SIMILAR PATTERNS OF AMINO ACIDS FOR 3JX6_B_H4BB761_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 PHE A 222
VAL A 326
ARG A 219
VAL A 209
 None
 1.11A 3jx6A-1b41A:
0.0
3jx6B-1b41A:
0.0		 3jx6A-1b41A:
20.79
3jx6B-1b41A:
20.79
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 PHE A 222
VAL A 326
ARG A 219
VAL A 209
 None
 0.98A 3jx6A-1c2oA:
0.0
3jx6B-1c2oA:
0.0		 3jx6A-1c2oA:
20.21
3jx6B-1c2oA:
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.
1ccz PROTEIN (CD58)

(Homo sapiens) 		PF05790
(C2-set) 		4 GLU A  72
VAL A  92
ARG A  52
VAL A  13
 None
 0.94A 3jx6A-1cczA:
0.0
3jx6B-1cczA:
0.0		 3jx6A-1cczA:
17.72
3jx6B-1cczA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1edz 5,10-METHYLENETETRAH
YDROFOLATE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 PHE A  42
GLU A 121
VAL A 120
VAL A 114
 None
 1.17A 3jx6A-1edzA:
0.5
3jx6B-1edzA:
0.4		 3jx6A-1edzA:
22.27
3jx6B-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.
1em8 DNA POLYMERASE III
CHI SUBUNIT

(Escherichia
coli) 		PF04364
(DNA_pol3_chi) 		4 PHE A   6
VAL A  21
ARG A 130
VAL A 114
 None
 1.31A 3jx6A-1em8A:
0.0
3jx6B-1em8A:
0.7		 3jx6A-1em8A:
18.05
3jx6B-1em8A:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hqo URE2 PROTEIN

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 GLU A 260
VAL A 334
VAL A 299
TRP A 337
 None
 1.10A 3jx6A-1hqoA:
0.4
3jx6B-1hqoA:
0.4		 3jx6A-1hqoA:
19.28
3jx6B-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 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.07A 3jx6A-1mzbA:
0.8
3jx6B-1mzbA:
0.3		 3jx6A-1mzbA:
16.59
3jx6B-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.
1pw3 IMMUNOGLOBULIN
LAMBDA CHAIN
VARIABLE REGION

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A  83
VAL A 106
ARG A  61
VAL A  19
 None
 0.89A 3jx6A-1pw3A:
0.0
3jx6B-1pw3A:
0.0		 3jx6A-1pw3A:
13.95
3jx6B-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 PHE B 163
GLU B  26
ARG B 156
VAL B 128
 None
 1.12A 3jx6A-1wqlB:
0.0
3jx6B-1wqlB:
0.0		 3jx6A-1wqlB:
19.79
3jx6B-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 PHE A  16
VAL A  27
VAL A 140
TRP A  36
 None
 0.98A 3jx6A-1xn6A:
undetectable
3jx6B-1xn6A:
undetectable		 3jx6A-1xn6A:
15.33
3jx6B-1xn6A:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9m GAPA225

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A 115
VAL A 136
ARG A  92
VAL A  56
 None
 1.06A 3jx6A-1z9mA:
undetectable
3jx6B-1z9mA:
undetectable		 3jx6A-1z9mA:
17.61
3jx6B-1z9mA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a9m FLUORESCEIN-SCFV
LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 GLU L 101
VAL L 147
ARG L  77
VAL L  19
 None
 0.97A 3jx6A-2a9mL:
undetectable
3jx6B-2a9mL:
undetectable		 3jx6A-2a9mL:
13.74
3jx6B-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 PHE A 722
GLU A 693
ARG A 708
VAL A1424
 None
 1.05A 3jx6A-2b39A:
undetectable
3jx6B-2b39A:
undetectable		 3jx6A-2b39A:
13.74
3jx6B-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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 GLU A 555
ARG A 586
VAL A 578
TRP A 579
 None
 1.24A 3jx6A-2fjaA:
0.5
3jx6B-2fjaA:
0.6		 3jx6A-2fjaA:
22.29
3jx6B-2fjaA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 PHE A  29
GLU A  27
VAL A  23
ARG A 116
 None
 1.27A 3jx6A-2incA:
undetectable
3jx6B-2incA:
undetectable		 3jx6A-2incA:
21.48
3jx6B-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 PHE A  52
GLU A  47
VAL A  43
VAL A  61
 None
 1.14A 3jx6A-2jvoA:
undetectable
3jx6B-2jvoA:
undetectable		 3jx6A-2jvoA:
13.86
3jx6B-2jvoA:
13.86
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.
2noz N-GLYCOSYLASE/DNA
LYASE

