SIMILAR PATTERNS OF AMINO ACIDS FOR 2J9C_A_ACTA1122

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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		4 SER A  42
LYS A  44
SER A  85
SER A  58
 None
 1.25A 2j9cA-1b5fA:
0.0
2j9cB-1b5fA:
0.0
2j9cC-1b5fA:
0.0		 2j9cA-1b5fA:
18.14
2j9cB-1b5fA:
18.14
2j9cC-1b5fA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		4 SER A  85
SER A  58
SER A  42
LYS A  44
 None
 1.33A 2j9cA-1b5fA:
0.0
2j9cB-1b5fA:
0.0
2j9cC-1b5fA:
0.0		 2j9cA-1b5fA:
18.14
2j9cB-1b5fA:
18.14
2j9cC-1b5fA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bey CAMPATH-1H ANTIBODY

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H 185
LYS H 151
VAL H 177
SER H 181
 None
 1.19A 2j9cA-1beyH:
0.0
2j9cB-1beyH:
undetectable
2j9cC-1beyH:
0.0		 2j9cA-1beyH:
15.84
2j9cB-1beyH:
15.84
2j9cC-1beyH:
15.84
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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		4 SER A 208
VAL A 198
LYS A 239
SER A 264
 None
 1.45A 2j9cA-1cemA:
undetectable
2j9cB-1cemA:
0.0
2j9cC-1cemA:
undetectable		 2j9cA-1cemA:
16.15
2j9cB-1cemA:
16.15
2j9cC-1cemA:
16.15
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.
1ej8 LYS7

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu) 		4 SER A 132
LYS A 152
SER A 193
VAL A 191
 None
 1.30A 2j9cA-1ej8A:
0.0
2j9cB-1ej8A:
0.0
2j9cC-1ej8A:
0.0		 2j9cA-1ej8A:
20.39
2j9cB-1ej8A:
20.39
2j9cC-1ej8A:
20.39
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.
1elk TARGET OF MYB1

(Homo sapiens) 		PF00790
(VHS) 		4 SER A  97
VAL A  98
LYS A  55
SER A  91
 None
 1.19A 2j9cA-1elkA:
0.0
2j9cB-1elkA:
0.0
2j9cC-1elkA:
0.0		 2j9cA-1elkA:
20.99
2j9cB-1elkA:
20.99
2j9cC-1elkA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		4 SER A 320
SER A 358
VAL A 356
SER A 318
 None
 1.45A 2j9cA-1eyyA:
0.0
2j9cB-1eyyA:
0.0
2j9cC-1eyyA:
0.0		 2j9cA-1eyyA:
11.85
2j9cB-1eyyA:
11.85
2j9cC-1eyyA:
11.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpt KP4 TOXIN

(Ustilago maydis) 		PF09044
(Kp4) 		4 SER A  51
LYS A  42
SER A 104
VAL A 102
 None
 1.30A 2j9cA-1kptA:
0.0
2j9cB-1kptA:
undetectable
2j9cC-1kptA:
0.0		 2j9cA-1kptA:
18.42
2j9cB-1kptA:
18.42
2j9cC-1kptA:
18.42
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		4 SER A 674
SER A 353
VAL A 379
SER A 676
 None
 1.14A 2j9cA-1l1lA:
0.0
2j9cB-1l1lA:
0.0
2j9cC-1l1lA:
0.0		 2j9cA-1l1lA:
10.55
2j9cB-1l1lA:
10.55
2j9cC-1l1lA:
10.55
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.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 SER A  44
LYS A  46
SER A  87
SER A  60
 None
 1.10A 2j9cA-1miqA:
0.0
2j9cB-1miqA:
0.0
2j9cC-1miqA:
0.0		 2j9cA-1miqA:
16.80
2j9cB-1miqA:
16.80
2j9cC-1miqA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 SER A  87
SER A  60
SER A  44
LYS A  46
 None
 1.14A 2j9cA-1miqA:
0.0
2j9cB-1miqA:
0.0
2j9cC-1miqA:
0.0		 2j9cA-1miqA:
16.80
2j9cB-1miqA:
16.80
2j9cC-1miqA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		4 SER B 167
SER B 119
VAL B 117
SER B 135
 None
 0.96A 2j9cA-1poiB:
undetectable
2j9cB-1poiB:
undetectable
2j9cC-1poiB:
undetectable		 2j9cA-1poiB:
17.21
2j9cB-1poiB:
17.21
2j9cC-1poiB:
17.21
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.
1r8o KUNITZ TRYPSIN
INHIBITOR
KUNITZ TRYPSIN
INHIBITOR

