3nlrA-3mgaA:
undetectable
3nlrB-3mgaA:
undetectable		 3nlrA-3mgaA:
21.88
3nlrB-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
 0.89A 3nlrA-3mgaA:
undetectable
3nlrB-3mgaA:
undetectable		 3nlrA-3mgaA:
21.88
3nlrB-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.
3mj9 JUNCTIONAL ADHESION
MOLECULE-LIKE

(Mus musculus) 		PF07686
(V-set) 		4 GLU A  94
VAL A 118
ARG A  70
VAL A  21
 None
 1.07A 3nlrA-3mj9A:
undetectable
3nlrB-3mj9A:
undetectable		 3nlrA-3mj9A:
21.26
3nlrB-3mj9A:
21.26
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.
3p30 1281 FAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 0.88A 3nlrA-3p30L:
undetectable
3nlrB-3p30L:
undetectable		 3nlrA-3p30L:
19.95
3nlrB-3p30L:
19.95
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 SER A 243
VAL A  84
ARG A 126
VAL A  96
 None
 0.91A 3nlrA-3syjA:
undetectable
3nlrB-3syjA:
undetectable		 3nlrA-3syjA:
17.74
3nlrB-3syjA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t2n ANTIBODY, FAB
FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 0.87A 3nlrA-3t2nL:
undetectable
3nlrB-3t2nL:
undetectable		 3nlrA-3t2nL:
20.15
3nlrB-3t2nL:
20.15
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.
3ux9 SCFV ANTIBODY

(Homo sapiens) 		PF07686
(V-set) 		4 GLU B  86
VAL B 111
ARG B  64
VAL B  20
 None
 1.11A 3nlrA-3ux9B:
undetectable
3nlrB-3ux9B:
undetectable		 3nlrA-3ux9B:
21.18
3nlrB-3ux9B:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 3nlrA-3v7iA:
undetectable
3nlrB-3v7iA:
0.5		 3nlrA-3v7iA:
20.14
3nlrB-3v7iA:
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 PHE A  67
GLU A  73
VAL A  72
TRP A  71
 None
None
None
PVG  A 201 (-3.6A)
 1.04A 3nlrA-3vv4A:
undetectable
3nlrB-3vv4A:
undetectable		 3nlrA-3vv4A:
19.24
3nlrB-3vv4A:
19.24
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.
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
 1.17A 3nlrA-3vx8D:
undetectable
3nlrB-3vx8D:
undetectable		 3nlrA-3vx8D:
20.75
3nlrB-3vx8D:
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		4 GLU A 279
SER A 276
VAL A 278
ARG A 118
 None
 1.14A 3nlrA-3wvsA:
undetectable
3nlrB-3wvsA:
undetectable		 3nlrA-3wvsA:
22.04
3nlrB-3wvsA:
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.
3zl4 A17 ANTIBODY FAB
FRAGMENT LAMBDA
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  84
VAL L 108
ARG L  62
VAL L  18
 None
 1.03A 3nlrA-3zl4L:
undetectable
3nlrB-3zl4L:
undetectable		 3nlrA-3zl4L:
19.53
3nlrB-3zl4L:
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.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 PHE A 158
SER A 164
VAL A 166
TRP A 165
 None
 0.85A 3nlrA-3zq6A:
undetectable
3nlrB-3zq6A:
0.0		 3nlrA-3zq6A:
21.35
3nlrB-3zq6A:
21.35
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.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF12738
(PTCB-BRCT) 		4 GLU A  80
SER A  81
VAL A  83
TRP A  82
 None
 1.08A 3nlrA-4bu0A:
undetectable
3nlrB-4bu0A:
undetectable		 3nlrA-4bu0A:
19.61
3nlrB-4bu0A:
19.61
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.
4ce4 MRPL44

(Sus scrofa) 		no annotation 4 PHE h 196
GLU h 127
SER h 131
ARG h 192
 None
 1.18A 3nlrA-4ce4h:
undetectable
3nlrB-4ce4h:
undetectable		 3nlrA-4ce4h:
20.33
3nlrB-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.
4dfi POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 2

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A 105
VAL A 128
ARG A  72
VAL A  20
 None
 1.04A 3nlrA-4dfiA:
undetectable
3nlrB-4dfiA:
undetectable		 3nlrA-4dfiA:
14.76
3nlrB-4dfiA:
14.76
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.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLU A 218
VAL A 214
ARG A 200
VAL A 193
 None
 0.90A 3nlrA-4eq5A:
undetectable
3nlrB-4eq5A:
undetectable		 3nlrA-4eq5A:
20.71
3nlrB-4eq5A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmf POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 1