(Homo sapiens) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 PHE A 303
GLU A 298
VAL A 267
TRP A 272
 None
 1.07A 3jx6A-2nozA:
undetectable
3jx6B-2nozA:
undetectable		 3jx6A-2nozA:
22.25
3jx6B-2nozA:
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 PHE A 296
VAL A  52
ARG A 311
VAL A  44
 None
EOH  A 502 (-4.7A)
None
None
 1.16A 3jx6A-2nxfA:
0.4
3jx6B-2nxfA:
0.4		 3jx6A-2nxfA:
22.59
3jx6B-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 PHE A  49
VAL A 152
ARG A 179
VAL A 170
 None
 1.27A 3jx6A-2ot9A:
undetectable
3jx6B-2ot9A:
undetectable		 3jx6A-2ot9A:
19.07
3jx6B-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.
2p8j S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF08241
(Methyltransf_11) 		4 PHE A 169
GLU A 164
VAL A 160
VAL A 196
 None
 1.32A 3jx6A-2p8jA:
undetectable
3jx6B-2p8jA:
2.6		 3jx6A-2p8jA:
21.95
3jx6B-2p8jA:
21.95
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.10A 3jx6A-2vpwA:
undetectable
3jx6B-2vpwA:
undetectable		 3jx6A-2vpwA:
20.78
3jx6B-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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 PHE A 698
GLU A 722
ARG A 697
VAL A 717
 None
 1.29A 3jx6A-2xvgA:
undetectable
3jx6B-2xvgA:
undetectable		 3jx6A-2xvgA:
19.20
3jx6B-2xvgA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 PHE A 309
GLU A 305
ARG A 211
VAL A 239
 None
 1.31A 3jx6A-2ywbA:
0.2
3jx6B-2ywbA:
undetectable		 3jx6A-2ywbA:
21.67
3jx6B-2ywbA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjl LOC - LAMBDA 1 TYPE
LIGHT-CHAIN DIMER

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU A  84
VAL A 109
ARG A  62
VAL A  18
 None
 1.14A 3jx6A-3bjlA:
undetectable
3jx6B-3bjlA:
undetectable		 3jx6A-3bjlA:
21.09
3jx6B-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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 248
PHE A 243
GLU A 245
ARG A 260
 None
 1.31A 3jx6A-3f3zA:
undetectable
3jx6B-3f3zA:
undetectable		 3jx6A-3f3zA:
21.03
3jx6B-3f3zA:
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.
3ih5 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Bacteroides
thetaiotaomicron) 		PF01012
(ETF) 		4 GLU A 169
VAL A  17
ARG A 101
VAL A 167
 None
None
FMT  A 218 ( 4.1A)
None
 1.29A 3jx6A-3ih5A:
undetectable
3jx6B-3ih5A:
undetectable		 3jx6A-3ih5A:
20.65
3jx6B-3ih5A:
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.
3iy4 FRAGMENT OF
NEUTRALIZING
ANTIBODY 15 (HEAVY
CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 PHE B 173
VAL B 221
ARG B 172
VAL B 123
 None
 1.15A 3jx6A-3iy4B:
undetectable
3jx6B-3iy4B:
undetectable		 3jx6A-3iy4B:
13.03
3jx6B-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 PHE A  65
GLU A 118
VAL A 114
VAL A 105
 None
 1.00A 3jx6A-3kxaA:
undetectable
3jx6B-3kxaA:
undetectable		 3jx6A-3kxaA:
17.40
3jx6B-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 PHE A 133
GLU A 122
VAL A 120
ARG A  69
 None
 1.26A 3jx6A-3lccA:
undetectable
3jx6B-3lccA:
undetectable		 3jx6A-3lccA:
19.81
3jx6B-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 GLU A  84
VAL A 109
ARG A  62
VAL A  18
 None
 0.87A 3jx6A-3lrhA:
undetectable
3jx6B-3lrhA:
undetectable		 3jx6A-3lrhA:
17.27
3jx6B-3lrhA:
17.27
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.
3mj9 JUNCTIONAL ADHESION
MOLECULE-LIKE

