SIMILAR PATTERNS OF AMINO ACIDS FOR 4P65_I_IPHI101

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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 VAL A 139
LEU A 182
CYH A 166
LEU A 165
ALA A 161
 None
 0.98A 4p65B-1a27A:
undetectable
4p65D-1a27A:
undetectable
4p65I-1a27A:
undetectable
4p65J-1a27A:
undetectable		 4p65B-1a27A:
7.17
4p65D-1a27A:
7.17
4p65I-1a27A:
5.42
4p65J-1a27A:
7.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bd8 P19INK4D CDK4/6
INHIBITOR

(Homo sapiens) 		PF12796
(Ank_2) 		5 VAL A  24
LEU A  12
LEU A  46
ILE A  56
ALA A  65
 None
 1.01A 4p65B-1bd8A:
undetectable
4p65D-1bd8A:
undetectable
4p65I-1bd8A:
undetectable
4p65J-1bd8A:
undetectable		 4p65B-1bd8A:
10.96
4p65D-1bd8A:
10.96
4p65I-1bd8A:
6.94
4p65J-1bd8A:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1esc ESTERASE

(Streptomyces
scabiei) 		PF13472
(Lipase_GDSL_2) 		5 VAL A 161
LEU A 169
ILE A  69
LEU A 183
ALA A 235
 None
 0.96A 4p65B-1escA:
undetectable
4p65D-1escA:
undetectable
4p65I-1escA:
undetectable
4p65J-1escA:
undetectable		 4p65B-1escA:
12.24
4p65D-1escA:
12.24
4p65I-1escA:
5.59
4p65J-1escA:
12.24
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.
1gzk RAC-BETA
SERINE/THREONINE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 VAL A 246
CYH A 345
LEU A 381
LEU A 373
ALA A 377
 None
 1.01A 4p65B-1gzkA:
undetectable
4p65D-1gzkA:
undetectable
4p65I-1gzkA:
undetectable
4p65J-1gzkA:
undetectable		 4p65B-1gzkA:
10.13
4p65D-1gzkA:
10.13
4p65I-1gzkA:
7.94
4p65J-1gzkA:
10.13
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.
1i7k UBIQUITIN-CONJUGATIN
G ENZYME E2 H10

(Homo sapiens) 		PF00179
(UQ_con) 		5 LEU A  35
LEU A  42
LEU A 132
LEU A  83
ALA A  52
 None
 1.01A 4p65B-1i7kA:
undetectable
4p65D-1i7kA:
undetectable
4p65I-1i7kA:
undetectable
4p65J-1i7kA:
undetectable		 4p65B-1i7kA:
9.47
4p65D-1i7kA:
9.47
4p65I-1i7kA:
8.06
4p65J-1i7kA:
9.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK

(Rattus
norvegicus) 		PF07714
(Pkinase_Tyr) 		5 LEU A 791
LEU A 855
CYH A 698
LEU A 702
ALA A 705
 None
 0.96A 4p65B-1lufA:
undetectable
4p65D-1lufA:
undetectable
4p65I-1lufA:
undetectable
4p65J-1lufA:
undetectable		 4p65B-1lufA:
6.34
4p65D-1lufA:
6.34
4p65I-1lufA:
4.47
4p65J-1lufA:
6.34
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.
1mj0 SANK E3_5 PROTEIN

(-) 		PF12796
(Ank_2) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 0.98A 4p65B-1mj0A:
undetectable
4p65D-1mj0A:
undetectable
4p65I-1mj0A:
undetectable
4p65J-1mj0A:
undetectable		 4p65B-1mj0A:
13.51
4p65D-1mj0A:
13.51
4p65I-1mj0A:
11.01
4p65J-1mj0A:
13.51
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.
1mj0 SANK E3_5 PROTEIN

(-) 		PF12796
(Ank_2) 		5 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 1.02A 4p65B-1mj0A:
undetectable
4p65D-1mj0A:
undetectable
4p65I-1mj0A:
undetectable
4p65J-1mj0A:
undetectable		 4p65B-1mj0A:
13.51
4p65D-1mj0A:
13.51
4p65I-1mj0A:
11.01
4p65J-1mj0A:
13.51
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.
1nfi I-KAPPA-B-ALPHA

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		6 VAL E 160
LEU E 148
LEU E 187
ILE E 198
LEU E 205
ALA E 207
 None
 1.06A 4p65B-1nfiE:
undetectable
4p65D-1nfiE:
undetectable
4p65I-1nfiE:
undetectable
4p65J-1nfiE:
undetectable		 4p65B-1nfiE:
11.76
4p65D-1nfiE:
11.76
4p65I-1nfiE:
7.77
4p65J-1nfiE:
11.76
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.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 LEU A 283
ILE A 150
LEU A 156
LEU A 317
ALA A 316
 None
 0.98A 4p65B-1qe0A:
undetectable
4p65D-1qe0A:
undetectable
4p65I-1qe0A:
undetectable
4p65J-1qe0A:
undetectable		 4p65B-1qe0A:
6.37
4p65D-1qe0A:
6.37
4p65I-1qe0A:
3.10
4p65J-1qe0A:
6.37
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.
1qlc POSTSYNAPTIC DENSITY
PROTEIN 95

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 VAL A 215
LEU A 206
ILE A 212
LEU A 170
ALA A 200
 None
 1.00A 4p65B-1qlcA:
undetectable
4p65D-1qlcA:
undetectable
4p65I-1qlcA:
undetectable
4p65J-1qlcA:
undetectable		 4p65B-1qlcA:
20.51
4p65D-1qlcA:
20.51
4p65I-1qlcA:
15.07
4p65J-1qlcA:
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.
1svx ANKYRIN REPEAT
PROTEIN OFF7

(-) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 0.95A 4p65B-1svxA:
undetectable
4p65D-1svxA:
undetectable
4p65I-1svxA:
undetectable
4p65J-1svxA:
undetectable		 4p65B-1svxA:
12.00
4p65D-1svxA:
12.00
4p65I-1svxA:
6.59
4p65J-1svxA:
12.00
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.
1svx ANKYRIN REPEAT
PROTEIN OFF7