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2)
PF13927
(Ig_3) 		4 GLU A 119
VAL A 142
ARG A  96
VAL A  47
 None
 1.01A 3nlrA-4fmfA:
undetectable
3nlrB-4fmfA:
undetectable		 3nlrA-4fmfA:
21.40
3nlrB-4fmfA:
21.40
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.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		4 PHE A 384
SER A 390
VAL A 392
ARG A 278
 HEM  A 501 (-4.0A)
None
None
None
 0.92A 3nlrA-4gs1A:
undetectable
3nlrB-4gs1A:
undetectable		 3nlrA-4gs1A:
20.22
3nlrB-4gs1A:
20.22
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.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		4 PHE A 397
GLU A 384
SER A 386
VAL A  61
 None
 1.13A 3nlrA-4k7cA:
undetectable
3nlrB-4k7cA:
undetectable		 3nlrA-4k7cA:
21.11
3nlrB-4k7cA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kqt PUTATIVE OUTER
MEMBRANE CHAPERONE
(OMPH-LIKE)

(Caulobacter
vibrioides) 		PF03938
(OmpH) 		4 PHE A  48
SER A  56
VAL A  54
VAL A 180
 None
 1.09A 3nlrA-4kqtA:
undetectable
3nlrB-4kqtA:
undetectable		 3nlrA-4kqtA:
18.18
3nlrB-4kqtA:
18.18
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.
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
 1.00A 3nlrA-4l37B:
undetectable
3nlrB-4l37B:
undetectable		 3nlrA-4l37B:
20.83
3nlrB-4l37B:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 4 PHE E  37
GLU E  39
VAL E  45
VAL E 249
 None
 1.11A 3nlrA-4l95E:
undetectable
3nlrB-4l95E:
undetectable		 3nlrA-4l95E:
19.10
3nlrB-4l95E:
19.10
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.10A 3nlrA-4o6xA:
undetectable
3nlrB-4o6xA:
undetectable		 3nlrA-4o6xA:
14.69
3nlrB-4o6xA:
14.69
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.
4rnr PGT130 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU B  83
VAL B 106
ARG B  61
VAL B  19
 None
 1.06A 3nlrA-4rnrB:
undetectable
3nlrB-4rnrB:
undetectable		 3nlrA-4rnrB:
19.39
3nlrB-4rnrB:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.00A 3nlrA-4u3vA:
undetectable
3nlrB-4u3vA:
undetectable		 3nlrA-4u3vA:
20.81
3nlrB-4u3vA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4unu IG LAMBDA CHAIN V-II
REGION MGC

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A  85
VAL A 109
ARG A  63
VAL A  18
 None
 0.98A 3nlrA-4unuA:
undetectable
3nlrB-4unuA:
undetectable		 3nlrA-4unuA:
13.92
3nlrB-4unuA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1d SINGLE CHAIN
ANTIBODY FRAGMENT
RU1, LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 GLU E 223
VAL E 248
ARG E 201
VAL E 157
 None
 1.05A 3nlrA-4v1dE:
undetectable
3nlrB-4v1dE:
undetectable		 3nlrA-4v1dE:
14.76
3nlrB-4v1dE:
14.76
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.15A 3nlrA-4xj6A:
undetectable
3nlrB-4xj6A:
undetectable		 3nlrA-4xj6A:
21.06
3nlrB-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.
4y5x DIABODY 310 VH
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 GLU B  84
VAL B 109
ARG B  62
VAL B  18
 None
 0.91A 3nlrA-4y5xB:
undetectable
3nlrB-4y5xB:
undetectable		 3nlrA-4y5xB:
14.45
3nlrB-4y5xB:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		4 GLU A  32
SER A  33
VAL A  31
VAL A   8
 None
 1.15A 3nlrA-4yjiA:
undetectable
3nlrB-4yjiA:
undetectable		 3nlrA-4yjiA:
20.60
3nlrB-4yjiA:
20.60
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.
4yjz SCFV H2526

(Homo sapiens) 		PF07686
(V-set) 		4 GLU L  84
VAL L 109
ARG L  62
VAL L  18
 None
 1.12A 3nlrA-4yjzL:
undetectable
3nlrB-4yjzL:
undetectable		 3nlrA-4yjzL:
21.74
3nlrB-4yjzL:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		4 PHE A 877
SER A 926
VAL A 873
VAL A 903
 None
 1.18A 3nlrA-4zmhA:
undetectable
3nlrB-4zmhA:
undetectable		 3nlrA-4zmhA:
17.51
3nlrB-4zmhA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zs7 LLAMA FAB FRAGMENT
68F2 LIGHT CHAIN