(Mus musculus) 		PF07686
(V-set) 		4 GLU A  94
VAL A 118
ARG A  70
VAL A  21
 None
 1.05A 3jx6A-3mj9A:
undetectable
3jx6B-3mj9A:
undetectable		 3jx6A-3mj9A:
21.26
3jx6B-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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.23A 3jx6A-3owcA:
1.1
3jx6B-3owcA:
undetectable		 3jx6A-3owcA:
17.11
3jx6B-3owcA:
17.11
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.
3p30 1281 FAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 0.83A 3jx6A-3p30L:
undetectable
3jx6B-3p30L:
undetectable		 3jx6A-3p30L:
19.95
3jx6B-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 PHE A 161
VAL A  85
ARG A 199
VAL A  24
 None
 1.19A 3jx6A-3qawA:
undetectable
3jx6B-3qawA:
undetectable		 3jx6A-3qawA:
20.19
3jx6B-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 GLU A 129
VAL A 130
VAL A  94
TRP A  66
 None
 1.22A 3jx6A-3r4zA:
undetectable
3jx6B-3r4zA:
undetectable		 3jx6A-3r4zA:
20.81
3jx6B-3r4zA:
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.
3ri5 MOUSE MONOCLONAL FAB
FRAGMENT, LIGHT
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU K  85
VAL K 108
ARG K  63
VAL K  18
 None
 1.20A 3jx6A-3ri5K:
undetectable
3jx6B-3ri5K:
undetectable		 3jx6A-3ri5K:
19.19
3jx6B-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.
3t2n ANTIBODY, FAB
FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 0.87A 3jx6A-3t2nL:
undetectable
3jx6B-3t2nL:
undetectable		 3jx6A-3t2nL:
20.15
3jx6B-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.
3t2n ANTIBODY, FAB
FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PHE L  62
VAL L 106
ARG L  61
VAL L  19
 None
 1.31A 3jx6A-3t2nL:
undetectable
3jx6B-3t2nL:
undetectable		 3jx6A-3t2nL:
20.15
3jx6B-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 TRP A 140
PHE A 118
GLU A 141
VAL A 162
 None
 1.27A 3jx6A-3tquA:
undetectable
3jx6B-3tquA:
undetectable		 3jx6A-3tquA:
17.25
3jx6B-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 GLU B  86
VAL B 111
ARG B  64
VAL B  20
 None
 1.07A 3jx6A-3ux9B:
undetectable
3jx6B-3ux9B:
undetectable		 3jx6A-3ux9B:
21.18
3jx6B-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 PHE A  67
GLU A  73
VAL A  72
TRP A  71
 None
None
None
PVG  A 201 (-3.6A)
 1.10A 3jx6A-3vv4A:
undetectable
3jx6B-3vv4A:
undetectable		 3jx6A-3vv4A:
19.24
3jx6B-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.
3w3s TYPE-2 SERINE--TRNA
LIGASE