(-) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 1.01A 4p65B-1svxA:
undetectable
4p65D-1svxA:
undetectable
4p65I-1svxA:
undetectable
4p65J-1svxA:
undetectable		 4p65B-1svxA:
12.00
4p65D-1svxA:
12.00
4p65I-1svxA:
6.59
4p65J-1svxA:
12.00
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.
1ttw SECRETION CHAPERONE

(Yersinia pestis) 		PF05932
(CesT) 		5 LEU A  57
CYH A  81
LEU A  91
LEU A 119
ALA A  54
 None
 0.93A 4p65B-1ttwA:
undetectable
4p65D-1ttwA:
undetectable
4p65I-1ttwA:
undetectable
4p65J-1ttwA:
undetectable		 4p65B-1ttwA:
15.05
4p65D-1ttwA:
15.05
4p65I-1ttwA:
9.35
4p65J-1ttwA:
15.05
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 VAL A 421
LEU A 561
LEU A 586
LEU A 429
ALA A 554
 None
 0.94A 4p65B-2b8eA:
undetectable
4p65D-2b8eA:
undetectable
4p65I-2b8eA:
undetectable
4p65J-2b8eA:
undetectable		 4p65B-2b8eA:
8.13
4p65D-2b8eA:
8.13
4p65I-2b8eA:
8.70
4p65J-2b8eA:
8.13
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.
2bkg SYNTHETIC CONSTRUCT
ANKYRIN REPEAT
PROTEIN E3_19

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 1.00A 4p65B-2bkgA:
undetectable
4p65D-2bkgA:
undetectable
4p65I-2bkgA:
undetectable
4p65J-2bkgA:
undetectable		 4p65B-2bkgA:
12.00
4p65D-2bkgA:
12.00
4p65I-2bkgA:
10.91
4p65J-2bkgA:
12.00
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.
2dul N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF02005
(TRM) 		5 VAL A 162
LEU A 137
LEU A 233
LEU A 151
ALA A 154
 None
 0.86A 4p65B-2dulA:
undetectable
4p65D-2dulA:
undetectable
4p65I-2dulA:
undetectable
4p65J-2dulA:
undetectable		 4p65B-2dulA:
6.12
4p65D-2dulA:
6.12
4p65I-2dulA:
4.18
4p65J-2dulA:
6.12
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		5 LEU A 287
LEU A  47
CYH A  38
LEU A  42
ALA A  45
 None
 1.02A 4p65B-2efjA:
undetectable
4p65D-2efjA:
undetectable
4p65I-2efjA:
undetectable
4p65J-2efjA:
undetectable		 4p65B-2efjA:
6.16
4p65D-2efjA:
6.16
4p65I-2efjA:
6.36
4p65J-2efjA:
6.16
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 LEU A 180
ILE A 264
LEU A 214
LEU A 234
ALA A 182
 None
 1.02A 4p65B-2gouA:
undetectable
4p65D-2gouA:
undetectable
4p65I-2gouA:
undetectable
4p65J-2gouA:
undetectable		 4p65B-2gouA:
10.14
4p65D-2gouA:
10.14
4p65I-2gouA:
4.52
4p65J-2gouA:
10.14
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.
2i10 PUTATIVE TETR
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 LEU A  56
ILE A  32
LEU A  39
LEU A  21
ALA A  18
 None
 0.98A 4p65B-2i10A:
undetectable
4p65D-2i10A:
undetectable
4p65I-2i10A:
undetectable
4p65J-2i10A:
undetectable		 4p65B-2i10A:
10.29
4p65D-2i10A:
10.29
4p65I-2i10A:
12.96
4p65J-2i10A:
10.29
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.
2qt5 GLUTAMATE
RECEPTOR-INTERACTING
PROTEIN 1

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 VAL A 185
LEU A 223
ILE A 182
LEU A 232
LEU A 155
 None
EDO  A   1 ( 4.3A)
None
None
None
 1.02A 4p65B-2qt5A:
undetectable
4p65D-2qt5A:
undetectable
4p65I-2qt5A:
undetectable
4p65J-2qt5A:
undetectable		 4p65B-2qt5A:
9.24
4p65D-2qt5A:
9.24
4p65I-2qt5A:
9.85
4p65J-2qt5A:
9.24
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.
2v5q DESIGN ANKYRIN
REPEAT PROTEIN

(unidentified) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 VAL C  30
LEU C  18
LEU C  51
ILE C  62
ALA C  71
 None
 1.01A 4p65B-2v5qC:
undetectable
4p65D-2v5qC:
undetectable
4p65I-2v5qC:
undetectable
4p65J-2v5qC:
undetectable		 4p65B-2v5qC:
13.51
4p65D-2v5qC:
13.51
4p65I-2v5qC:
6.67
4p65J-2v5qC:
13.51
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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 VAL I 421
LEU I 561
LEU I 586
LEU I 429
ALA I 554
 None
 0.94A 4p65B-2voyI:
undetectable
4p65D-2voyI:
undetectable
4p65I-2voyI:
undetectable
4p65J-2voyI:
undetectable		 4p65B-2voyI:
15.15
4p65D-2voyI:
15.15
4p65I-2voyI:
9.89
4p65J-2voyI:
15.15
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.
2w2g NON-STRUCTURAL
PROTEIN 3

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF11633
(SUD-M) 		5 LEU A 412
LEU A 421
ILE A 454
LEU A 437
ALA A 415
 None
 1.01A 4p65B-2w2gA:
undetectable
4p65D-2w2gA:
undetectable
4p65I-2w2gA:
undetectable
4p65J-2w2gA:
undetectable		 4p65B-2w2gA:
7.48
4p65D-2w2gA:
7.48
4p65I-2w2gA:
5.66
4p65J-2w2gA:
7.48
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.
2xzd DARPIN-3.4

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL G  30
LEU G  18
LEU G  51
ILE G  62
ALA G  71
 None
 0.96A 4p65B-2xzdG:
undetectable
4p65D-2xzdG:
undetectable
4p65I-2xzdG:
undetectable
4p65J-2xzdG:
undetectable		 4p65B-2xzdG:
14.53
4p65D-2xzdG:
14.53
4p65I-2xzdG:
7.46
4p65J-2xzdG:
14.53
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.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 VAL A   5
LEU A 288
ILE A  67
LEU A 297
ALA A 293
 None
 1.00A 4p65B-2yw2A:
undetectable
4p65D-2yw2A:
undetectable
4p65I-2yw2A:
undetectable
4p65J-2yw2A:
undetectable		 4p65B-2yw2A:
5.26
4p65D-2yw2A:
5.26
4p65I-2yw2A:
4.58
4p65J-2yw2A:
5.26
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.
3c5r BRCA1-ASSOCIATED
RING DOMAIN PROTEIN
1

