SIMILAR PATTERNS OF AMINO ACIDS FOR 3NLQ_A_H4BA760

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 VAL A 326
ARG A 219
VAL A 209
PHE A 222
 None
 1.10A 3nlqA-1b41A:
0.0
3nlqB-1b41A:
undetectable		 3nlqA-1b41A:
20.61
3nlqB-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 VAL A 326
ARG A 219
VAL A 209
PHE A 222
 None
 0.97A 3nlqA-1c2oA:
undetectable
3nlqB-1c2oA:
0.0		 3nlqA-1c2oA:
20.04
3nlqB-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 VAL A  92
ARG A  52
VAL A  13
GLU A  72
 None
 0.91A 3nlqA-1cczA:
0.0
3nlqB-1cczA:
0.0		 3nlqA-1cczA:
17.72
3nlqB-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 VAL A 120
VAL A 114
PHE A  42
GLU A 121
 None
 1.20A 3nlqA-1edzA:
0.0
3nlqB-1edzA:
0.0		 3nlqA-1edzA:
22.27
3nlqB-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.
1hqo URE2 PROTEIN

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 VAL A 334
VAL A 299
TRP A 337
GLU A 260
 None
 0.99A 3nlqA-1hqoA:
0.0
3nlqB-1hqoA:
0.0		 3nlqA-1hqoA:
19.28
3nlqB-1hqoA:
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) 		4 TRP A 306
TRP A 676
PHE A 691
GLU A 694
 None
 0.16A 3nlqA-1lzxA:
62.8
3nlqB-1lzxA:
61.8		 3nlqA-1lzxA:
99.52
3nlqB-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 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.23A 3nlqA-1m9qA:
59.2
3nlqB-1m9qA:
58.7		 3nlqA-1m9qA:
65.19
3nlqB-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.
1mfa IGG1-LAMBDA SE155-4
FAB (LIGHT CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 VAL L 108
ARG L  63
VAL L  18
GLU L  85
 None
 1.22A 3nlqA-1mfaL:
undetectable
3nlqB-1mfaL:
undetectable		 3nlqA-1mfaL:
14.22
3nlqB-1mfaL:
14.22
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 ARG A  69
VAL A  54
PHE A  79
GLU A  36
 None
 1.10A 3nlqA-1mzbA:
0.4
3nlqB-1mzbA:
0.0		 3nlqA-1mzbA:
16.59
3nlqB-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 VAL E 106
ARG E  61
VAL E  19
GLU E  83
 None
 1.01A 3nlqA-1nfdE:
undetectable
3nlqB-1nfdE:
undetectable		 3nlqA-1nfdE:
18.93
3nlqB-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.
1pw3 IMMUNOGLOBULIN
LAMBDA CHAIN
VARIABLE REGION

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 106
ARG A  61
VAL A  19
GLU A  83
 None
 0.84A 3nlqA-1pw3A:
undetectable
3nlqB-1pw3A:
undetectable		 3nlqA-1pw3A:
13.95
3nlqB-1pw3A:
13.95
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 TRP A  84
TRP A 455
PHE A 470
GLU A 473
 None
 0.26A 3nlqA-1qw5A:
57.6
3nlqB-1qw5A:
57.7		 3nlqA-1qw5A:
63.42
3nlqB-1qw5A:
63.42
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.
1w8g HYPOTHETICAL UPF0001
PROTEIN YGGS

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		4 TRP A  99
TRP A  79
PHE A  97
GLU A  78
 None
 1.14A 3nlqA-1w8gA:
undetectable
3nlqB-1w8gA:
undetectable		 3nlqA-1w8gA:
20.23
3nlqB-1w8gA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas
fluorescens) 		PF00866
(Ring_hydroxyl_B) 		4 ARG B 156
VAL B 128
PHE B 163
GLU B  26
 None
 1.18A 3nlqA-1wqlB:
undetectable
3nlqB-1wqlB:
undetectable		 3nlqA-1wqlB:
19.79
3nlqB-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.
1xn6 HYPOTHETICAL PROTEIN
BC4709