(Methanopyrus
kandleri) 		PF00587
(tRNA-synt_2b) 		4 GLU A 131
VAL A 129
ARG A 103
VAL A 107
 None
 1.25A 3jx6A-3w3sA:
undetectable
3jx6B-3w3sA:
undetectable		 3jx6A-3w3sA:
23.19
3jx6B-3w3sA:
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.
3zl4 A17 ANTIBODY FAB
FRAGMENT LAMBDA
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  84
VAL L 108
ARG L  62
VAL L  18
 None
 0.99A 3jx6A-3zl4L:
undetectable
3jx6B-3zl4L:
undetectable		 3jx6A-3zl4L:
19.53
3jx6B-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 GLU A 144
VAL A 110
ARG A 150
VAL A 154
 None
 1.14A 3jx6A-4b90A:
undetectable
3jx6B-4b90A:
undetectable		 3jx6A-4b90A:
20.48
3jx6B-4b90A:
20.48
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 GLU A 144
VAL A 110
ARG A 150
VAL A 154
 None
 1.15A 3jx6A-4b92A:
undetectable
3jx6B-4b92A:
undetectable		 3jx6A-4b92A:
22.16
3jx6B-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.
4d0m RAS-RELATED PROTEIN
RAB-11A

(Homo sapiens) 		PF00071
(Ras) 		4 VAL B  46
ARG B  82
VAL B  15
TRP B  65
 None
 1.23A 3jx6A-4d0mB:
undetectable
3jx6B-4d0mB:
undetectable		 3jx6A-4d0mB:
21.63
3jx6B-4d0mB:
21.63
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.
4dfi POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 2

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A 105
VAL A 128
ARG A  72
VAL A  20
 None
 1.01A 3jx6A-4dfiA:
undetectable
3jx6B-4dfiA:
undetectable		 3jx6A-4dfiA:
14.76
3jx6B-4dfiA:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLU A 218
VAL A 214
ARG A 200
VAL A 193
 None
 0.85A 3jx6A-4eq5A:
undetectable
3jx6B-4eq5A:
undetectable		 3jx6A-4eq5A:
20.54
3jx6B-4eq5A:
20.54
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.
4fmf POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 1

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2)
PF13927
(Ig_3) 		4 GLU A 119
VAL A 142
ARG A  96
VAL A  47
 None
 1.02A 3jx6A-4fmfA:
undetectable
3jx6B-4fmfA:
undetectable		 3jx6A-4fmfA:
21.40
3jx6B-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 GLU I  83
VAL I 106
ARG I  61
VAL I  19
 None
 1.18A 3jx6A-4glrI:
undetectable
3jx6B-4glrI:
undetectable		 3jx6A-4glrI:
19.08
3jx6B-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.
4glt GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Methylobacillus
flagellatus) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 PHE A 152
VAL A  76
ARG A 192
VAL A  18
 None
 1.26A 3jx6A-4gltA:
undetectable
3jx6B-4gltA:
1.2		 3jx6A-4gltA:
19.07
3jx6B-4gltA:
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 327
GLU B 424
VAL B 351
TRP B 355
 None
 1.06A 3jx6A-4l37B:
undetectable
3jx6B-4l37B:
0.9		 3jx6A-4l37B:
20.83
3jx6B-4l37B:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 4 PHE E  37
GLU E  39
VAL E  45
VAL E 249
 None
 1.10A 3jx6A-4l95E:
undetectable
3jx6B-4l95E:
undetectable		 3jx6A-4l95E:
19.10
3jx6B-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 GLU A  84
VAL A  79
ARG A  61
VAL A  41
 None
 1.17A 3jx6A-4m2xA:
undetectable
3jx6B-4m2xA:
undetectable		 3jx6A-4m2xA:
17.09
3jx6B-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 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.09A 3jx6A-4o6xA:
undetectable
3jx6B-4o6xA:
undetectable		 3jx6A-4o6xA:
14.69
3jx6B-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.
4ouo ANTI BLA G 1 SCFV

(Gallus gallus) 		PF07686
(V-set) 		4 GLU A  82
VAL A 106
ARG A  60
VAL A  18
 None
 1.14A 3jx6A-4ouoA:
undetectable
3jx6B-4ouoA:
undetectable		 3jx6A-4ouoA:
20.28
3jx6B-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.
4p49 ANTIBODY SCFV B8

(Gallus gallus) 		PF07686
(V-set) 		4 GLU A  78
VAL A 101
ARG A  56
VAL A  16
 None
 1.25A 3jx6A-4p49A:
undetectable
3jx6B-4p49A:
undetectable		 3jx6A-4p49A:
21.78
3jx6B-4p49A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p5w CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2,CALCIUM-BIND
ING MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2