(Copaifera
langsdorffii;
Copaifera
langsdorffii) 		PF00197
(Kunitz_legume)
PF00197
(Kunitz_legume) 		4 SER B 101
LYS A  94
VAL B 152
SER A  43
 None
 1.02A 2j9cA-1r8oB:
undetectable
2j9cB-1r8oB:
undetectable
2j9cC-1r8oB:
undetectable		 2j9cA-1r8oB:
28.21
2j9cB-1r8oB:
28.21
2j9cC-1r8oB:
28.21
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.
1ufg LAMIN A

(Mus musculus) 		PF00932
(LTD) 		4 SER A  31
SER A 146
VAL A 144
SER A  28
 None
 1.45A 2j9cA-1ufgA:
undetectable
2j9cB-1ufgA:
undetectable
2j9cC-1ufgA:
undetectable		 2j9cA-1ufgA:
20.13
2j9cB-1ufgA:
20.13
2j9cC-1ufgA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 SER A 257
LYS A 254
SER A  88
VAL A 107
 None
 1.48A 2j9cA-1ulvA:
undetectable
2j9cB-1ulvA:
undetectable
2j9cC-1ulvA:
undetectable		 2j9cA-1ulvA:
7.98
2j9cB-1ulvA:
7.98
2j9cC-1ulvA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1um2 ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae) 		PF05203
(Hom_end_hint)
PF05204
(Hom_end) 		4 SER A 669
LYS A 619
SER A 645
VAL A 643
 None
 1.23A 2j9cA-1um2A:
1.1
2j9cB-1um2A:
1.3
2j9cC-1um2A:
1.0		 2j9cA-1um2A:
15.54
2j9cB-1um2A:
15.54
2j9cC-1um2A:
15.54
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		4 SER A  44
LYS A  46
SER A  87
SER A  60
 None
 1.19A 2j9cA-2anlA:
undetectable
2j9cB-2anlA:
undetectable
2j9cC-2anlA:
undetectable		 2j9cA-2anlA:
17.83
2j9cB-2anlA:
17.83
2j9cC-2anlA:
17.83
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.
2vmh FIBRONECTIN TYPE III
DOMAIN PROTEIN

(Clostridium
perfringens) 		PF08305
(NPCBM) 		4 LYS A1000
SER A 991
VAL A1029
LYS A1031
 None
 1.02A 2j9cA-2vmhA:
undetectable
2j9cB-2vmhA:
undetectable
2j9cC-2vmhA:
undetectable		 2j9cA-2vmhA:
22.58
2j9cB-2vmhA:
22.58
2j9cC-2vmhA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vuo IG GAMMA CHAIN C
REGION

(Oryctolagus
cuniculus) 		PF07654
(C1-set) 		4 SER A 378
LYS A 248
SER A 426
VAL A 379
 FMT  A1458 ( 2.6A)
FMT  A1458 (-2.8A)
FMT  A1458 (-2.7A)
GOL  A1454 (-4.5A)
 1.29A 2j9cA-2vuoA:
undetectable
2j9cB-2vuoA:
undetectable
2j9cC-2vuoA:
undetectable		 2j9cA-2vuoA:
22.28
2j9cB-2vuoA:
22.28
2j9cC-2vuoA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 SER A 597
SER A 712
VAL A 716
SER A 634
 None
 1.44A 2j9cA-3aqpA:
4.0
2j9cB-3aqpA:
4.0
2j9cC-3aqpA:
3.1		 2j9cA-3aqpA:
10.66
2j9cB-3aqpA:
10.66
2j9cC-3aqpA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctm CARBONYL REDUCTASE