(Bacillus cereus) 		PF08327
(AHSA1) 		4 VAL A  27
VAL A 140
TRP A  36
PHE A  16
 None
 1.03A 3nlqA-1xn6A:
undetectable
3nlqB-1xn6A:
undetectable		 3nlqA-1xn6A:
15.33
3nlqB-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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 TRP A 235
TRP A 169
TRP A 237
GLU A 236
 None
None
None
CA  A1004 (-3.6A)
 1.18A 3nlqA-1y4jA:
undetectable
3nlqB-1y4jA:
undetectable		 3nlqA-1y4jA:
20.47
3nlqB-1y4jA:
20.47
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.
1ybe NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Agrobacterium
tumefaciens) 		PF04095
(NAPRTase) 		4 VAL A 187
VAL A 349
TRP A 184
GLU A 188
 None
 1.08A 3nlqA-1ybeA:
undetectable
3nlqB-1ybeA:
undetectable		 3nlqA-1ybeA:
20.77
3nlqB-1ybeA:
20.77
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.
1z9m GAPA225

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 136
ARG A  92
VAL A  56
GLU A 115
 None
 1.09A 3nlqA-1z9mA:
undetectable
3nlqB-1z9mA:
undetectable		 3nlqA-1z9mA:
17.61
3nlqB-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 VAL L 147
ARG L  77
VAL L  19
GLU L 101
 None
 0.94A 3nlqA-2a9mL:
undetectable
3nlqB-2a9mL:
undetectable		 3nlqA-2a9mL:
13.74
3nlqB-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.
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 ARG A 708
VAL A1424
PHE A 722
GLU A 693
 None
 1.08A 3nlqA-2b39A:
undetectable
3nlqB-2b39A:
undetectable		 3nlqA-2b39A:
13.74
3nlqB-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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		4 VAL A 326
VAL A 294
PHE A 321
GLU A 327
 None
 1.19A 3nlqA-2d4eA:
undetectable
3nlqB-2d4eA:
undetectable		 3nlqA-2d4eA:
23.19
3nlqB-2d4eA:
23.19
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.
2gex SNOL

(Streptomyces
nogalater) 		PF07366
(SnoaL) 		4 VAL A  25
VAL A 116
TRP A  29
TRP A  17
 None
 1.22A 3nlqA-2gexA:
undetectable
3nlqB-2gexA:
undetectable		 3nlqA-2gexA:
14.59
3nlqB-2gexA:
14.59
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 VAL A  23
ARG A 116
PHE A  29
GLU A  27
 None
 1.14A 3nlqA-2incA:
undetectable
3nlqB-2incA:
undetectable		 3nlqA-2incA:
21.48
3nlqB-2incA:
21.48
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.
2jvo NUCLEOLAR PROTEIN 3

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 VAL A  43
VAL A  61
PHE A  52
GLU A  47
 None
 1.08A 3nlqA-2jvoA:
undetectable
3nlqB-2jvoA:
undetectable		 3nlqA-2jvoA:
13.56
3nlqB-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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 VAL A  52
ARG A 311
VAL A  44
PHE A 296
 EOH  A 502 (-4.7A)
None
None
None
 1.13A 3nlqA-2nxfA:
undetectable
3nlqB-2nxfA:
undetectable		 3nlqA-2nxfA:
22.59
3nlqB-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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 VAL A 588
TRP A 630
TRP A 635
PHE A 638
 None
 1.13A 3nlqA-2rdyA:
undetectable
3nlqB-2rdyA:
undetectable		 3nlqA-2rdyA:
19.75
3nlqB-2rdyA:
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.
2rhe BENCE-JONES PROTEIN
RHE (LIGHT CHAIN)

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 109
ARG A  62
VAL A  18
GLU A  84
 None
 1.03A 3nlqA-2rheA:
undetectable
3nlqB-2rheA:
undetectable		 3nlqA-2rheA:
14.77
3nlqB-2rheA:
14.77
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.04A 3nlqA-2vpwA:
undetectable
3nlqB-2vpwA:
undetectable		 3nlqA-2vpwA:
20.78
3nlqB-2vpwA:
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.
3anw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermococcus
kodakarensis) 		PF05916
(Sld5) 		4 VAL B  10
TRP B  30
PHE B  80
GLU B  28
 None
 1.17A 3nlqA-3anwB:
undetectable
3nlqB-3anwB:
undetectable		 3nlqA-3anwB:
16.95
3nlqB-3anwB:
16.95
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.
3bjl LOC - LAMBDA 1 TYPE
LIGHT-CHAIN DIMER