(Lama glama) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  85
VAL L 109
ARG L  63
VAL L  18
 None
 1.12A 3nlrA-4zs7L:
undetectable
3nlrB-4zs7L:
undetectable		 3nlrA-4zs7L:
19.35
3nlrB-4zs7L:
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 PHE A 206
SER A 254
ARG A 518
VAL A 271
 None
 1.11A 3nlrA-5c2vA:
undetectable
3nlrB-5c2vA:
undetectable		 3nlrA-5c2vA:
18.25
3nlrB-5c2vA:
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		4 PHE A 372
GLU A 367
VAL A 363
VAL A 279
 None
 1.05A 3nlrA-5exeA:
undetectable
3nlrB-5exeA:
undetectable		 3nlrA-5exeA:
22.25
3nlrB-5exeA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f6h DH427 ANTIBODY LIGHT
CHAIN

(Macaca mulatta) 		no annotation 4 GLU L  85
VAL L 109
ARG L  63
VAL L  18
 None
 1.03A 3nlrA-5f6hL:
undetectable
3nlrB-5f6hL:
undetectable		 3nlrA-5f6hL:
21.12
3nlrB-5f6hL:
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.
5fcs DIABODY

(Homo sapiens) 		PF07686
(V-set) 		4 GLU L  84
VAL L 109
ARG L  62
VAL L  18
 None
None
SO4  L 304 ( 4.9A)
None
 0.95A 3nlrA-5fcsL:
undetectable
3nlrB-5fcsL:
undetectable		 3nlrA-5fcsL:
19.95
3nlrB-5fcsL:
19.95
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.
5fcu JR4 FAB LIGHT CHAIN

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 SO4  L 301 ( 4.5A)
None
SO4  L 303 (-3.9A)
None
 1.13A 3nlrA-5fcuL:
undetectable
3nlrB-5fcuL:
undetectable		 3nlrA-5fcuL:
19.54
3nlrB-5fcuL:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hhx CAT-2000 FAB LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.07A 3nlrA-5hhxL:
undetectable
3nlrB-5hhxL:
undetectable		 3nlrA-5hhxL:
20.09
3nlrB-5hhxL:
20.09
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.
5ihz 1E01 FAB FRAGMENT
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU B  99
VAL B 126
ARG B  75
VAL B  19
 None
 1.04A 3nlrA-5ihzB:
undetectable
3nlrB-5ihzB:
undetectable		 3nlrA-5ihzB:
19.86
3nlrB-5ihzB:
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.
5ilt BOVINE FAB A01 LIGHT
CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.02A 3nlrA-5iltL:
undetectable
3nlrB-5iltL:
undetectable		 3nlrA-5iltL:
19.86
3nlrB-5iltL:
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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 TRP A 239
PHE A 249
GLU A 205
SER A 201
 None
 1.09A 3nlrA-5iwzA:
undetectable
3nlrB-5iwzA:
undetectable		 3nlrA-5iwzA:
22.00
3nlrB-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.
5jo5 10E8 GLV

(Homo sapiens) 		no annotation 4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.19A 3nlrA-5jo5L:
undetectable
3nlrB-5jo5L:
undetectable		 3nlrA-5jo5L:
18.85
3nlrB-5jo5L:
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.11A 3nlrA-5jseA:
undetectable
3nlrB-5jseA:
undetectable		 3nlrA-5jseA:
21.55
3nlrB-5jseA:
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.
5l33 DENOVO NTF2

(synthetic
construct) 		PF12680
(SnoaL_2) 		4 PHE A  72
GLU A  66
SER A  69
TRP A  70
 None
 1.17A 3nlrA-5l33A:
undetectable
3nlrB-5l33A:
undetectable		 3nlrA-5l33A:
14.08
3nlrB-5l33A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3nlrA-5m8tA:
undetectable
3nlrB-5m8tA:
undetectable		 3nlrA-5m8tA:
20.21
3nlrB-5m8tA:
20.21
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.
5mes LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  84
VAL L 109
ARG L  62
VAL L  18
 None
 1.06A 3nlrA-5mesL:
undetectable
3nlrB-5mesL:
undetectable		 3nlrA-5mesL:
20.00
3nlrB-5mesL:
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.
5ocy ACPA E4 FAB FRAGMENT
- LIGHT CHAIN