(Candida
parapsilosis) 		PF13561
(adh_short_C2) 		4 SER A 166
SER A 259
VAL A 114
SER A 262
 None
 1.24A 2j9cA-3ctmA:
undetectable
2j9cB-3ctmA:
undetectable
2j9cC-3ctmA:
undetectable		 2j9cA-3ctmA:
17.73
2j9cB-3ctmA:
17.73
2j9cC-3ctmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ed3 PROTEIN
DISULFIDE-ISOMERASE
MPD1

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		4 SER A 188
VAL A 190
SER A 182
LYS A 183
 ACT  A1106 (-4.6A)
None
None
None
 1.29A 2j9cA-3ed3A:
undetectable
2j9cB-3ed3A:
undetectable
2j9cC-3ed3A:
undetectable		 2j9cA-3ed3A:
19.53
2j9cB-3ed3A:
19.53
2j9cC-3ed3A:
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.
3er6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR PROTEIN

(Vibrio
parahaemolyticus) 		PF01965
(DJ-1_PfpI) 		4 SER A 174
SER A 166
VAL A 175
SER A 171
 None
 1.45A 2j9cA-3er6A:
undetectable
2j9cB-3er6A:
undetectable
2j9cC-3er6A:
undetectable		 2j9cA-3er6A:
22.27
2j9cB-3er6A:
22.27
2j9cC-3er6A:
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.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		4 SER A 138
VAL A 109
LYS A  44
SER A 136
 None
 1.14A 2j9cA-3g5lA:
undetectable
2j9cB-3g5lA:
undetectable
2j9cC-3g5lA:
undetectable		 2j9cA-3g5lA:
20.08
2j9cB-3g5lA:
20.08
2j9cC-3g5lA:
20.08
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.
3g7s LONG-CHAIN-FATTY-ACI
D--COA LIGASE
(FADD-1)

(Archaeoglobus
fulgidus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 SER A  38
SER A  85
VAL A 249
SER A  45
 None
 1.43A 2j9cA-3g7sA:
undetectable
2j9cB-3g7sA:
undetectable
2j9cC-3g7sA:
undetectable		 2j9cA-3g7sA:
13.66
2j9cB-3g7sA:
13.66
2j9cC-3g7sA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6g BETAINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN

(Lactococcus
lactis) 		PF04069
(OpuAC) 		4 SER A 375
SER A 336
VAL A 374
SER A 332
 None
 1.28A 2j9cA-3l6gA:
undetectable
2j9cB-3l6gA:
undetectable
2j9cC-3l6gA:
undetectable		 2j9cA-3l6gA:
19.76
2j9cB-3l6gA:
19.76
2j9cC-3l6gA:
19.76
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.
3npf PUTATIVE
DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
ovatus) 		PF00877
(NLPC_P60) 		4 SER A  39
SER A 197
VAL A 130
LYS A 199
 None
 1.37A 2j9cA-3npfA:
undetectable
2j9cB-3npfA:
undetectable
2j9cC-3npfA:
undetectable		 2j9cA-3npfA:
19.08
2j9cB-3npfA:
19.08
2j9cC-3npfA:
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		4 SER A 172
LYS A 178
SER A 463
VAL A 173
 MDO  A 176 ( 3.7A)
MDO  A 176 ( 3.3A)
MDO  A 176 ( 4.8A)
MDO  A 176 ( 4.6A)
 1.23A 2j9cA-3nz4A:
undetectable
2j9cB-3nz4A:
undetectable
2j9cC-3nz4A:
undetectable		 2j9cA-3nz4A:
9.90
2j9cB-3nz4A:
9.90
2j9cC-3nz4A:
9.90
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.
3p83 RIBONUCLEASE HII