(Homo sapiens) 		no annotation 4 PHE A 273
GLU A 268
VAL A 264
VAL A 255
 None
 1.21A 3jx6A-4p5wA:
undetectable
3jx6B-4p5wA:
undetectable		 3jx6A-4p5wA:
20.91
3jx6B-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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 PHE A 583
GLU A 430
VAL A 592
VAL A 567
 None
 1.30A 3jx6A-4pj3A:
undetectable
3jx6B-4pj3A:
2.8		 3jx6A-4pj3A:
13.24
3jx6B-4pj3A:
13.24
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.
4rnr PGT130 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU B  83
VAL B 106
ARG B  61
VAL B  19
 None
 1.04A 3jx6A-4rnrB:
undetectable
3jx6B-4rnrB:
undetectable		 3jx6A-4rnrB:
19.39
3jx6B-4rnrB:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.06A 3jx6A-4u3vA:
undetectable
3jx6B-4u3vA:
undetectable		 3jx6A-4u3vA:
20.81
3jx6B-4u3vA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4unu IG LAMBDA CHAIN V-II
REGION MGC

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A  85
VAL A 109
ARG A  63
VAL A  18
 None
 0.99A 3jx6A-4unuA:
undetectable
3jx6B-4unuA:
undetectable		 3jx6A-4unuA:
13.92
3jx6B-4unuA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1d SINGLE CHAIN
ANTIBODY FRAGMENT
RU1, LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 GLU E 223
VAL E 248
ARG E 201
VAL E 157
 None
 1.03A 3jx6A-4v1dE:
undetectable
3jx6B-4v1dE:
undetectable		 3jx6A-4v1dE:
14.76
3jx6B-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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 TRP A 267
PHE A 268
ARG A 280
VAL A 309
 None
 1.24A 3jx6A-4xj5A:
undetectable
3jx6B-4xj5A:
undetectable		 3jx6A-4xj5A:
20.61
3jx6B-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 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.19A 3jx6A-4xj6A:
undetectable
3jx6B-4xj6A:
1.7		 3jx6A-4xj6A:
21.06
3jx6B-4xj6A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.15A 3jx6A-4xj6A:
undetectable
3jx6B-4xj6A:
1.7		 3jx6A-4xj6A:
21.06
3jx6B-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 PHE A 167
VAL A  94
ARG A 225
VAL A 252
 None
 1.15A 3jx6A-4y4qA:
undetectable
3jx6B-4y4qA:
undetectable		 3jx6A-4y4qA:
21.03
3jx6B-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 GLU B  84
VAL B 109
ARG B  62
VAL B  18
 None
 0.87A 3jx6A-4y5xB:
undetectable
3jx6B-4y5xB:
undetectable		 3jx6A-4y5xB:
14.45
3jx6B-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 GLU L  84
VAL L 109
ARG L  62
VAL L  18
 None
 1.08A 3jx6A-4yjzL:
undetectable
3jx6B-4yjzL:
undetectable		 3jx6A-4yjzL:
21.74
3jx6B-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 GLU L  85
VAL L 109
ARG L  63
VAL L  18
 None
 1.09A 3jx6A-4zs7L:
undetectable
3jx6B-4zs7L:
undetectable		 3jx6A-4zs7L:
19.35
3jx6B-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 PHE A 372
GLU A 367
VAL A 363
VAL A 279
 None
 1.09A 3jx6A-5exeA:
1.0
3jx6B-5exeA:
undetectable		 3jx6A-5exeA:
22.25
3jx6B-5exeA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f6h DH427 ANTIBODY LIGHT
CHAIN

(Macaca mulatta) 		no annotation 4 GLU L  85
VAL L 109
ARG L  63
VAL L  18
 None
 1.01A 3jx6A-5f6hL:
undetectable
3jx6B-5f6hL:
undetectable		 3jx6A-5f6hL:
21.12
3jx6B-5f6hL:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fcs DIABODY

