SIMILAR PATTERNS OF AMINO ACIDS FOR 4CX3_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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN

(Tobacco
ringspot virus) 		PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N) 		4 VAL A 496
ARG A 482
VAL A 390
PHE A 374
 None
 1.24A 4cx3A-1a6cA:
0.0
4cx3B-1a6cA:
0.0		 4cx3A-1a6cA:
20.38
4cx3B-1a6cA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 VAL A 326
ARG A 219
VAL A 209
PHE A 222
 None
 1.08A 4cx3A-1b41A:
0.0
4cx3B-1b41A:
0.0		 4cx3A-1b41A:
20.61
4cx3B-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
 0.96A 4cx3A-1c2oA:
0.0
4cx3B-1c2oA:
0.0		 4cx3A-1c2oA:
20.04
4cx3B-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
 0.99A 4cx3A-1cczA:
0.0
4cx3B-1cczA:
0.0		 4cx3A-1cczA:
17.72
4cx3B-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
 1.19A 4cx3A-1edzA:
0.6
4cx3B-1edzA:
0.0		 4cx3A-1edzA:
22.27
4cx3B-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
 1.07A 4cx3A-1hqoA:
0.4
4cx3B-1hqoA:
0.0		 4cx3A-1hqoA:
19.28
4cx3B-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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 ARG A  69
VAL A  54
PHE A  79
GLU A  36
 None
 1.03A 4cx3A-1mzbA:
0.2
4cx3B-1mzbA:
0.0		 4cx3A-1mzbA:
16.59
4cx3B-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
 1.05A 4cx3A-1nfdE:
0.0
4cx3B-1nfdE:
0.0		 4cx3A-1nfdE:
18.93
4cx3B-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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 VAL A 200
ARG A 160
TRP A  27
PHE A 154
 None
None
SO4  A 400 (-3.4A)
SO4  A 400 (-4.6A)
 1.28A 4cx3A-1nrkA:
0.0
4cx3B-1nrkA:
0.0		 4cx3A-1nrkA:
20.92
4cx3B-1nrkA:
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.
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
 0.92A 4cx3A-1pw3A:
undetectable
4cx3B-1pw3A:
undetectable		 4cx3A-1pw3A:
13.95
4cx3B-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.
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
 1.17A 4cx3A-1wqlB:
undetectable
4cx3B-1wqlB:
undetectable		 4cx3A-1wqlB:
19.79
4cx3B-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.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		4 VAL A 193
ARG A  92
VAL A 147
TRP A 196
 None
 1.23A 4cx3A-1wx4A:
0.6
4cx3B-1wx4A:
undetectable		 4cx3A-1wx4A:
21.86
4cx3B-1wx4A:
21.86
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.
1xn6 HYPOTHETICAL PROTEIN
BC4709