(Archaeoglobus
fulgidus) 		PF01351
(RNase_HII) 		4 SER D  38
LYS D  39
VAL D  35
SER D 139
 None
 1.45A 2j9cA-3p83D:
undetectable
2j9cB-3p83D:
undetectable
2j9cC-3p83D:
undetectable		 2j9cA-3p83D:
19.37
2j9cB-3p83D:
19.37
2j9cC-3p83D:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p83 RIBONUCLEASE HII

(Archaeoglobus
fulgidus) 		PF01351
(RNase_HII) 		4 SER D 139
VAL D 135
SER D  38
LYS D  39
 None
 1.27A 2j9cA-3p83D:
undetectable
2j9cB-3p83D:
undetectable
2j9cC-3p83D:
undetectable		 2j9cA-3p83D:
19.37
2j9cB-3p83D:
19.37
2j9cC-3p83D:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qo4 TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
21

(Homo sapiens) 		PF00020
(TNFR_c6) 		4 SER A 177
LYS A 187
SER A 181
VAL A 179
 None
 1.35A 2j9cA-3qo4A:
undetectable
2j9cB-3qo4A:
undetectable
2j9cC-3qo4A:
undetectable		 2j9cA-3qo4A:
19.89
2j9cB-3qo4A:
19.89
2j9cC-3qo4A:
19.89
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.
3qo4 TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
21

(Homo sapiens) 		PF00020
(TNFR_c6) 		4 SER A 181
VAL A 183
SER A 177
LYS A 187
 None
 1.30A 2j9cA-3qo4A:
undetectable
2j9cB-3qo4A:
undetectable
2j9cC-3qo4A:
undetectable		 2j9cA-3qo4A:
19.89
2j9cB-3qo4A:
19.89
2j9cC-3qo4A:
19.89
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.
3qvi HISTO-ASPARTIC
PROTEASE

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 SER A  42
LYS A  44
SER A  85
SER A  58
 SER  A  42 ( 0.0A)
LYS  A  44 ( 0.0A)
SER  A  85 ( 0.0A)
SER  A  58 ( 0.0A)
 1.11A 2j9cA-3qviA:
undetectable
2j9cB-3qviA:
undetectable
2j9cC-3qviA:
undetectable		 2j9cA-3qviA:
14.74
2j9cB-3qviA:
14.74
2j9cC-3qviA:
14.74
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.
3qvi HISTO-ASPARTIC
PROTEASE

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 SER A  85
SER A  58
SER A  42
LYS A  44
 SER  A  85 ( 0.0A)
SER  A  58 ( 0.0A)
SER  A  42 ( 0.0A)
LYS  A  44 ( 0.0A)
 1.15A 2j9cA-3qviA:
undetectable
2j9cB-3qviA:
undetectable
2j9cC-3qviA:
undetectable		 2j9cA-3qviA:
14.74
2j9cB-3qviA:
14.74
2j9cC-3qviA:
14.74
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		4 SER A 132
SER A 126
VAL A 124
SER A 130
 None
IOD  A 180 (-4.6A)
None
None
 1.47A 2j9cA-3s6lA:
undetectable
2j9cB-3s6lA:
undetectable
2j9cC-3s6lA:
undetectable		 2j9cA-3s6lA:
18.34
2j9cB-3s6lA:
18.34
2j9cC-3s6lA:
18.34
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.
3sqw ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 SER A 345
LYS A 501
SER A 475
VAL A 477
 None
 0.94A 2j9cA-3sqwA:
0.0
2j9cB-3sqwA:
undetectable
2j9cC-3sqwA:
undetectable		 2j9cA-3sqwA:
12.61
2j9cB-3sqwA:
12.61
2j9cC-3sqwA:
12.61
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 SER A 735
SER A 784
VAL A 782
LYS A 829
 None
 1.18A 2j9cA-3sunA:
3.4
2j9cB-3sunA:
3.6
2j9cC-3sunA:
2.9		 2j9cA-3sunA:
9.72
2j9cB-3sunA:
9.72
2j9cC-3sunA:
9.72
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.
3u3p TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
21