(Homo sapiens) 		PF07686
(V-set) 		4 GLU H  85
VAL H 108
ARG H  63
VAL H  18
 None
 1.24A 3jx6A-5fcsH:
undetectable
3jx6B-5fcsH:
undetectable		 3jx6A-5fcsH:
18.63
3jx6B-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 GLU L  84
VAL L 109
ARG L  62
VAL L  18
 None
None
SO4  L 304 ( 4.9A)
None
 0.94A 3jx6A-5fcsL:
undetectable
3jx6B-5fcsL:
undetectable		 3jx6A-5fcsL:
19.95
3jx6B-5fcsL:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fcu JR4 FAB LIGHT CHAIN

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 SO4  L 301 ( 4.5A)
None
SO4  L 303 (-3.9A)
None
 1.07A 3jx6A-5fcuL:
undetectable
3jx6B-5fcuL:
undetectable		 3jx6A-5fcuL:
19.54
3jx6B-5fcuL:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hhx CAT-2000 FAB LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.03A 3jx6A-5hhxL:
undetectable
3jx6B-5hhxL:
undetectable		 3jx6A-5hhxL:
20.09
3jx6B-5hhxL:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihz 1E01 FAB FRAGMENT
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU B  99
VAL B 126
ARG B  75
VAL B  19
 None
 1.03A 3jx6A-5ihzB:
undetectable
3jx6B-5ihzB:
undetectable		 3jx6A-5ihzB:
19.86
3jx6B-5ihzB:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ilt BOVINE FAB A01 LIGHT
CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 0.99A 3jx6A-5iltL:
undetectable
3jx6B-5iltL:
undetectable		 3jx6A-5iltL:
19.86
3jx6B-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 GLU A  86
VAL A 110
ARG A  62
VAL A  18
 None
 1.17A 3jx6A-5ir3A:
undetectable
3jx6B-5ir3A:
undetectable		 3jx6A-5ir3A:
14.70
3jx6B-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.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		4 PHE A 112
GLU A 165
VAL A 161
VAL A 102
 None
 1.31A 3jx6A-5it0A:
undetectable
3jx6B-5it0A:
undetectable		 3jx6A-5it0A:
23.06
3jx6B-5it0A:
23.06
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.
5jo5 10E8 GLV

(Homo sapiens) 		no annotation 4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.16A 3jx6A-5jo5L:
undetectable
3jx6B-5jo5L:
undetectable		 3jx6A-5jo5L:
18.85
3jx6B-5jo5L:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.15A 3jx6A-5jseA:
undetectable
3jx6B-5jseA:
undetectable		 3jx6A-5jseA:
21.69
3jx6B-5jseA:
21.69
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.
5jxa VRC03 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PHE H  82
VAL H 111
ARG H  66
VAL H  18
 None
 1.32A 3jx6A-5jxaH:
undetectable
3jx6B-5jxaH:
undetectable		 3jx6A-5jxaH:
20.89
3jx6B-5jxaH:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.06A 3jx6A-5m8tA:
undetectable
3jx6B-5m8tA:
undetectable		 3jx6A-5m8tA:
20.21
3jx6B-5m8tA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mes LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  84
VAL L 109
ARG L  62
VAL L  18
 None
 1.02A 3jx6A-5mesL:
undetectable
3jx6B-5mesL:
undetectable		 3jx6A-5mesL:
20.00
3jx6B-5mesL:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ocy ACPA E4 FAB FRAGMENT
- LIGHT CHAIN

(Homo sapiens) 		no annotation 4 GLU L  84
VAL L 109
ARG L  62
VAL L  18
 None
 0.89A 3jx6A-5ocyL:
undetectable
3jx6B-5ocyL:
undetectable		 3jx6A-5ocyL:
16.84
3jx6B-5ocyL:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t4z ANTIBODY DH501 FAB
LIGHT CHAIN