(Homo sapiens) 		PF12796
(Ank_2) 		5 VAL A 477
LEU A 465
LEU A 498
ILE A 509
ALA A 518
 None
 1.01A 4p65B-3c5rA:
undetectable
4p65D-3c5rA:
undetectable
4p65I-3c5rA:
undetectable
4p65J-3c5rA:
undetectable		 4p65B-3c5rA:
14.29
4p65D-3c5rA:
14.29
4p65I-3c5rA:
17.11
4p65J-3c5rA:
14.29
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.
3cit SENSOR HISTIDINE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 LEU A 155
LEU A 148
LEU A 131
LEU A  51
ALA A  54
 None
 0.90A 4p65B-3citA:
undetectable
4p65D-3citA:
undetectable
4p65I-3citA:
undetectable
4p65J-3citA:
undetectable		 4p65B-3citA:
14.41
4p65D-3citA:
14.41
4p65I-3citA:
11.90
4p65J-3citA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		5 LEU A  75
ILE A 268
LEU A 237
LEU A 259
ALA A  94
 None
 0.99A 4p65B-3cq5A:
undetectable
4p65D-3cq5A:
undetectable
4p65I-3cq5A:
undetectable
4p65J-3cq5A:
undetectable		 4p65B-3cq5A:
9.39
4p65D-3cq5A:
9.39
4p65I-3cq5A:
5.69
4p65J-3cq5A:
9.39
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.
3f4b ENOYL-ACYL CARRIER
PROTEIN REDUCTASE

(Plasmodium
berghei) 		PF13561
(adh_short_C2) 		5 VAL A 183
ILE A 187
LEU A 197
HIS A 236
LEU A 233
 None
 1.00A 4p65B-3f4bA:
undetectable
4p65D-3f4bA:
undetectable
4p65I-3f4bA:
undetectable
4p65J-3f4bA:
undetectable		 4p65B-3f4bA:
8.15
4p65D-3f4bA:
8.15
4p65I-3f4bA:
6.29
4p65J-3f4bA:
8.15
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.
3nfv ALGINATE LYASE

(Bacteroides
ovatus) 		PF05426
(Alginate_lyase) 		5 LEU A 304
ILE A 297
LEU A 332
LEU A 365
ALA A 368
 None
 1.01A 4p65B-3nfvA:
undetectable
4p65D-3nfvA:
undetectable
4p65I-3nfvA:
undetectable
4p65J-3nfvA:
undetectable		 4p65B-3nfvA:
9.38
4p65D-3nfvA:
9.38
4p65I-3nfvA:
4.03
4p65J-3nfvA:
9.38
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.
3og9 PROTEIN YAHD A
COPPER INDUCIBLE
HYDROLASE

(Lactococcus
lactis) 		PF01738
(DLH) 		5 VAL A 160
LEU A 151
LEU A 114
HIS A 131
ALA A 129
 None
 0.98A 4p65B-3og9A:
undetectable
4p65D-3og9A:
undetectable
4p65I-3og9A:
undetectable
4p65J-3og9A:
undetectable		 4p65B-3og9A:
9.60
4p65D-3og9A:
9.60
4p65I-3og9A:
5.77
4p65J-3og9A:
9.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 VAL B 423
LEU B 424
LEU B 431
LEU B 332
ALA B 314
 None
 0.97A 4p65B-3pdiB:
undetectable
4p65D-3pdiB:
undetectable
4p65I-3pdiB:
undetectable
4p65J-3pdiB:
undetectable		 4p65B-3pdiB:
6.50
4p65D-3pdiB:
6.50
4p65I-3pdiB:
7.61
4p65J-3pdiB:
6.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9n CONSENSUS ANKYRIN
REPEAT

(Escherichia
coli) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 VAL C  18
LEU C   6
LEU C  39
ILE C  50
ALA C  59
 None
 1.00A 4p65B-3q9nC:
undetectable
4p65D-3q9nC:
undetectable
4p65I-3q9nC:
undetectable
4p65J-3q9nC:
undetectable		 4p65B-3q9nC:
11.35
4p65D-3q9nC:
11.35
4p65I-3q9nC:
8.97
4p65J-3q9nC:
11.35
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.
3q9n CONSENSUS ANKYRIN
REPEAT

(Escherichia
coli) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 VAL C  84
LEU C  72
LEU C 105
ILE C 116
ALA C 125
 None
 1.01A 4p65B-3q9nC:
undetectable
4p65D-3q9nC:
undetectable
4p65I-3q9nC:
undetectable
4p65J-3q9nC:
undetectable		 4p65B-3q9nC:
11.35
4p65D-3q9nC:
11.35
4p65I-3q9nC:
8.97
4p65J-3q9nC:
11.35
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.
3sdi PROTEASOME COMPONENT
PRE5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 HIS E  73
LEU E 107
CYH E  70
LEU E  92
ALA E 112
 None
 0.90A 4p65B-3sdiE:
undetectable
4p65D-3sdiE:
undetectable
4p65I-3sdiE:
undetectable
4p65J-3sdiE:
undetectable		 4p65B-3sdiE:
9.91
4p65D-3sdiE:
9.91
4p65I-3sdiE:
13.95
4p65J-3sdiE:
9.91
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.
3ts9 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		no annotation 5 LEU A 117
LEU A  86
ILE A  17
HIS A  63
LEU A  64
 None
 0.99A 4p65B-3ts9A:
undetectable
4p65D-3ts9A:
undetectable
4p65I-3ts9A:
undetectable
4p65J-3ts9A:
undetectable		 4p65B-3ts9A:
19.75
4p65D-3ts9A:
19.75
4p65I-3ts9A:
6.57
4p65J-3ts9A:
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.
3ttg PUTATIVE
AMINOMETHYLTRANSFERA
SE