(Bacillus cereus) 		PF08327
(AHSA1) 		4 VAL A  27
VAL A 140
TRP A  36
PHE A  16
 None
 1.07A 4cx3A-1xn6A:
undetectable
4cx3B-1xn6A:
undetectable		 4cx3A-1xn6A:
15.33
4cx3B-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 VAL A 136
ARG A  92
VAL A  56
GLU A 115
 None
 1.11A 4cx3A-1z9mA:
undetectable
4cx3B-1z9mA:
undetectable		 4cx3A-1z9mA:
17.61
4cx3B-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
 1.03A 4cx3A-2a9mL:
undetectable
4cx3B-2a9mL:
undetectable		 4cx3A-2a9mL:
13.74
4cx3B-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
 1.11A 4cx3A-2b39A:
undetectable
4cx3B-2b39A:
undetectable		 4cx3A-2b39A:
13.74
4cx3B-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
 1.24A 4cx3A-2d4eA:
undetectable
4cx3B-2d4eA:
undetectable		 4cx3A-2d4eA:
23.19
4cx3B-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.
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 4cx3A-2incA:
undetectable
4cx3B-2incA:
undetectable		 4cx3A-2incA:
21.48
4cx3B-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
 1.09A 4cx3A-2jvoA:
undetectable
4cx3B-2jvoA:
undetectable		 4cx3A-2jvoA:
13.56
4cx3B-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
 1.08A 4cx3A-2nxfA:
0.4
4cx3B-2nxfA:
undetectable		 4cx3A-2nxfA:
22.59
4cx3B-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.
2ot9 HYPOTHETICAL PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF07152
(YaeQ) 		4 VAL A 152
ARG A 179
VAL A 170
PHE A  49
 None
 1.24A 4cx3A-2ot9A:
undetectable
4cx3B-2ot9A:
undetectable		 4cx3A-2ot9A:
19.07
4cx3B-2ot9A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 4cx3A-2rheA:
undetectable
4cx3B-2rheA:
undetectable		 4cx3A-2rheA:
14.77
4cx3B-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
 1.08A 4cx3A-2vpwA:
undetectable
4cx3B-2vpwA:
undetectable		 4cx3A-2vpwA:
20.78
4cx3B-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.
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
 1.18A 4cx3A-3bjlA:
undetectable
4cx3B-3bjlA:
undetectable		 4cx3A-3bjlA:
21.09
4cx3B-3bjlA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 VAL B 685
ARG B 590
VAL B 602
GLU B 682
 None
 1.18A 4cx3A-3h0gB:
0.2
4cx3B-3h0gB:
undetectable		 4cx3A-3h0gB:
15.45
4cx3B-3h0gB:
15.45
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.
3i9u HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		4 VAL A  73
ARG A 198
VAL A 130
GLU A 190
 None
 1.25A 4cx3A-3i9uA:
undetectable
4cx3B-3i9uA:
undetectable		 4cx3A-3i9uA:
20.51
4cx3B-3i9uA:
20.51
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.
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
 1.17A 4cx3A-3iy4B:
undetectable
4cx3B-3iy4B:
undetectable		 4cx3A-3iy4B:
13.03
4cx3B-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.
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 4cx3A-3kxaA:
undetectable
4cx3B-3kxaA:
undetectable		 4cx3A-3kxaA:
17.40
4cx3B-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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 VAL A 120
ARG A  69
PHE A 133
GLU A 122
 None
 1.27A 4cx3A-3lccA:
undetectable
4cx3B-3lccA:
undetectable		 4cx3A-3lccA:
19.81
4cx3B-3lccA:
19.81
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.
3lrh ANTI-HUNTINGTIN VL
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 109
ARG A  62
VAL A  18
GLU A  84
 None
 0.92A 4cx3A-3lrhA:
undetectable
4cx3B-3lrhA:
undetectable		 4cx3A-3lrhA:
17.01
4cx3B-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
 1.13A 4cx3A-3mj9A:
undetectable
4cx3B-3mj9A:
undetectable		 4cx3A-3mj9A:
21.26
4cx3B-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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 ARG A  64
VAL A 132
PHE A  75
GLU A  83
 TS5  A 620 (-2.3A)
None
None
None
 1.17A 4cx3A-3o98A:
undetectable
4cx3B-3o98A:
undetectable		 4cx3A-3o98A:
21.16
4cx3B-3o98A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 ARG A 175
VAL A  92
PHE A 121
GLU A 119
 None
 1.25A 4cx3A-3owcA:
1.5
4cx3B-3owcA:
undetectable		 4cx3A-3owcA:
16.71
4cx3B-3owcA:
16.71
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.
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
 0.85A 4cx3A-3p30L:
undetectable
4cx3B-3p30L:
undetectable		 4cx3A-3p30L:
19.95
4cx3B-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
 1.23A 4cx3A-3qawA:
undetectable
4cx3B-3qawA:
undetectable		 4cx3A-3qawA:
20.19
4cx3B-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.
3r4z GLYCOSYL HYDROLASE
FAMILY 32, N
TERMINAL

(Saccharophagus
degradans) 		PF04616
(Glyco_hydro_43) 		4 VAL A 130
VAL A  94
TRP A  66
GLU A 129
 None
 1.25A 4cx3A-3r4zA:
undetectable
4cx3B-3r4zA:
undetectable		 4cx3A-3r4zA:
20.59
4cx3B-3r4zA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 4cx3A-3ri5K:
undetectable
4cx3B-3ri5K:
undetectable		 4cx3A-3ri5K:
19.19
4cx3B-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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.26A 4cx3A-3rjyA:
1.3
4cx3B-3rjyA:
undetectable		 4cx3A-3rjyA:
20.09
4cx3B-3rjyA:
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.
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
 0.91A 4cx3A-3t2nL:
undetectable
4cx3B-3t2nL:
undetectable		 4cx3A-3t2nL:
20.15
4cx3B-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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 VAL A 162
TRP A 140
PHE A 118
GLU A 141
 None
 1.27A 4cx3A-3tquA:
undetectable
4cx3B-3tquA:
undetectable		 4cx3A-3tquA:
17.25
4cx3B-3tquA:
17.25
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.
3ux9 SCFV ANTIBODY