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL A 109
ARG A  62
VAL A  18
GLU A  84
 None
 1.15A 3nlqA-3bjlA:
undetectable
3nlqB-3bjlA:
undetectable		 3nlqA-3bjlA:
21.09
3nlqB-3bjlA:
21.09
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 TRP A  90
TRP A 461
PHE A 476
GLU A 479
 None
 0.26A 3nlqA-3e7gA:
56.8
3nlqB-3e7gA:
56.9		 3nlqA-3e7gA:
65.17
3nlqB-3e7gA:
65.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iy4 FRAGMENT OF
NEUTRALIZING
ANTIBODY 15 (HEAVY
CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 VAL B 221
ARG B 172
VAL B 123
PHE B 173
 None
 1.14A 3nlqA-3iy4B:
undetectable
3nlqB-3iy4B:
undetectable		 3nlqA-3iy4B:
13.03
3nlqB-3iy4B:
13.03
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.
3k25 SLR1438 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01263
(Aldose_epim) 		4 VAL A 241
TRP A 256
PHE A 233
GLU A 254
 None
 0.98A 3nlqA-3k25A:
undetectable
3nlqB-3k25A:
undetectable		 3nlqA-3k25A:
22.72
3nlqB-3k25A:
22.72
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.
3kxa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neisseria
gonorrhoeae) 		PF01381
(HTH_3) 		4 VAL A 114
VAL A 105
PHE A  65
GLU A 118
 None
 1.02A 3nlqA-3kxaA:
undetectable
3nlqB-3kxaA:
undetectable		 3nlqA-3kxaA:
17.40
3nlqB-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.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		4 VAL A 588
ARG A 578
VAL A 582
TRP A 590
 None
 1.13A 3nlqA-3loyA:
undetectable
3nlqB-3loyA:
undetectable		 3nlqA-3loyA:
19.41
3nlqB-3loyA:
19.41
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.
3lrh ANTI-HUNTINGTIN VL
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 109
ARG A  62
VAL A  18
GLU A  84
 None
 0.88A 3nlqA-3lrhA:
undetectable
3nlqB-3lrhA:
undetectable		 3nlqA-3lrhA:
17.01
3nlqB-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.
3mj9 JUNCTIONAL ADHESION
MOLECULE-LIKE

(Mus musculus) 		PF07686
(V-set) 		4 VAL A 118
ARG A  70
VAL A  21
GLU A  94
 None
 1.06A 3nlqA-3mj9A:
undetectable
3nlqB-3mj9A:
undetectable		 3nlqA-3mj9A:
21.26
3nlqB-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 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
 0.78A 3nlqA-3p30L:
undetectable
3nlqB-3p30L:
undetectable		 3nlqA-3p30L:
19.95
3nlqB-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.
3qaw RHO-CLASS
GLUTATHIONE
S-TRANSFERASE

(Laternula
elliptica) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 VAL A  85
ARG A 199
VAL A  24
PHE A 161
 None
 1.15A 3nlqA-3qawA:
undetectable
3nlqB-3qawA:
undetectable		 3nlqA-3qawA:
20.19
3nlqB-3qawA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ri5 MOUSE MONOCLONAL FAB
FRAGMENT, LIGHT
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL K 108
ARG K  63
VAL K  18
GLU K  85
 None
 1.15A 3nlqA-3ri5K:
undetectable
3nlqB-3ri5K:
undetectable		 3nlqA-3ri5K:
19.19
3nlqB-3ri5K:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rr5 DNA LIGASE