(Leptospirillum
rubarum) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		6 LEU A 331
LEU A 227
ILE A 209
LEU A 216
HIS A 159
ALA A 225
 None
 1.47A 4p65B-3ttgA:
undetectable
4p65D-3ttgA:
undetectable
4p65I-3ttgA:
undetectable
4p65J-3ttgA:
undetectable		 4p65B-3ttgA:
8.20
4p65D-3ttgA:
8.20
4p65I-3ttgA:
5.90
4p65J-3ttgA:
8.20
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 VAL A 321
LEU A 317
ILE A 260
LEU A 142
LEU A 277
ALA A 273
 None
 1.17A 4p65B-3tz6A:
undetectable
4p65D-3tz6A:
undetectable
4p65I-3tz6A:
undetectable
4p65J-3tz6A:
undetectable		 4p65B-3tz6A:
7.47
4p65D-3tz6A:
7.47
4p65I-3tz6A:
6.54
4p65J-3tz6A:
7.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu7 DESIGNED ANKYRIN
REPEAT PROTEIN

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL B  30
LEU B  18
LEU B  51
ILE B  62
ALA B  71
 None
 1.02A 4p65B-3zu7B:
undetectable
4p65D-3zu7B:
undetectable
4p65I-3zu7B:
undetectable
4p65J-3zu7B:
undetectable		 4p65B-3zu7B:
13.51
4p65D-3zu7B:
13.51
4p65I-3zu7B:
5.99
4p65J-3zu7B:
13.51
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.
3zuv DESIGNED ANKYRIN
REPEAT PROTEIN

(synthetic
construct) 		PF13857
(Ank_5) 		5 VAL B  30
LEU B  18
LEU B  51
ILE B  62
ALA B  71
 None
 1.02A 4p65B-3zuvB:
undetectable
4p65D-3zuvB:
undetectable
4p65I-3zuvB:
undetectable
4p65J-3zuvB:
undetectable		 4p65B-3zuvB:
13.08
4p65D-3zuvB:
13.08
4p65I-3zuvB:
7.46
4p65J-3zuvB:
13.08
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.
4atz DESIGNED ANKYRIN
REPEAT PROTEIN

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL D  30
LEU D  18
LEU D  51
ILE D  62
ALA D  71
 None
 1.01A 4p65B-4atzD:
undetectable
4p65D-4atzD:
undetectable
4p65I-4atzD:
undetectable
4p65J-4atzD:
undetectable		 4p65B-4atzD:
13.04
4p65D-4atzD:
13.04
4p65I-4atzD:
9.84
4p65J-4atzD:
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 VAL A 217
LEU A 265
HIS A 200
LEU A 201
ALA A 204
 None
 0.86A 4p65B-4avoA:
undetectable
4p65D-4avoA:
undetectable
4p65I-4avoA:
undetectable
4p65J-4avoA:
undetectable		 4p65B-4avoA:
5.56
4p65D-4avoA:
5.56
4p65I-4avoA:
3.96
4p65J-4avoA:
5.56
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 VAL A 323
LEU A 227
ILE A 321
LEU A 242
ALA A 238
 None
 1.02A 4p65B-4cnkA:
undetectable
4p65D-4cnkA:
undetectable
4p65I-4cnkA:
undetectable
4p65J-4cnkA:
undetectable		 4p65B-4cnkA:
7.78
4p65D-4cnkA:
7.78
4p65I-4cnkA:
5.79
4p65J-4cnkA:
7.78
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.
4exb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00248
(Aldo_ket_red) 		5 LEU A 256
ILE A 251
LEU A  25
LEU A  54
ALA A  57
 None
 0.81A 4p65B-4exbA:
undetectable
4p65D-4exbA:
undetectable
4p65I-4exbA:
undetectable
4p65J-4exbA:
undetectable		 4p65B-4exbA:
7.35
4p65D-4exbA:
7.35
4p65I-4exbA:
8.48
4p65J-4exbA:
7.35
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.
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes aegypti) 		PF00583
(Acetyltransf_1) 		5 VAL A  22
HIS A  25
LEU A  26
ILE A  75
LEU A 151
 None
 0.89A 4p65B-4fd6A:
undetectable
4p65D-4fd6A:
undetectable
4p65I-4fd6A:
undetectable
4p65J-4fd6A:
undetectable		 4p65B-4fd6A:
9.95
4p65D-4fd6A:
9.95
4p65I-4fd6A:
7.21
4p65J-4fd6A:
9.95
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.
4gl2 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 LEU A 676
LEU A 626
ILE A 557
HIS A 603
LEU A 604
 None
 0.79A 4p65B-4gl2A:
undetectable
4p65D-4gl2A:
undetectable
4p65I-4gl2A:
undetectable
4p65J-4gl2A:
undetectable		 4p65B-4gl2A:
4.67
4p65D-4gl2A:
4.67
4p65I-4gl2A:
3.31
4p65J-4gl2A:
4.67
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.
4hb5 ENGINEERED PROTEIN

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL A  20
LEU A   8
LEU A  41
ILE A  52
ALA A  61
 None
 1.02A 4p65B-4hb5A:
undetectable
4p65D-4hb5A:
undetectable
4p65I-4hb5A:
undetectable
4p65J-4hb5A:
undetectable		 4p65B-4hb5A:
11.11
4p65D-4hb5A:
11.11
4p65I-4hb5A:
7.94
4p65J-4hb5A:
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.
4hrl DESIGNED ANKYRIN
REPEAT PROTEIN 9_29

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL A  95
LEU A  83
LEU A 116
ILE A 127
ALA A 136
 None
 1.02A 4p65B-4hrlA:
undetectable
4p65D-4hrlA:
undetectable
4p65I-4hrlA:
undetectable
4p65J-4hrlA:
undetectable		 4p65B-4hrlA:
11.73
4p65D-4hrlA:
11.73
4p65I-4hrlA:
5.33
4p65J-4hrlA:
11.73
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.
4i1s MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Sus scrofa) 		PF00271
(Helicase_C) 		5 LEU A 673
LEU A 625
ILE A 556
HIS A 602
LEU A 603
 None
 1.00A 4p65B-4i1sA:
undetectable
4p65D-4i1sA:
undetectable
4p65I-4i1sA:
undetectable
4p65J-4i1sA:
undetectable		 4p65B-4i1sA:
7.92
4p65D-4i1sA:
7.92
4p65I-4i1sA:
5.13
4p65J-4i1sA:
7.92
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.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 LEU A  23
ILE A  67
LEU A 180
HIS A  18
ALA A 178
 None
 0.96A 4p65B-4jzyA:
undetectable
4p65D-4jzyA:
undetectable
4p65I-4jzyA:
undetectable
4p65J-4jzyA:
undetectable		 4p65B-4jzyA:
6.74
4p65D-4jzyA:
6.74
4p65I-4jzyA:
4.71
4p65J-4jzyA:
6.74
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.
4k5a DESIGNED ANKYRIN
REPEAT PROTEIN
013_D12