(Homo sapiens) 		PF07686
(V-set) 		4 VAL B 111
ARG B  64
VAL B  20
GLU B  86
 None
 1.12A 4cx3A-3ux9B:
undetectable
4cx3B-3ux9B:
undetectable		 4cx3A-3ux9B:
21.18
4cx3B-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
 1.12A 4cx3A-3vv4A:
undetectable
4cx3B-3vv4A:
undetectable		 4cx3A-3vv4A:
19.24
4cx3B-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
 1.05A 4cx3A-3zl4L:
undetectable
4cx3B-3zl4L:
undetectable		 4cx3A-3zl4L:
19.53
4cx3B-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.
3zog FMN-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF01613
(Flavin_Reduct) 		4 VAL A 132
VAL A  41
PHE A  61
GLU A 112
 None
 1.19A 4cx3A-3zogA:
undetectable
4cx3B-3zogA:
undetectable		 4cx3A-3zogA:
17.95
4cx3B-3zogA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 VAL A 110
ARG A 150
VAL A 154
GLU A 144
 None
 1.13A 4cx3A-4b90A:
undetectable
4cx3B-4b90A:
undetectable		 4cx3A-4b90A:
20.09
4cx3B-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
 1.16A 4cx3A-4b92A:
undetectable
4cx3B-4b92A:
undetectable		 4cx3A-4b92A:
22.16
4cx3B-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
 1.17A 4cx3A-4de8A:
1.6
4cx3B-4de8A:
undetectable		 4cx3A-4de8A:
22.32
4cx3B-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
 1.07A 4cx3A-4dfiA:
undetectable
4cx3B-4dfiA:
undetectable		 4cx3A-4dfiA:
14.76
4cx3B-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
 0.91A 4cx3A-4eq5A:
undetectable
4cx3B-4eq5A:
undetectable		 4cx3A-4eq5A:
20.71
4cx3B-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
 1.04A 4cx3A-4fmfA:
undetectable
4cx3B-4fmfA:
undetectable		 4cx3A-4fmfA:
21.40
4cx3B-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.
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
 1.22A 4cx3A-4glrI:
undetectable
4cx3B-4glrI:
undetectable		 4cx3A-4glrI:
19.08
4cx3B-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
 1.10A 4cx3A-4l37B:
undetectable
4cx3B-4l37B:
undetectable		 4cx3A-4l37B:
20.83
4cx3B-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
 1.11A 4cx3A-4l95E:
undetectable
4cx3B-4l95E:
undetectable		 4cx3A-4l95E:
19.10
4cx3B-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
 1.23A 4cx3A-4m2xA:
undetectable
4cx3B-4m2xA:
undetectable		 4cx3A-4m2xA:
17.09
4cx3B-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
 1.10A 4cx3A-4o6xA:
undetectable
4cx3B-4o6xA:
undetectable		 4cx3A-4o6xA:
14.69
4cx3B-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
 1.28A 4cx3A-4o9hL:
undetectable
4cx3B-4o9hL:
undetectable		 4cx3A-4o9hL:
20.15
4cx3B-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
 1.21A 4cx3A-4ouoA:
undetectable
4cx3B-4ouoA:
undetectable		 4cx3A-4ouoA:
20.28
4cx3B-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
 1.23A 4cx3A-4p5wA:
undetectable
4cx3B-4p5wA:
undetectable		 4cx3A-4p5wA:
20.91
4cx3B-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
 1.07A 4cx3A-4rnrB:
undetectable
4cx3B-4rnrB:
undetectable		 4cx3A-4rnrB:
19.39
4cx3B-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
 1.02A 4cx3A-4u3vA:
undetectable
4cx3B-4u3vA:
undetectable		 4cx3A-4u3vA:
20.81
4cx3B-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
 1.02A 4cx3A-4unuA:
undetectable
4cx3B-4unuA:
undetectable		 4cx3A-4unuA:
13.92
4cx3B-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
 1.10A 4cx3A-4v1dE:
undetectable
4cx3B-4v1dE:
undetectable		 4cx3A-4v1dE:
14.76
4cx3B-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 ARG A 276
VAL A 305
PHE A 264
GLU A 266
 None
 1.10A 4cx3A-4xj6A:
undetectable
4cx3B-4xj6A:
undetectable		 4cx3A-4xj6A:
21.06
4cx3B-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
 1.09A 4cx3A-4xj6A:
undetectable
4cx3B-4xj6A:
undetectable		 4cx3A-4xj6A:
21.06
4cx3B-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.
4y4q SORTASE, SRTB FAMILY