(Thermococcus
sp. 1519) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 VAL A 213
ARG A 199
VAL A 192
GLU A 217
 None
 1.03A 3nlqA-3rr5A:
undetectable
3nlqB-3rr5A:
undetectable		 3nlqA-3rr5A:
20.64
3nlqB-3rr5A:
20.64
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.
3t2n ANTIBODY, FAB
FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
 0.83A 3nlqA-3t2nL:
undetectable
3nlqB-3t2nL:
undetectable		 3nlqA-3t2nL:
20.15
3nlqB-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 VAL B 111
ARG B  64
VAL B  20
GLU B  86
 None
 1.07A 3nlqA-3ux9B:
undetectable
3nlqB-3ux9B:
undetectable		 3nlqA-3ux9B:
21.18
3nlqB-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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 VAL A  72
TRP A  71
PHE A  67
GLU A  73
 None
PVG  A 201 (-3.6A)
None
None
 1.09A 3nlqA-3vv4A:
undetectable
3nlqB-3vv4A:
undetectable		 3nlqA-3vv4A:
19.24
3nlqB-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.
3zl4 A17 ANTIBODY FAB
FRAGMENT LAMBDA
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 108
ARG L  62
VAL L  18
GLU L  84
 None
 1.00A 3nlqA-3zl4L:
undetectable
3nlqB-3zl4L:
undetectable		 3nlqA-3zl4L:
19.53
3nlqB-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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 VAL A 110
ARG A 150
VAL A 154
GLU A 144
 None
 1.05A 3nlqA-4b90A:
undetectable
3nlqB-4b90A:
undetectable		 3nlqA-4b90A:
20.09
3nlqB-4b90A:
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 VAL A 110
ARG A 150
VAL A 154
GLU A 144
 None
 1.08A 3nlqA-4b92A:
undetectable
3nlqB-4b92A:
undetectable		 3nlqA-4b92A:
22.16
3nlqB-4b92A:
22.16
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.
4de8 CPS2A

(Streptococcus
pneumoniae) 		PF02916
(DNA_PPF)
PF03816
(LytR_cpsA_psr) 		4 VAL A 347
VAL A 350
PHE A 360
GLU A 335
 None
 1.15A 3nlqA-4de8A:
undetectable
3nlqB-4de8A:
undetectable		 3nlqA-4de8A:
22.32
3nlqB-4de8A:
22.32
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.
4dfi POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 2

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 128
ARG A  72
VAL A  20
GLU A 105
 None
 1.02A 3nlqA-4dfiA:
undetectable
3nlqB-4dfiA:
undetectable		 3nlqA-4dfiA:
14.76
3nlqB-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 VAL A 214
ARG A 200
VAL A 193
GLU A 218
 None
 0.87A 3nlqA-4eq5A:
undetectable
3nlqB-4eq5A:
undetectable		 3nlqA-4eq5A:
20.71
3nlqB-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 VAL A 142
ARG A  96
VAL A  47
GLU A 119
 None
 1.00A 3nlqA-4fmfA:
undetectable
3nlqB-4fmfA:
undetectable		 3nlqA-4fmfA:
21.40
3nlqB-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.
4fmk POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 2

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 VAL A 149
ARG A  97
VAL A  50
GLU A 126
 None
 0.97A 3nlqA-4fmkA:
undetectable
3nlqB-4fmkA:
undetectable		 3nlqA-4fmkA:
22.04
3nlqB-4fmkA:
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.
4glr ANTI-PTAU LIGHT
CHAIN

(Gallus gallus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL I 106
ARG I  61
VAL I  19
GLU I  83
 None
 1.16A 3nlqA-4glrI:
undetectable
3nlqB-4glrI:
undetectable		 3nlqA-4glrI:
19.08
3nlqB-4glrI:
19.08
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 VAL B 351
TRP B 355
PHE B 327
GLU B 424
 None
 1.01A 3nlqA-4l37B:
undetectable
3nlqB-4l37B:
undetectable		 3nlqA-4l37B:
20.83
3nlqB-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 VAL E  45
VAL E 249
PHE E  37
GLU E  39
 None
 1.09A 3nlqA-4l95E:
undetectable
3nlqB-4l95E:
undetectable		 3nlqA-4l95E:
19.10
3nlqB-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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		4 VAL A  79
ARG A  61
VAL A  41
GLU A  84
 None
 1.17A 3nlqA-4m2xA:
undetectable
3nlqB-4m2xA:
undetectable		 3nlqA-4m2xA:
17.09
3nlqB-4m2xA:
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 VAL A  71
ARG A  58
PHE A  28
GLU A  25
 None
 1.12A 3nlqA-4o6xA:
undetectable
3nlqB-4o6xA:
undetectable		 3nlqA-4o6xA:
14.69
3nlqB-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.
4o9h LIGHT CHAIN OF THE
CAMELID FAB FRAGMENT
61H7