(Homo sapiens) 		no annotation 4 GLU L  84
VAL L 109
ARG L  62
VAL L  18
 None
 0.88A 3nlrA-5ocyL:
undetectable
3nlrB-5ocyL:
undetectable		 3nlrA-5ocyL:
16.84
3nlrB-5ocyL:
16.84
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.
5t4z ANTIBODY DH501 FAB
LIGHT CHAIN

(Macaca mulatta) 		no annotation 4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.05A 3nlrA-5t4zL:
undetectable
3nlrB-5t4zL:
undetectable		 3nlrA-5t4zL:
19.75
3nlrB-5t4zL:
19.75
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 4 PHE A 129
VAL A  94
ARG A 128
VAL A  91
 None
 1.05A 3nlrA-5ufmA:
undetectable
3nlrB-5ufmA:
0.9		 3nlrA-5ufmA:
10.90
3nlrB-5ufmA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukn DH522UCA FAB
FRAGMENT LIGHT CHAIN

(Macaca mulatta) 		no annotation 4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.03A 3nlrA-5uknL:
undetectable
3nlrB-5uknL:
undetectable		 3nlrA-5uknL:
12.25
3nlrB-5uknL:
12.25
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.
5vm2 ALCOHOL
DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A 309
GLU A 302
VAL A 299
VAL A 151
 None
 0.92A 3nlrA-5vm2A:
undetectable
3nlrB-5vm2A:
undetectable		 3nlrA-5vm2A:
21.49
3nlrB-5vm2A:
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.
5wdu BNAB 35O22 FAB LIGHT
CHAIN

(Homo sapiens) 		no annotation 4 GLU I  83
VAL I 106
ARG I  61
VAL I  19
 None
 1.15A 3nlrA-5wduI:
undetectable
3nlrB-5wduI:
undetectable		 3nlrA-5wduI:
11.91
3nlrB-5wduI:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 3nlrA-5wlyA:
undetectable
3nlrB-5wlyA:
undetectable		 3nlrA-5wlyA:
12.77
3nlrB-5wlyA:
12.77
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.
5x5w NECTIN-1

(Sus scrofa) 		PF07686
(V-set) 		4 GLU B  83
VAL B 106
ARG B  60
VAL B  11
 None
 1.03A 3nlrA-5x5wB:
undetectable
3nlrB-5x5wB:
undetectable		 3nlrA-5x5wB:
12.83
3nlrB-5x5wB:
12.83
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.
5xcv VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA

(Homo sapiens;
Rattus) 		no annotation 4 GLU B  83
VAL B 106
ARG B  61
VAL B  19
 None
 1.07A 3nlrA-5xcvB:
undetectable
3nlrB-5xcvB:
undetectable		 3nlrA-5xcvB:
16.12
3nlrB-5xcvB:
16.12
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.
5xgp SECRETED XWNT8
INHIBITOR SIZZLED

(Xenopus laevis) 		PF01392
(Fz) 		4 PHE A 180
GLU A 222
VAL A 254
TRP A 224
 None
 0.91A 3nlrA-5xgpA:
undetectable
3nlrB-5xgpA:
undetectable		 3nlrA-5xgpA:
20.14
3nlrB-5xgpA:
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.
5xon PROTEIN THAT FORMS A
COMPLEX WITH SPT4P
TRANSCRIPTION
ELONGATION FACTOR
SPT4

(Komagataella
phaffii) 		PF00467
(KOW)
PF03439
(Spt5-NGN)
PF06093
(Spt4) 		4 SER W 316
VAL W 318
ARG V  89
VAL W 313
 None
 1.05A 3nlrA-5xonW:
undetectable
3nlrB-5xonW:
undetectable		 3nlrA-5xonW:
20.93
3nlrB-5xonW:
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.
5y81 TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE B3548
SER B3554
VAL B3556
VAL B3581
 None
 1.16A 3nlrA-5y81B:
undetectable
3nlrB-5y81B:
undetectable		 3nlrA-5y81B:
12.90
3nlrB-5y81B:
12.90
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 4 PHE I 206
SER I 226
VAL I 210
VAL I 436
 None
 1.12A 3nlrA-6bnpI:
undetectable
3nlrB-6bnpI:
undetectable		 3nlrA-6bnpI:
14.51
3nlrB-6bnpI:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 GLU X 267
SER X 266
VAL X 270
VAL X 258
 None
 1.16A 3nlrA-6elqX:
undetectable
3nlrB-6elqX:
1.2		 3nlrA-6elqX:
11.06
3nlrB-6elqX:
11.06