(Homo sapiens) 		PF00020
(TNFR_c6) 		4 SER A 177
LYS A 187
SER A 181
VAL A 179
 None
 1.41A 2j9cA-3u3pA:
undetectable
2j9cB-3u3pA:
undetectable
2j9cC-3u3pA:
undetectable		 2j9cA-3u3pA:
17.72
2j9cB-3u3pA:
17.72
2j9cC-3u3pA:
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.
3u3p TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
21

(Homo sapiens) 		PF00020
(TNFR_c6) 		4 SER A 181
VAL A 183
SER A 177
LYS A 187
 None
 1.30A 2j9cA-3u3pA:
undetectable
2j9cB-3u3pA:
undetectable
2j9cC-3u3pA:
undetectable		 2j9cA-3u3pA:
17.72
2j9cB-3u3pA:
17.72
2j9cC-3u3pA:
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.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 201
SER A 207
LYS A 210
LYS A 181
 ANK  A 401 (-3.6A)
None
ANK  A 401 (-3.0A)
ANK  A 401 (-2.5A)
 1.48A 2j9cA-3vn9A:
2.0
2j9cB-3vn9A:
undetectable
2j9cC-3vn9A:
2.0		 2j9cA-3vn9A:
18.13
2j9cB-3vn9A:
18.13
2j9cC-3vn9A:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 207
LYS A 210
LYS A 181
SER A 201
 None
ANK  A 401 (-3.0A)
ANK  A 401 (-2.5A)
ANK  A 401 (-3.6A)
 1.44A 2j9cA-3vn9A:
2.0
2j9cB-3vn9A:
undetectable
2j9cC-3vn9A:
2.0		 2j9cA-3vn9A:
18.13
2j9cB-3vn9A:
18.13
2j9cC-3vn9A:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4alq CHITIN BINDING
PROTEIN

(Enterococcus
faecalis) 		PF03067
(LPMO_10) 		4 LYS A 141
SER A 118
VAL A 175
SER A 144
 None
 1.30A 2j9cA-4alqA:
undetectable
2j9cB-4alqA:
undetectable
2j9cC-4alqA:
undetectable		 2j9cA-4alqA:
20.75
2j9cB-4alqA:
20.75
2j9cC-4alqA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gjp HAX3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 SER A 299
VAL A 295
LYS A 262
SER A 333
 None
 1.20A 2j9cA-4gjpA:
undetectable
2j9cB-4gjpA:
undetectable
2j9cC-4gjpA:
undetectable		 2j9cA-4gjpA:
14.23
2j9cB-4gjpA:
14.23
2j9cC-4gjpA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		4 SER A 213
SER A 169
VAL A 214
SER A 154
 None
 1.48A 2j9cA-4issA:
undetectable
2j9cB-4issA:
2.2
2j9cC-4issA:
0.3		 2j9cA-4issA:
12.58
2j9cB-4issA:
12.58
2j9cC-4issA:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		4 SER A   1
VAL A  26
SER A 119
LYS A 144
 None
 1.39A 2j9cA-4kpoA:
undetectable
2j9cB-4kpoA:
undetectable
2j9cC-4kpoA:
undetectable		 2j9cA-4kpoA:
15.81
2j9cB-4kpoA:
15.81
2j9cC-4kpoA:
15.81
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.
4pbc D-AMINO ACID
AMINOTRANSFERASE

(Burkholderia
cenocepacia) 		PF01063
(Aminotran_4) 		4 SER A 253
SER A 259
VAL A 255
LYS A 214
 None
 1.20A 2j9cA-4pbcA:
undetectable
2j9cB-4pbcA:
undetectable
2j9cC-4pbcA:
undetectable		 2j9cA-4pbcA:
16.46
2j9cB-4pbcA:
16.46
2j9cC-4pbcA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0k DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
thetaiotaomicron) 		PF00877
(NLPC_P60) 		4 SER A  39
SER A 197
VAL A 130
LYS A 199
 None
 1.37A 2j9cA-4r0kA:
undetectable
2j9cB-4r0kA:
undetectable
2j9cC-4r0kA:
undetectable		 2j9cA-4r0kA:
18.18
2j9cB-4r0kA:
18.18
2j9cC-4r0kA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlt (3R)-HYDROXYACYL-ACP
DEHYDRATASE SUBUNIT
HADB