(Escherichia
coli) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 VAL B  30
LEU B  18
LEU B  51
ILE B  62
ALA B  71
 None
 1.02A 4p65B-4k5aB:
undetectable
4p65D-4k5aB:
undetectable
4p65I-4k5aB:
undetectable
4p65J-4k5aB:
undetectable		 4p65B-4k5aB:
11.24
4p65D-4k5aB:
11.24
4p65I-4k5aB:
7.14
4p65J-4k5aB:
11.24
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.
4k5b APOPTOSIS REGULATOR
BCL-W

(Escherichia
coli) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 1.02A 4p65B-4k5bA:
undetectable
4p65D-4k5bA:
undetectable
4p65I-4k5bA:
undetectable
4p65J-4k5bA:
undetectable		 4p65B-4k5bA:
10.65
4p65D-4k5bA:
10.65
4p65I-4k5bA:
7.14
4p65J-4k5bA:
10.65
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.
4k5b APOPTOSIS REGULATOR
BCL-W

(Escherichia
coli) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 1.02A 4p65B-4k5bA:
undetectable
4p65D-4k5bA:
undetectable
4p65I-4k5bA:
undetectable
4p65J-4k5bA:
undetectable		 4p65B-4k5bA:
10.65
4p65D-4k5bA:
10.65
4p65I-4k5bA:
7.14
4p65J-4k5bA:
10.65
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.
4k5c LOOP DESIGNED
ANKYRIN REPEAT
PROTEIN NRAN1_G06_C

(Escherichia
coli) 		PF12796
(Ank_2) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 1.02A 4p65B-4k5cA:
undetectable
4p65D-4k5cA:
undetectable
4p65I-4k5cA:
undetectable
4p65J-4k5cA:
undetectable		 4p65B-4k5cA:
10.33
4p65D-4k5cA:
10.33
4p65I-4k5cA:
7.14
4p65J-4k5cA:
10.33
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.
4k5c LOOP DESIGNED
ANKYRIN REPEAT
PROTEIN NRAN1_G06_C

(Escherichia
coli) 		PF12796
(Ank_2) 		5 VAL A 110
LEU A  98
LEU A 131
ILE A 142
ALA A 151
 None
 1.01A 4p65B-4k5cA:
undetectable
4p65D-4k5cA:
undetectable
4p65I-4k5cA:
undetectable
4p65J-4k5cA:
undetectable		 4p65B-4k5cA:
10.33
4p65D-4k5cA:
10.33
4p65I-4k5cA:
7.14
4p65J-4k5cA:
10.33
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.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		5 ILE A 123
LEU A 270
HIS A 263
LEU A 267
ALA A 266
 None
 0.93A 4p65B-4lisA:
undetectable
4p65D-4lisA:
undetectable
4p65I-4lisA:
undetectable
4p65J-4lisA:
undetectable		 4p65B-4lisA:
5.43
4p65D-4lisA:
5.43
4p65I-4lisA:
3.26
4p65J-4lisA:
5.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lsz DARPIN D7.18

(synthetic
construct) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 VAL E  30
LEU E  18
LEU E  51
ILE E  62
ALA E  71
 None
 0.99A 4p65B-4lszE:
undetectable
4p65D-4lszE:
undetectable
4p65I-4lszE:
undetectable
4p65J-4lszE:
undetectable		 4p65B-4lszE:
15.45
4p65D-4lszE:
15.45
4p65I-4lszE:
7.78
4p65J-4lszE:
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.
4lsz DARPIN D7.18

(synthetic
construct) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 VAL E  96
LEU E  84
LEU E 117
ILE E 128
ALA E 137
 None
 1.02A 4p65B-4lszE:
undetectable
4p65D-4lszE:
undetectable
4p65I-4lszE:
undetectable
4p65J-4lszE:
undetectable		 4p65B-4lszE:
15.45
4p65D-4lszE:
15.45
4p65I-4lszE:
7.78
4p65J-4lszE:
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.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		5 LEU A 325
LEU A 249
LEU A 230
LEU A 254
ALA A 251
 None
 0.83A 4p65B-4nphA:
undetectable
4p65D-4nphA:
undetectable
4p65I-4nphA:
undetectable
4p65J-4nphA:
undetectable		 4p65B-4nphA:
8.98
4p65D-4nphA:
8.98
4p65I-4nphA:
5.99
4p65J-4nphA:
8.98
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.
4pph CONGLUTIN GAMMA

(Lupinus
angustifolius) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 VAL A 189
LEU A 191
ILE A 201
LEU A 164
HIS A  28
 None
 1.00A 4p65B-4pphA:
undetectable
4p65D-4pphA:
undetectable
4p65I-4pphA:
undetectable
4p65J-4pphA:
undetectable		 4p65B-4pphA:
9.96
4p65D-4pphA:
9.96
4p65I-4pphA:
4.42
4p65J-4pphA:
9.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppz SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Neisseria
meningitidis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 252
LEU A 277
LEU A 216
LEU A 213
ALA A 212
 None
 0.99A 4p65B-4ppzA:
undetectable
4p65D-4ppzA:
undetectable
4p65I-4ppzA:
undetectable
4p65J-4ppzA:
undetectable		 4p65B-4ppzA:
7.89
4p65D-4ppzA:
7.89
4p65I-4ppzA:
4.92
4p65J-4ppzA:
7.89
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.
4rld ASPARTIC PROTEASE
BLA G 2

(Blattella
germanica) 		PF00026
(Asp) 		5 VAL A  30
LEU A 115
LEU A  53
LEU A 107
ALA A  49
 None
 1.02A 4p65B-4rldA:
undetectable
4p65D-4rldA:
undetectable
4p65I-4rldA:
undetectable
4p65J-4rldA:
undetectable		 4p65B-4rldA:
9.95
4p65D-4rldA:
9.95
4p65I-4rldA:
5.36
4p65J-4rldA:
9.95
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.
4zfh ARTIFICIAL ANKYRIN
REPEAT
PROTEIN_ANK(GAG)1D4
MUTANT -Y56A