(Macaca mulatta) 		no annotation 4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.02A 3jx6A-5t4zL:
undetectable
3jx6B-5t4zL:
undetectable		 3jx6A-5t4zL:
19.75
3jx6B-5t4zL:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 4 PHE A 129
VAL A  94
ARG A 128
VAL A  91
 None
 1.07A 3jx6A-5ufmA:
0.9
3jx6B-5ufmA:
0.9		 3jx6A-5ufmA:
10.90
3jx6B-5ufmA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukn DH522UCA FAB
FRAGMENT LIGHT CHAIN

(Macaca mulatta) 		no annotation 4 GLU L  83
VAL L 106
ARG L  61
VAL L  19
 None
 1.00A 3jx6A-5uknL:
undetectable
3jx6B-5uknL:
undetectable		 3jx6A-5uknL:
12.25
3jx6B-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 GLU A  80
VAL A 104
ARG A  58
VAL A  16
 None
 1.16A 3jx6A-5vf6A:
undetectable
3jx6B-5vf6A:
undetectable		 3jx6A-5vf6A:
11.11
3jx6B-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 GLU I  83
VAL I 106
ARG I  61
VAL I  19
 None
 1.16A 3jx6A-5wduI:
undetectable
3jx6B-5wduI:
undetectable		 3jx6A-5wduI:
11.91
3jx6B-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.
5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1

(Homo sapiens) 		PF00400
(WD40)
PF00931
(NB-ARC) 		4 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.31A 3jx6A-5wveA:
undetectable
3jx6B-5wveA:
undetectable		 3jx6A-5wveA:
15.42
3jx6B-5wveA:
15.42
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.
5x5w NECTIN-1

(Sus scrofa) 		PF07686
(V-set) 		4 GLU B  83
VAL B 106
ARG B  60
VAL B  11
 None
 1.03A 3jx6A-5x5wB:
undetectable
3jx6B-5x5wB:
undetectable		 3jx6A-5x5wB:
12.83
3jx6B-5x5wB:
12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xcv VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA

(Homo sapiens;
Rattus) 		no annotation 4 GLU B  83
VAL B 106
ARG B  61
VAL B  19
 None
 1.02A 3jx6A-5xcvB:
undetectable
3jx6B-5xcvB:
undetectable		 3jx6A-5xcvB:
16.36
3jx6B-5xcvB:
16.36
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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 4 PHE A 113
GLU A 106
ARG A 129
VAL A  65
 None
 1.17A 3jx6A-5xf7A:
undetectable
3jx6B-5xf7A:
undetectable		 3jx6A-5xf7A:
10.85
3jx6B-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.
5yfg RAN GUANINE
NUCLEOTIDE RELEASE
FACTOR

(Homo sapiens) 		no annotation 4 PHE A  68
GLU A  61
VAL A  85
VAL A  82
 None
 1.31A 3jx6A-5yfgA:
undetectable
3jx6B-5yfgA:
undetectable		 3jx6A-5yfgA:
16.82
3jx6B-5yfgA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zxd -

(-) 		no annotation 4 PHE A 343
GLU A 515
VAL A 513
VAL A 364
 None
None
None
ATP  A 602 ( 4.6A)
 1.25A 3jx6A-5zxdA:
undetectable
3jx6B-5zxdA:
undetectable		 3jx6A-5zxdA:
undetectable
3jx6B-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.
6b0n PGV19 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 PHE D  82
VAL D 111
ARG D  66
VAL D  18
 None
 1.27A 3jx6A-6b0nD:
undetectable
3jx6B-6b0nD:
undetectable		 3jx6A-6b0nD:
12.81
3jx6B-6b0nD:
12.81
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 GLU A 322
ARG A 331
VAL A 317
TRP A 316
 None
None
UDP  A 501 ( 4.8A)
None
 1.28A 3jx6A-6bk1A:
0.0
3jx6B-6bk1A:
undetectable		 3jx6A-6bk1A:
13.48
3jx6B-6bk1A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f49 -

(-) 		no annotation 4 GLU A 195
VAL A 196
ARG A 223
VAL A 113
 None
 1.27A 3jx6A-6f49A:
undetectable
3jx6B-6f49A:
undetectable		 3jx6A-6f49A:
undetectable
3jx6B-6f49A:
undetectable