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas) 		4 SER B 110
SER B 117
VAL B 111
SER B 138
 None
 1.38A 2j9cA-4rltB:
undetectable
2j9cB-4rltB:
undetectable
2j9cC-4rltB:
undetectable		 2j9cA-4rltB:
26.42
2j9cB-4rltB:
26.42
2j9cC-4rltB:
26.42
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.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 SER A 345
LYS A 501
SER A 475
VAL A 477
 None
 1.03A 2j9cA-4tz0A:
undetectable
2j9cB-4tz0A:
undetectable
2j9cC-4tz0A:
undetectable		 2j9cA-4tz0A:
13.75
2j9cB-4tz0A:
13.75
2j9cC-4tz0A:
13.75
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 LYS A  92
SER A  79
VAL A  72
SER A  95
 GOL  A 403 ( 4.6A)
None
None
None
 1.29A 2j9cA-4y4vA:
undetectable
2j9cB-4y4vA:
undetectable
2j9cC-4y4vA:
undetectable		 2j9cA-4y4vA:
16.72
2j9cB-4y4vA:
16.72
2j9cC-4y4vA:
16.72
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.
5bwy PLASMEPSIN-2

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 SER A  44
LYS A  46
SER A  87
SER A  60
 None
 1.13A 2j9cA-5bwyA:
undetectable
2j9cB-5bwyA:
undetectable
2j9cC-5bwyA:
undetectable		 2j9cA-5bwyA:
16.71
2j9cB-5bwyA:
16.71
2j9cC-5bwyA:
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.
5bwy PLASMEPSIN-2

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 SER A  60
SER A  44
LYS A  46
SER A  87
 None
 1.20A 2j9cA-5bwyA:
undetectable
2j9cB-5bwyA:
undetectable
2j9cC-5bwyA:
undetectable		 2j9cA-5bwyA:
16.71
2j9cB-5bwyA:
16.71
2j9cC-5bwyA:
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.
5bwy PLASMEPSIN-2

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 SER A  87
SER A  60
SER A  44
LYS A  46
 None
 1.19A 2j9cA-5bwyA:
undetectable
2j9cB-5bwyA:
undetectable
2j9cC-5bwyA:
undetectable		 2j9cA-5bwyA:
16.71
2j9cB-5bwyA:
16.71
2j9cC-5bwyA:
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.
5c69 FUSION GLYCOPROTEIN
F0,FIBRITIN

(Enterobacteria
phage Ox2;
Human
orthopneumovirus) 		PF00523
(Fusion_gly) 		4 SER A  55
VAL A 274
SER A 163
LYS A 149
 None
 1.07A 2j9cA-5c69A:
undetectable
2j9cB-5c69A:
undetectable
2j9cC-5c69A:
undetectable		 2j9cA-5c69A:
12.63
2j9cB-5c69A:
12.63
2j9cC-5c69A:
12.63
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.
5c69 FUSION GLYCOPROTEIN
F0,FIBRITIN