(Lama glama) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 108
ARG L  63
VAL L  18
GLU L  85
 None
 1.21A 3nlqA-4o9hL:
undetectable
3nlqB-4o9hL:
undetectable		 3nlqA-4o9hL:
20.15
3nlqB-4o9hL:
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.
4ouo ANTI BLA G 1 SCFV

(Gallus gallus) 		PF07686
(V-set) 		4 VAL A 106
ARG A  60
VAL A  18
GLU A  82
 None
 1.15A 3nlqA-4ouoA:
undetectable
3nlqB-4ouoA:
undetectable		 3nlqA-4ouoA:
20.28
3nlqB-4ouoA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p5w CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2,CALCIUM-BIND
ING MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2

(Homo sapiens) 		no annotation 4 VAL A 264
VAL A 255
PHE A 273
GLU A 268
 None
 1.19A 3nlqA-4p5wA:
undetectable
3nlqB-4p5wA:
undetectable		 3nlqA-4p5wA:
20.91
3nlqB-4p5wA:
20.91
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.
4rnr PGT130 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL B 106
ARG B  61
VAL B  19
GLU B  83
 None
 0.99A 3nlqA-4rnrB:
undetectable
3nlqB-4rnrB:
undetectable		 3nlqA-4rnrB:
19.39
3nlqB-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 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.05A 3nlqA-4u3vA:
undetectable
3nlqB-4u3vA:
undetectable		 3nlqA-4u3vA:
20.81
3nlqB-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 VAL A 109
ARG A  63
VAL A  18
GLU A  85
 None
 0.96A 3nlqA-4unuA:
undetectable
3nlqB-4unuA:
undetectable		 3nlqA-4unuA:
13.92
3nlqB-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 VAL E 248
ARG E 201
VAL E 157
GLU E 223
 None
 1.00A 3nlqA-4v1dE:
undetectable
3nlqB-4v1dE:
undetectable		 3nlqA-4v1dE:
14.76
3nlqB-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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 TRP A 359
TRP A 299
TRP A 361
GLU A 360
 None
None
None
CA  A 517 (-3.9A)
 1.15A 3nlqA-4x8dA:
undetectable
3nlqB-4x8dA:
undetectable		 3nlqA-4x8dA:
20.68
3nlqB-4x8dA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 ARG A 280
VAL A 309
TRP A 267
PHE A 268
 None
 1.16A 3nlqA-4xj5A:
undetectable
3nlqB-4xj5A:
undetectable		 3nlqA-4xj5A:
20.61
3nlqB-4xj5A:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 ARG A 276
VAL A 305
PHE A 264
GLU A 266
 None
 1.11A 3nlqA-4xj6A:
undetectable
3nlqB-4xj6A:
undetectable		 3nlqA-4xj6A:
21.06
3nlqB-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 VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.12A 3nlqA-4xj6A:
undetectable
3nlqB-4xj6A:
undetectable		 3nlqA-4xj6A:
21.06
3nlqB-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 VAL B 109
ARG B  62
VAL B  18
GLU B  84
 None
 0.85A 3nlqA-4y5xB:
undetectable
3nlqB-4y5xB:
undetectable		 3nlqA-4y5xB:
14.45
3nlqB-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.
4yjz SCFV H2526

(Homo sapiens) 		PF07686
(V-set) 		4 VAL L 109
ARG L  62
VAL L  18
GLU L  84
 None
 1.08A 3nlqA-4yjzL:
undetectable
3nlqB-4yjzL:
undetectable		 3nlqA-4yjzL:
21.74
3nlqB-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.
4zs7 LLAMA FAB FRAGMENT
68F2 LIGHT CHAIN