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 1.03A 4p65B-4zfhA:
undetectable
4p65D-4zfhA:
undetectable
4p65I-4zfhA:
undetectable
4p65J-4zfhA:
undetectable		 4p65B-4zfhA:
12.41
4p65D-4zfhA:
12.41
4p65I-4zfhA:
8.65
4p65J-4zfhA:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 0.98A 4p65B-5aqaA:
undetectable
4p65D-5aqaA:
undetectable
4p65I-5aqaA:
undetectable
4p65J-5aqaA:
undetectable		 4p65B-5aqaA:
5.76
4p65D-5aqaA:
5.76
4p65I-5aqaA:
3.23
4p65J-5aqaA:
5.76
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		5 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 1.02A 4p65B-5aqaA:
undetectable
4p65D-5aqaA:
undetectable
4p65I-5aqaA:
undetectable
4p65J-5aqaA:
undetectable		 4p65B-5aqaA:
5.76
4p65D-5aqaA:
5.76
4p65I-5aqaA:
3.23
4p65J-5aqaA:
5.76
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.
5cbn MBP3-16,IMMUNOGLOBUL
IN G-BINDING PROTEIN
A

(Staphylococcus
aureus;
synthetic
construct) 		PF02216
(B)
PF12796
(Ank_2) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 1.00A 4p65B-5cbnA:
undetectable
4p65D-5cbnA:
undetectable
4p65I-5cbnA:
undetectable
4p65J-5cbnA:
undetectable		 4p65B-5cbnA:
10.91
4p65D-5cbnA:
10.91
4p65I-5cbnA:
12.50
4p65J-5cbnA:
10.91
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.
5ckm MANNAN-BINDING
LECTIN SERINE
PEPTIDASE 2

(Rattus
norvegicus) 		PF00431
(CUB)
PF07645
(EGF_CA) 		5 VAL A  58
LEU A  70
LEU A  67
LEU A  94
LEU A  40
 None
 1.00A 4p65B-5ckmA:
undetectable
4p65D-5ckmA:
undetectable
4p65I-5ckmA:
undetectable
4p65J-5ckmA:
undetectable		 4p65B-5ckmA:
6.27
4p65D-5ckmA:
6.27
4p65I-5ckmA:
6.28
4p65J-5ckmA:
6.27
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.
5eil TRI-05

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL A  19
LEU A   7
LEU A  40
ILE A  51
ALA A  60
 None
 1.02A 4p65B-5eilA:
undetectable
4p65D-5eilA:
undetectable
4p65I-5eilA:
undetectable
4p65J-5eilA:
undetectable		 4p65B-5eilA:
11.45
4p65D-5eilA:
11.45
4p65I-5eilA:
6.94
4p65J-5eilA:
11.45
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.
5eil TRI-05

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL A  85
LEU A  73
LEU A 106
ILE A 117
ALA A 126
 None
 1.01A 4p65B-5eilA:
undetectable
4p65D-5eilA:
undetectable
4p65I-5eilA:
undetectable
4p65J-5eilA:
undetectable		 4p65B-5eilA:
11.45
4p65D-5eilA:
11.45
4p65I-5eilA:
6.94
4p65J-5eilA:
11.45
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.
5glj TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00595
(PDZ) 		5 VAL A1126
LEU A1164
ILE A1123
LEU A1173
LEU A1096
 CL  A1201 (-4.7A)
None
None
None
None
 0.95A 4p65B-5gljA:
undetectable
4p65D-5gljA:
undetectable
4p65I-5gljA:
undetectable
4p65J-5gljA:
undetectable		 4p65B-5gljA:
14.44
4p65D-5gljA:
14.44
4p65I-5gljA:
10.34
4p65J-5gljA:
14.44
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.
5h76 DARPIN,IMMUNOGLOBULI
N G-BINDING PROTEIN
A

(Staphylococcus
aureus;
synthetic
construct) 		PF02216
(B)
PF12796
(Ank_2) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 1.00A 4p65B-5h76A:
undetectable
4p65D-5h76A:
undetectable
4p65I-5h76A:
undetectable
4p65J-5h76A:
undetectable		 4p65B-5h76A:
10.42
4p65D-5h76A:
10.42
4p65I-5h76A:
5.58
4p65J-5h76A:
10.42
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.
5itz DESIGNED ANKYRIN
REPEAT PROTEIN
(DARPIN) D1

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL F  30
LEU F  18
LEU F  51
ILE F  62
ALA F  71
 None
 1.01A 4p65B-5itzF:
undetectable
4p65D-5itzF:
undetectable
4p65I-5itzF:
undetectable
4p65J-5itzF:
undetectable		 4p65B-5itzF:
13.49
4p65D-5itzF:
13.49
4p65I-5itzF:
7.69
4p65J-5itzF:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jab BILIVERDIN REDUCTASE
RV2074

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		6 VAL A   4
LEU A  82
ILE A 124
LEU A  18
LEU A  15
ALA A  14
 None
 1.42A 4p65B-5jabA:
undetectable
4p65D-5jabA:
undetectable
4p65I-5jabA:
undetectable
4p65J-5jabA:
undetectable		 4p65B-5jabA:
13.64
4p65D-5jabA:
13.64
4p65I-5jabA:
14.86
4p65J-5jabA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 LEU A 324
LEU A 306
ILE A 236
HIS A 283
LEU A 284
 None
 0.98A 4p65B-5jbgA:
undetectable
4p65D-5jbgA:
undetectable
4p65I-5jbgA:
undetectable
4p65J-5jbgA:
undetectable		 4p65B-5jbgA:
4.00
4p65D-5jbgA:
4.00
4p65I-5jbgA:
2.84
4p65J-5jbgA:
4.00
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.
5k7f TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Myxococcus
xanthus) 		PF00440
(TetR_N) 		5 VAL A  76
LEU A  77
LEU A  90
LEU A 138
ALA A 141
 None
 0.91A 4p65B-5k7fA:
undetectable
4p65D-5k7fA:
undetectable
4p65I-5k7fA:
undetectable
4p65J-5k7fA:
undetectable		 4p65B-5k7fA:
9.38
4p65D-5k7fA:
9.38
4p65I-5k7fA:
14.00
4p65J-5k7fA:
9.38
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.
5knh DARPIN 6G9