(Enterobacteria
phage Ox2;
Human
orthopneumovirus) 		PF00523
(Fusion_gly) 		4 SER A 163
LYS A 149
VAL A 165
SER A  55
 None
 1.15A 2j9cA-5c69A:
undetectable
2j9cB-5c69A:
undetectable
2j9cC-5c69A:
undetectable		 2j9cA-5c69A:
12.63
2j9cB-5c69A:
12.63
2j9cC-5c69A:
12.63
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.
5g4l OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Clostridium sp.) 		PF13561
(adh_short_C2) 		4 SER A 195
VAL A 178
SER A 157
LYS A 158
 None
 1.38A 2j9cA-5g4lA:
undetectable
2j9cB-5g4lA:
undetectable
2j9cC-5g4lA:
undetectable		 2j9cA-5g4lA:
16.84
2j9cB-5g4lA:
16.84
2j9cC-5g4lA:
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		4 SER A1376
LYS A1503
VAL A1374
SER A1411
 None
 1.39A 2j9cA-5hccA:
2.9
2j9cB-5hccA:
3.1
2j9cC-5hccA:
undetectable		 2j9cA-5hccA:
8.01
2j9cB-5hccA:
8.01
2j9cC-5hccA:
8.01
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 SER A 213
SER A 169
VAL A 214
SER A 154
 None
 1.49A 2j9cA-5i8iA:
0.0
2j9cB-5i8iA:
1.3
2j9cC-5i8iA:
0.3		 2j9cA-5i8iA:
5.24
2j9cB-5i8iA:
5.24
2j9cC-5i8iA:
5.24
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		4 LYS M 237
SER M 289
VAL M 291
SER M 323
 None
 1.34A 2j9cA-5lc5M:
undetectable
2j9cB-5lc5M:
undetectable
2j9cC-5lc5M:
undetectable		 2j9cA-5lc5M:
13.04
2j9cB-5lc5M:
13.04
2j9cC-5lc5M:
13.04
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 4 SER A  46
LYS A  48
SER A  89
SER A  62
 None
 1.25A 2j9cA-5n7qA:
undetectable
2j9cB-5n7qA:
1.2
2j9cC-5n7qA:
undetectable		 2j9cA-5n7qA:
undetectable
2j9cB-5n7qA:
undetectable
2j9cC-5n7qA:
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 4 SER A  89
SER A  62
SER A  46
LYS A  48
 None
 1.33A 2j9cA-5n7qA:
undetectable
2j9cB-5n7qA:
1.2
2j9cC-5n7qA:
undetectable		 2j9cA-5n7qA:
undetectable
2j9cB-5n7qA:
undetectable
2j9cC-5n7qA:
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.
5wj8 CADHERIN-23

(Homo sapiens) 		no annotation 4 SER A1477
LYS A1485
SER A1434
VAL A1432
 None
 1.48A 2j9cA-5wj8A:
undetectable
2j9cB-5wj8A:
undetectable
2j9cC-5wj8A:
undetectable		 2j9cA-5wj8A:
undetectable
2j9cB-5wj8A:
undetectable
2j9cC-5wj8A:
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.
5xcc PROBABLE SURFACE
PROTEIN

(Clostridium
perfringens) 		no annotation 4 SER A 325
SER A 140
VAL A 322
SER A 143
 None
 1.35A 2j9cA-5xccA:
2.8
2j9cB-5xccA:
1.7
2j9cC-5xccA:
2.3		 2j9cA-5xccA:
undetectable
2j9cB-5xccA:
undetectable
2j9cC-5xccA:
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.
5xvu CASEIN KINASE 2,
ALPHA SUBUNIT

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 VAL A  77
LYS A  81
SER A  55
LYS A  72
 None
ATP  A 403 (-3.4A)
ATP  A 403 (-2.8A)
ATP  A 403 (-3.2A)
 1.46A 2j9cA-5xvuA:
0.0
2j9cB-5xvuA:
undetectable
2j9cC-5xvuA:
undetectable		 2j9cA-5xvuA:
17.16
2j9cB-5xvuA:
17.16
2j9cC-5xvuA:
17.16
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.
6b2b MONOBODY

(Homo sapiens) 		no annotation 4 SER C   4
SER C  79
VAL C  28
SER C  85
 None
 1.31A 2j9cA-6b2bC:
undetectable
2j9cB-6b2bC:
undetectable
2j9cC-6b2bC:
undetectable		 2j9cA-6b2bC:
27.72
2j9cB-6b2bC:
27.72
2j9cC-6b2bC:
27.72
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.
6g3u -

(-) 		no annotation 4 VAL A  91
LYS A  95
SER A 299
LYS A 303
 None
 1.49A 2j9cA-6g3uA:
undetectable
2j9cB-6g3uA:
undetectable
2j9cC-6g3uA:
undetectable		 2j9cA-6g3uA:
undetectable
2j9cB-6g3uA:
undetectable
2j9cC-6g3uA:
undetectable