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		4 VAL A  94
ARG A 225
VAL A 252
PHE A 167
 None
 1.23A 4cx3A-4y4qA:
undetectable
4cx3B-4y4qA:
undetectable		 4cx3A-4y4qA:
21.03
4cx3B-4y4qA:
21.03
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.
4y5x DIABODY 310 VH
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 VAL B 109
ARG B  62
VAL B  18
GLU B  84
 None
 0.93A 4cx3A-4y5xB:
undetectable
4cx3B-4y5xB:
undetectable		 4cx3A-4y5xB:
14.45
4cx3B-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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		4 VAL A 299
VAL A 147
TRP A  72
PHE A  64
 None
 1.28A 4cx3A-4yhsA:
undetectable
4cx3B-4yhsA:
undetectable		 4cx3A-4yhsA:
22.92
4cx3B-4yhsA:
22.92
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.
4yjz SCFV H2526

(Homo sapiens) 		PF07686
(V-set) 		4 VAL L 109
ARG L  62
VAL L  18
GLU L  84
 None
 1.18A 4cx3A-4yjzL:
undetectable
4cx3B-4yjzL:
undetectable		 4cx3A-4yjzL:
21.74
4cx3B-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
 1.18A 4cx3A-4zs7L:
undetectable
4cx3B-4zs7L:
undetectable		 4cx3A-4zs7L:
19.35
4cx3B-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.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		4 VAL A 117
ARG A 125
VAL A 105
GLU A 116
 None
 1.24A 4cx3A-5az0A:
undetectable
4cx3B-5az0A:
undetectable		 4cx3A-5az0A:
22.87
4cx3B-5az0A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.04A 4cx3A-5exeA:
undetectable
4cx3B-5exeA:
undetectable		 4cx3A-5exeA:
22.25
4cx3B-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
 1.03A 4cx3A-5f6hL:
undetectable
4cx3B-5f6hL:
undetectable		 4cx3A-5f6hL:
21.12
4cx3B-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
 1.25A 4cx3A-5fcsH:
undetectable
4cx3B-5fcsH:
undetectable		 4cx3A-5fcsH:
18.63
4cx3B-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
 0.98A 4cx3A-5fcsL:
undetectable
4cx3B-5fcsL:
undetectable		 4cx3A-5fcsL:
19.95
4cx3B-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)
 1.11A 4cx3A-5fcuL:
undetectable
4cx3B-5fcuL:
undetectable		 4cx3A-5fcuL:
19.54
4cx3B-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
 1.13A 4cx3A-5hhxL:
undetectable
4cx3B-5hhxL:
undetectable		 4cx3A-5hhxL:
20.09
4cx3B-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
 1.06A 4cx3A-5ihzB:
undetectable
4cx3B-5ihzB:
undetectable		 4cx3A-5ihzB:
19.86
4cx3B-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
 1.00A 4cx3A-5iltL:
undetectable
4cx3B-5iltL:
undetectable		 4cx3A-5iltL:
19.86
4cx3B-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
 1.21A 4cx3A-5ir3A:
undetectable
4cx3B-5ir3A:
undetectable		 4cx3A-5ir3A:
14.70
4cx3B-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.
5jo5 10E8 GLV