(Lama glama) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 109
ARG L  63
VAL L  18
GLU L  85
 None
 1.11A 3nlqA-4zs7L:
undetectable
3nlqB-4zs7L:
undetectable		 3nlqA-4zs7L:
19.35
3nlqB-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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		4 VAL A 363
VAL A 279
PHE A 372
GLU A 367
 None
 1.06A 3nlqA-5exeA:
undetectable
3nlqB-5exeA:
undetectable		 3nlqA-5exeA:
22.25
3nlqB-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 VAL L 109
ARG L  63
VAL L  18
GLU L  85
 None
 0.97A 3nlqA-5f6hL:
undetectable
3nlqB-5f6hL:
undetectable		 3nlqA-5f6hL:
21.12
3nlqB-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 VAL H 108
ARG H  63
VAL H  18
GLU H  85
 None
 1.19A 3nlqA-5fcsH:
undetectable
3nlqB-5fcsH:
undetectable		 3nlqA-5fcsH:
18.63
3nlqB-5fcsH:
18.63
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.
5fcs DIABODY

(Homo sapiens) 		PF07686
(V-set) 		4 VAL L 109
ARG L  62
VAL L  18
GLU L  84
 None
SO4  L 304 ( 4.9A)
None
None
 0.90A 3nlqA-5fcsL:
undetectable
3nlqB-5fcsL:
undetectable		 3nlqA-5fcsL:
19.95
3nlqB-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 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
SO4  L 303 (-3.9A)
None
SO4  L 301 ( 4.5A)
 1.06A 3nlqA-5fcuL:
undetectable
3nlqB-5fcuL:
undetectable		 3nlqA-5fcuL:
19.54
3nlqB-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 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
 1.05A 3nlqA-5hhxL:
undetectable
3nlqB-5hhxL:
undetectable		 3nlqA-5hhxL:
20.09
3nlqB-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 VAL B 126
ARG B  75
VAL B  19
GLU B  99
 None
 1.00A 3nlqA-5ihzB:
undetectable
3nlqB-5ihzB:
undetectable		 3nlqA-5ihzB:
19.86
3nlqB-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 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
 0.96A 3nlqA-5iltL:
undetectable
3nlqB-5iltL:
undetectable		 3nlqA-5iltL:
19.86
3nlqB-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.
5ir3 IG LAMBDA CHAIN V-VI
REGION AR

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 110
ARG A  62
VAL A  18
GLU A  86
 None
 1.14A 3nlqA-5ir3A:
undetectable
3nlqB-5ir3A:
undetectable		 3nlqA-5ir3A:
14.70
3nlqB-5ir3A:
14.70
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.
5j74 SCFV AM2.2

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 251
ARG A 204
VAL A 160
GLU A 226
 None
 0.97A 3nlqA-5j74A:
undetectable
3nlqB-5j74A:
undetectable		 3nlqA-5j74A:
19.71
3nlqB-5j74A:
19.71
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.
5jo5 10E8 GLV

(Homo sapiens) 		no annotation 4 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
 1.10A 3nlqA-5jo5L:
undetectable
3nlqB-5jo5L:
undetectable		 3nlqA-5jo5L:
18.85
3nlqB-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 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.10A 3nlqA-5jseA:
undetectable
3nlqB-5jseA:
undetectable		 3nlqA-5jseA:
21.55
3nlqB-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.
5l6q H5AL

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 106
ARG A  59
VAL A  17
GLU A  81
 None
None
None
ZN  A 203 (-2.5A)
 1.19A 3nlqA-5l6qA:
undetectable
3nlqB-5l6qA:
undetectable		 3nlqA-5l6qA:
14.99
3nlqB-5l6qA:
14.99
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.00A 3nlqA-5m8tA:
undetectable
3nlqB-5m8tA:
undetectable		 3nlqA-5m8tA:
20.21
3nlqB-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 VAL L 109
ARG L  62
VAL L  18
GLU L  84
 None
 1.01A 3nlqA-5mesL:
undetectable
3nlqB-5mesL:
undetectable		 3nlqA-5mesL:
20.00
3nlqB-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.
5n2k BRIAKINUMAB FAB
LIGHT CHAIN