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL D  30
LEU D  18
LEU D  51
ILE D  62
ALA D  71
 None
 1.02A 4p65B-5knhD:
undetectable
4p65D-5knhD:
undetectable
4p65I-5knhD:
undetectable
4p65J-5knhD:
undetectable		 4p65B-5knhD:
13.25
4p65D-5knhD:
13.25
4p65I-5knhD:
8.94
4p65J-5knhD:
13.25
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.
5kwd ANKYRIN
REPEAT-CONTAINING
PROTEIN

(Metallosphaera
yellowstonensis) 		PF12796
(Ank_2) 		5 VAL A  19
LEU A   7
LEU A  40
ILE A  51
ALA A  60
 None
 0.99A 4p65B-5kwdA:
undetectable
4p65D-5kwdA:
undetectable
4p65I-5kwdA:
undetectable
4p65J-5kwdA:
undetectable		 4p65B-5kwdA:
11.81
4p65D-5kwdA:
11.81
4p65I-5kwdA:
7.64
4p65J-5kwdA:
11.81
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.
5kwd ANKYRIN
REPEAT-CONTAINING
PROTEIN

(Metallosphaera
yellowstonensis) 		PF12796
(Ank_2) 		5 VAL A  85
LEU A  73
LEU A 106
ILE A 117
ALA A 126
 None
 1.00A 4p65B-5kwdA:
undetectable
4p65D-5kwdA:
undetectable
4p65I-5kwdA:
undetectable
4p65J-5kwdA:
undetectable		 4p65B-5kwdA:
11.81
4p65D-5kwdA:
11.81
4p65I-5kwdA:
7.64
4p65J-5kwdA:
11.81
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.
5le4 DD_D12_11_D12

(synthetic
construct) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 0.99A 4p65B-5le4A:
undetectable
4p65D-5le4A:
undetectable
4p65I-5le4A:
undetectable
4p65J-5le4A:
undetectable		 4p65B-5le4A:
10.50
4p65D-5le4A:
10.50
4p65I-5le4A:
6.03
4p65J-5le4A:
10.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5le9 DD_OFF7_09_3G124

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL A 251
LEU A 239
LEU A 272
ILE A 283
ALA A 292
 None
 1.02A 4p65B-5le9A:
undetectable
4p65D-5le9A:
undetectable
4p65I-5le9A:
undetectable
4p65J-5le9A:
undetectable		 4p65B-5le9A:
7.72
4p65D-5le9A:
7.72
4p65I-5le9A:
6.17
4p65J-5le9A:
7.72
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.
5leb DDD_D12_06_D12_06_D1
2

(synthetic
construct) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 1.02A 4p65B-5lebA:
undetectable
4p65D-5lebA:
undetectable
4p65I-5lebA:
undetectable
4p65J-5lebA:
undetectable		 4p65B-5lebA:
6.56
4p65D-5lebA:
6.56
4p65I-5lebA:
4.34
4p65J-5lebA:
6.56
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.
5leb DDD_D12_06_D12_06_D1
2

(synthetic
construct) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 0.99A 4p65B-5lebA:
undetectable
4p65D-5lebA:
undetectable
4p65I-5lebA:
undetectable
4p65J-5lebA:
undetectable		 4p65B-5lebA:
6.56
4p65D-5lebA:
6.56
4p65I-5lebA:
4.34
4p65J-5lebA:
6.56
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.
5leb DDD_D12_06_D12_06_D1
2

(synthetic
construct) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 VAL A 248
LEU A 236
LEU A 269
ILE A 280
ALA A 289
 None
 0.98A 4p65B-5lebA:
undetectable
4p65D-5lebA:
undetectable
4p65I-5lebA:
undetectable
4p65J-5lebA:
undetectable		 4p65B-5lebA:
6.56
4p65D-5lebA:
6.56
4p65I-5lebA:
4.34
4p65J-5lebA:
6.56
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.
5lw2 DARPIN_5M3_D12

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 1.00A 4p65B-5lw2A:
undetectable
4p65D-5lw2A:
undetectable
4p65I-5lw2A:
undetectable
4p65J-5lw2A:
undetectable		 4p65B-5lw2A:
17.27
4p65D-5lw2A:
17.27
4p65I-5lw2A:
9.17
4p65J-5lw2A:
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.
5ma6 3G124NC

(synthetic
construct) 		no annotation 5 VAL B  30
LEU B  18
LEU B  51
ILE B  62
ALA B  71
 None
None
None
PO4  B 201 (-4.4A)
None
 1.00A 4p65B-5ma6B:
undetectable
4p65D-5ma6B:
undetectable
4p65I-5ma6B:
undetectable
4p65J-5ma6B:
undetectable		 4p65B-5ma6B:
undetectable
4p65D-5ma6B:
undetectable
4p65I-5ma6B:
undetectable
4p65J-5ma6B:
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.
5mio KINESIN-LIKE PROTEIN
KIF2C,KIF2C FUSED TO
A DARPIN,KIF2C FUSED
TO A DARPIN

(Homo sapiens) 		PF00023
(Ank)
PF00225
(Kinesin)
PF12796
(Ank_2) 		5 VAL C 639
LEU C 627
LEU C 660
ILE C 671
ALA C 680
 None
 1.00A 4p65B-5mioC:
undetectable
4p65D-5mioC:
undetectable
4p65I-5mioC:
undetectable
4p65J-5mioC:
undetectable		 4p65B-5mioC:
5.69
4p65D-5mioC:
5.69
4p65I-5mioC:
5.60
4p65J-5mioC:
5.69
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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 LEU A 909
ILE A 877
LEU A 976
LEU A 967
ALA A 970
 None
 0.98A 4p65B-5msoA:
undetectable
4p65D-5msoA:
undetectable
4p65I-5msoA:
undetectable
4p65J-5msoA:
undetectable		 4p65B-5msoA:
3.16
4p65D-5msoA:
3.16
4p65I-5msoA:
1.97
4p65J-5msoA:
3.16
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.
5oyj DARPIN D4B