(Homo sapiens) 		no annotation 4 VAL L 106
ARG L  61
VAL L  19
GLU L  83
 None
 1.18A 4cx3A-5jo5L:
undetectable
4cx3B-5jo5L:
undetectable		 4cx3A-5jo5L:
18.85
4cx3B-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
 1.09A 4cx3A-5jseA:
undetectable
4cx3B-5jseA:
undetectable		 4cx3A-5jseA:
21.55
4cx3B-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)
 1.26A 4cx3A-5l6qA:
undetectable
4cx3B-5l6qA:
undetectable		 4cx3A-5l6qA:
14.99
4cx3B-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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.29A 4cx3A-5lp8B:
undetectable
4cx3B-5lp8B:
undetectable		 4cx3A-5lp8B:
20.65
4cx3B-5lp8B:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 4cx3A-5m8tA:
0.0
4cx3B-5m8tA:
undetectable		 4cx3A-5m8tA:
20.21
4cx3B-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
 1.05A 4cx3A-5mesL:
undetectable
4cx3B-5mesL:
undetectable		 4cx3A-5mesL:
20.00
4cx3B-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
 1.20A 4cx3A-5n2kG:
undetectable
4cx3B-5n2kG:
undetectable		 4cx3A-5n2kG:
12.07
4cx3B-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.
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
 0.94A 4cx3A-5ocyL:
undetectable
4cx3B-5ocyL:
undetectable		 4cx3A-5ocyL:
16.84
4cx3B-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
 1.09A 4cx3A-5t4zL:
undetectable
4cx3B-5t4zL:
undetectable		 4cx3A-5t4zL:
19.75
4cx3B-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
 1.05A 4cx3A-5ufmA:
undetectable
4cx3B-5ufmA:
undetectable		 4cx3A-5ufmA:
10.90
4cx3B-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
 1.02A 4cx3A-5uknL:
undetectable
4cx3B-5uknL:
undetectable		 4cx3A-5uknL:
12.25
4cx3B-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
 1.21A 4cx3A-5vf6A:
undetectable
4cx3B-5vf6A:
undetectable		 4cx3A-5vf6A:
11.11
4cx3B-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.
5wdu BNAB 35O22 FAB LIGHT
CHAIN

(Homo sapiens) 		no annotation 4 VAL I 106
ARG I  61
VAL I  19
GLU I  83
 None
 1.20A 4cx3A-5wduI:
undetectable
4cx3B-5wduI:
undetectable		 4cx3A-5wduI:
11.91
4cx3B-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.
5wsg PRE-MRNA-SPLICING
FACTOR
CLF1,PRE-MRNA-SPLICI
NG FACTOR CLF1,CLF1

(Saccharomyces
cerevisiae) 		no annotation 4 VAL d 206
VAL d 193
TRP d 205
TRP d 202
 None
 1.26A 4cx3A-5wsgd:
undetectable
4cx3B-5wsgd:
undetectable		 4cx3A-5wsgd:
12.44
4cx3B-5wsgd:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1

(Homo sapiens) 		PF00400
(WD40)
PF00931
(NB-ARC) 		4 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.28A 4cx3A-5wveA:
undetectable
4cx3B-5wveA:
undetectable		 4cx3A-5wveA:
15.34
4cx3B-5wveA:
15.34
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.
5x5w NECTIN-1

(Sus scrofa) 		PF07686
(V-set) 		4 VAL B 106
ARG B  60
VAL B  11
GLU B  83
 None
 1.08A 4cx3A-5x5wB:
undetectable
4cx3B-5x5wB:
undetectable		 4cx3A-5x5wB:
12.83
4cx3B-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
 1.08A 4cx3A-5xcvB:
undetectable
4cx3B-5xcvB:
undetectable		 4cx3A-5xcvB:
16.12
4cx3B-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
 1.17A 4cx3A-5xf7A:
undetectable
4cx3B-5xf7A:
undetectable		 4cx3A-5xf7A:
10.85
4cx3B-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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 VAL c  16
ARG F  49
PHE F  50
GLU c  51
 None
C  21421 ( 4.4A)
None
None
 1.03A 4cx3A-5xyic:
undetectable
4cx3B-5xyic:
undetectable		 4cx3A-5xyic:
11.36
4cx3B-5xyic:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zxd -

(-) 		no annotation 4 VAL A 513
VAL A 364
PHE A 343
GLU A 515
 None
ATP  A 602 ( 4.6A)
None
None
 1.27A 4cx3A-5zxdA:
undetectable
4cx3B-5zxdA:
undetectable		 4cx3A-5zxdA:
undetectable
4cx3B-5zxdA:
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 ARG A 331
VAL A 317
TRP A 316
GLU A 322
 None
UDP  A 501 ( 4.8A)
None
None
 1.29A 4cx3A-6bk1A:
0.0
4cx3B-6bk1A:
undetectable		 4cx3A-6bk1A:
13.48
4cx3B-6bk1A:
13.48