(Homo sapiens) 		no annotation 4 VAL G 110
ARG G  62
VAL G  18
GLU G  84
 None
 1.13A 3nlqA-5n2kG:
undetectable
3nlqB-5n2kG:
undetectable		 3nlqA-5n2kG:
12.07
3nlqB-5n2kG:
12.07
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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		4 TRP A 228
TRP A 160
TRP A 230
GLU A 229
 ACT  A 405 (-3.9A)
None
None
CA  A 407 (-3.9A)
 1.17A 3nlqA-5nyyA:
undetectable
3nlqB-5nyyA:
undetectable		 3nlqA-5nyyA:
22.45
3nlqB-5nyyA:
22.45
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.
5ocy ACPA E4 FAB FRAGMENT
- LIGHT CHAIN

(Homo sapiens) 		no annotation 4 VAL L 109
ARG L  62
VAL L  18
GLU L  84
 None
 0.87A 3nlqA-5ocyL:
undetectable
3nlqB-5ocyL:
undetectable		 3nlqA-5ocyL:
16.84
3nlqB-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 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
 1.05A 3nlqA-5t4zL:
undetectable
3nlqB-5t4zL:
undetectable		 3nlqA-5t4zL:
19.75
3nlqB-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 VAL A  94
ARG A 128
VAL A  91
PHE A 129
 None
 1.07A 3nlqA-5ufmA:
undetectable
3nlqB-5ufmA:
undetectable		 3nlqA-5ufmA:
10.90
3nlqB-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 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
 0.99A 3nlqA-5uknL:
undetectable
3nlqB-5uknL:
undetectable		 3nlqA-5uknL:
12.25
3nlqB-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.
5vf6 SINGLE CHAIN
VARIABLE FRAGMENT

(Gallus gallus) 		no annotation 4 VAL A 104
ARG A  58
VAL A  16
GLU A  80
 None
 1.14A 3nlqA-5vf6A:
undetectable
3nlqB-5vf6A:
undetectable		 3nlqA-5vf6A:
11.11
3nlqB-5vf6A:
11.11
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 1.05A 3nlqA-5vyoA:
undetectable
3nlqB-5vyoA:
undetectable		 3nlqA-5vyoA:
11.83
3nlqB-5vyoA:
11.83
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.
5wdu BNAB 35O22 FAB LIGHT
CHAIN

(Homo sapiens) 		no annotation 4 VAL I 106
ARG I  61
VAL I  19
GLU I  83
 None
 1.14A 3nlqA-5wduI:
undetectable
3nlqB-5wduI:
undetectable		 3nlqA-5wduI:
11.91
3nlqB-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.
5x5w NECTIN-1

(Sus scrofa) 		PF07686
(V-set) 		4 VAL B 106
ARG B  60
VAL B  11
GLU B  83
 None
 1.06A 3nlqA-5x5wB:
undetectable
3nlqB-5x5wB:
undetectable		 3nlqA-5x5wB:
12.83
3nlqB-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 VAL B 106
ARG B  61
VAL B  19
GLU B  83
 None
 0.98A 3nlqA-5xcvB:
undetectable
3nlqB-5xcvB:
undetectable		 3nlqA-5xcvB:
16.12
3nlqB-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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 4 ARG A 129
VAL A  65
PHE A 113
GLU A 106
 None
 1.19A 3nlqA-5xf7A:
undetectable
3nlqB-5xf7A:
undetectable		 3nlqA-5xf7A:
10.85
3nlqB-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.
5zdm -

(-) 		no annotation 4 VAL A  92
VAL A 132
TRP A 106
TRP A 181
 None
 1.20A 3nlqA-5zdmA:
undetectable
3nlqB-5zdmA:
undetectable		 3nlqA-5zdmA:
undetectable
3nlqB-5zdmA:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 4 VAL B 779
VAL B 782
TRP B 795
GLU B 933
 None
 1.18A 3nlqA-6btmB:
undetectable
3nlqB-6btmB:
undetectable		 3nlqA-6btmB:
13.38
3nlqB-6btmB:
13.38