(synthetic
construct) 		no annotation 5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 0.98A 4p65B-5oyjA:
undetectable
4p65D-5oyjA:
undetectable
4p65I-5oyjA:
undetectable
4p65J-5oyjA:
undetectable		 4p65B-5oyjA:
undetectable
4p65D-5oyjA:
undetectable
4p65I-5oyjA:
undetectable
4p65J-5oyjA:
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.
5uxb MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH

(Brachybacterium
faecium) 		PF01636
(APH) 		5 VAL A 127
LEU A 123
LEU A 243
LEU A 257
HIS A 230
 None
 0.85A 4p65B-5uxbA:
undetectable
4p65D-5uxbA:
undetectable
4p65I-5uxbA:
undetectable
4p65J-5uxbA:
undetectable		 4p65B-5uxbA:
8.64
4p65D-5uxbA:
8.64
4p65I-5uxbA:
8.55
4p65J-5uxbA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vaw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TYPE IV
PILIN PILA

(Acinetobacter
baumannii;
Escherichia
coli) 		no annotation 5 LEU A 115
ILE A 132
LEU A 139
LEU A 122
ALA A 223
 None
 0.99A 4p65B-5vawA:
undetectable
4p65D-5vawA:
undetectable
4p65I-5vawA:
undetectable
4p65J-5vawA:
undetectable		 4p65B-5vawA:
undetectable
4p65D-5vawA:
undetectable
4p65I-5vawA:
undetectable
4p65J-5vawA:
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.
5x06 DNAA REGULATORY
INACTIVATOR HDA

(Escherichia
coli) 		no annotation 5 LEU E  38
ILE E  46
LEU E  98
LEU E  60
ALA E  63
 None
 1.01A 4p65B-5x06E:
undetectable
4p65D-5x06E:
undetectable
4p65I-5x06E:
undetectable
4p65J-5x06E:
undetectable		 4p65B-5x06E:
undetectable
4p65D-5x06E:
undetectable
4p65I-5x06E:
undetectable
4p65J-5x06E:
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.
5yjh PERIOSTIN

(Homo sapiens) 		no annotation 5 LEU A 271
LEU A 247
HIS A 359
LEU A 360
ALA A 273
 None
MG  A 723 ( 4.7A)
None
None
None
 0.96A 4p65B-5yjhA:
undetectable
4p65D-5yjhA:
undetectable
4p65I-5yjhA:
undetectable
4p65J-5yjhA:
undetectable		 4p65B-5yjhA:
undetectable
4p65D-5yjhA:
undetectable
4p65I-5yjhA:
undetectable
4p65J-5yjhA:
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.
5yo8 TETRAPRENYL-BETA-CUR
CUMENE SYNTHASE

(Bacillus
alcalophilus) 		no annotation 5 LEU A 135
CYH A  84
ILE A  82
LEU A 109
ALA A 112
 None
 0.86A 4p65B-5yo8A:
undetectable
4p65D-5yo8A:
undetectable
4p65I-5yo8A:
undetectable
4p65J-5yo8A:
undetectable		 4p65B-5yo8A:
undetectable
4p65D-5yo8A:
undetectable
4p65I-5yo8A:
undetectable
4p65J-5yo8A:
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.
6bbn DARPIN

(Escherichia
coli) 		no annotation 5 VAL P  30
LEU P  18
LEU P  51
ILE P  62
ALA P  71
 None
 0.99A 4p65B-6bbnP:
undetectable
4p65D-6bbnP:
undetectable
4p65I-6bbnP:
undetectable
4p65J-6bbnP:
undetectable		 4p65B-6bbnP:
undetectable
4p65D-6bbnP:
undetectable
4p65I-6bbnP:
undetectable
4p65J-6bbnP:
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.
6c9k DARP14 - SUBUNIT A
WITH DARPIN

(synthetic
construct) 		no annotation 6 VAL A 246
LEU A 234
LEU A 267
ILE A 278
LEU A 283
ALA A 287
 None
 1.24A 4p65B-6c9kA:
undetectable
4p65D-6c9kA:
undetectable
4p65I-6c9kA:
undetectable
4p65J-6c9kA:
undetectable		 4p65B-6c9kA:
undetectable
4p65D-6c9kA:
undetectable
4p65I-6c9kA:
undetectable
4p65J-6c9kA:
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.
6f5e DD_D12_10_47

(synthetic
construct) 		no annotation 5 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 0.95A 4p65B-6f5eA:
undetectable
4p65D-6f5eA:
undetectable
4p65I-6f5eA:
undetectable
4p65J-6f5eA:
undetectable		 4p65B-6f5eA:
undetectable
4p65D-6f5eA:
undetectable
4p65I-6f5eA:
undetectable
4p65J-6f5eA:
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.
6f5e DD_D12_10_47

(synthetic
construct) 		no annotation 5 VAL A  63
LEU A  51
LEU A  84
ILE A  95
ALA A 104
 None
 1.00A 4p65B-6f5eA:
undetectable
4p65D-6f5eA:
undetectable
4p65I-6f5eA:
undetectable
4p65J-6f5eA:
undetectable		 4p65B-6f5eA:
undetectable
4p65D-6f5eA:
undetectable
4p65I-6f5eA:
undetectable
4p65J-6f5eA:
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.
6f5e DD_D12_10_47

(synthetic
construct) 		no annotation 5 VAL A 186
LEU A 174
LEU A 207
ILE A 218
ALA A 227
 None
 1.02A 4p65B-6f5eA:
undetectable
4p65D-6f5eA:
undetectable
4p65I-6f5eA:
undetectable
4p65J-6f5eA:
undetectable		 4p65B-6f5eA:
undetectable
4p65D-6f5eA:
undetectable
4p65I-6f5eA:
undetectable
4p65J-6f5eA:
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.
6f5e DD_D12_10_47

(synthetic
construct) 		no annotation 5 VAL A 252
LEU A 240
LEU A 273
ILE A 284
ALA A 293
 None
 0.98A 4p65B-6f5eA:
undetectable
4p65D-6f5eA:
undetectable
4p65I-6f5eA:
undetectable
4p65J-6f5eA:
undetectable		 4p65B-6f5eA:
undetectable
4p65D-6f5eA:
undetectable
4p65I-6f5eA:
undetectable
4p65J-6f5eA:
undetectable