SIMILAR PATTERNS OF AMINO ACIDS FOR 1C4D_A_DVAA6_0

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.
1eyv N-UTILIZING
SUBSTANCE PROTEIN B
HOMOLOG

(Mycobacterium
tuberculosis) 		PF01029
(NusB) 		3 ALA A  32
VAL A  62
TRP A  98
 None
 0.99A 1c4dA-1eyvA:
undetectable
1c4dB-1eyvA:
undetectable		 1c4dA-1eyvA:
7.09
1c4dB-1eyvA:
7.09
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.
1fh0 CATHEPSIN V

(Homo sapiens) 		PF00112
(Peptidase_C1) 		3 ALA A  33
VAL A 168
TRP A   7
 None
 1.00A 1c4dA-1fh0A:
undetectable
1c4dB-1fh0A:
undetectable		 1c4dA-1fh0A:
6.28
1c4dB-1fh0A:
6.28
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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ALA A 250
VAL A 139
TRP A 129
 None
 0.96A 1c4dA-1guzA:
undetectable
1c4dB-1guzA:
undetectable		 1c4dA-1guzA:
4.00
1c4dB-1guzA:
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ALA A 250
VAL A 139
TRP A 129
 None
 0.99A 1c4dA-1gv0A:
undetectable
1c4dB-1gv0A:
undetectable		 1c4dA-1gv0A:
4.00
1c4dB-1gv0A:
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ALA A  58
VAL A  40
TRP A  61
 None
 0.92A 1c4dA-1h0hA:
undetectable
1c4dB-1h0hA:
undetectable		 1c4dA-1h0hA:
1.57
1c4dB-1h0hA:
1.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 ALA A 129
VAL A 166
TRP A 165
 None
 0.82A 1c4dA-1hwwA:
undetectable
1c4dB-1hwwA:
undetectable		 1c4dA-1hwwA:
1.43
1c4dB-1hwwA:
1.43
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.
1icf PROTEIN (CATHEPSIN
L: HEAVY CHAIN)

(Homo sapiens) 		PF00112
(Peptidase_C1) 		3 ALA A  33
VAL A 168
TRP A   7
 None
 1.01A 1c4dA-1icfA:
undetectable
1c4dB-1icfA:
undetectable		 1c4dA-1icfA:
4.68
1c4dB-1icfA:
4.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		3 ALA A 462
VAL A 465
TRP A 464
 None
 0.95A 1c4dA-1iq7A:
undetectable
1c4dB-1iq7A:
undetectable		 1c4dA-1iq7A:
3.41
1c4dB-1iq7A:
3.41
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		3 ALA A  71
VAL A  74
TRP A  29
 None
 0.94A 1c4dA-1kb0A:
undetectable
1c4dB-1kb0A:
undetectable		 1c4dA-1kb0A:
2.73
1c4dB-1kb0A:
2.73
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ALA A 854
VAL A 880
TRP A 858
 None
 0.86A 1c4dA-1kcwA:
undetectable
1c4dB-1kcwA:
undetectable		 1c4dA-1kcwA:
2.18
1c4dB-1kcwA:
2.18
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ALA A 274
VAL A 158
TRP A 148
 None
 0.96A 1c4dA-1ldnA:
undetectable
1c4dB-1ldnA:
undetectable		 1c4dA-1ldnA:
6.40
1c4dB-1ldnA:
6.40
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.
1n1c TORA SPECIFIC
CHAPERONE

(Shewanella
massilia) 		PF02613
(Nitrate_red_del) 		3 ALA A 199
VAL A 194
TRP A 193
 None
 0.99A 1c4dA-1n1cA:
undetectable
1c4dB-1n1cA:
undetectable		 1c4dA-1n1cA:
11.71
1c4dB-1n1cA:
11.71
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ALA A 500
VAL A 503
TRP A 519
 None
 0.99A 1c4dA-1ogyA:
undetectable
1c4dB-1ogyA:
undetectable		 1c4dA-1ogyA:
5.19
1c4dB-1ogyA:
5.19
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.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		3 ALA A 132
VAL A 549
TRP A 217
 FAD  A 605 (-3.3A)
None
None
 1.00A 1c4dA-1qo8A:
undetectable
1c4dB-1qo8A:
undetectable		 1c4dA-1qo8A:
2.95
1c4dB-1qo8A:
2.95
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.
1tjy SUGAR TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		3 ALA A  31
VAL A  90
TRP A 115
 None
 0.94A 1c4dA-1tjyA:
undetectable
1c4dB-1tjyA:
undetectable		 1c4dA-1tjyA:
5.63
1c4dB-1tjyA:
5.63
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.
1xwr REGULATORY PROTEIN
CII

(Escherichia
virus Lambda) 		PF05269
(Phage_CII) 		3 ALA A  10
VAL A  57
TRP A  60
 None
 1.00A 1c4dA-1xwrA:
undetectable
1c4dB-1xwrA:
undetectable		 1c4dA-1xwrA:
16.67
1c4dB-1xwrA:
16.67
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.
2b1n SPE31

(Pachyrhizus
erosus) 		PF00112
(Peptidase_C1) 		3 ALA A  34
VAL A 173
TRP A   8
 None
 0.99A 1c4dA-2b1nA:
undetectable
1c4dB-2b1nA:
undetectable		 1c4dA-2b1nA:
4.27
1c4dB-2b1nA:
4.27
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
DELTA CHAIN

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		3 ALA C 438
VAL C 443
TRP C 446
 None
 0.90A 1c4dA-2bg9C:
undetectable
1c4dB-2bg9C:
undetectable		 1c4dA-2bg9C:
3.01
1c4dB-2bg9C:
3.01
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.
2bv7 GLYCOLIPID TRANSFER
PROTEIN

(Bos taurus) 		PF08718
(GLTP) 		3 ALA A  93
VAL A  88
TRP A  85
 None
 1.00A 1c4dA-2bv7A:
undetectable
1c4dB-2bv7A:
undetectable		 1c4dA-2bv7A:
9.17
1c4dB-2bv7A:
9.17
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.
2c0h MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Mytilus edulis) 		PF00150
(Cellulase) 		3 ALA A  38
VAL A  78
TRP A  79
 None
 0.99A 1c4dA-2c0hA:
undetectable
1c4dB-2c0hA:
undetectable		 1c4dA-2c0hA:
7.64
1c4dB-2c0hA:
7.64
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.
2c0y PROCATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		3 ALA A 132
VAL A 268
TRP A 106
 None
 0.99A 1c4dA-2c0yA:
undetectable
1c4dB-2c0yA:
undetectable		 1c4dA-2c0yA:
7.01
1c4dB-2c0yA:
7.01
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.
2ciy CHLOROPEROXIDASE

(Leptoxyphium
fumago) 		PF01328
(Peroxidase_2) 		3 ALA A 189
VAL A 191
TRP A 225
 None
 1.00A 1c4dA-2ciyA:
undetectable
1c4dB-2ciyA:
undetectable		 1c4dA-2ciyA:
6.22
1c4dB-2ciyA:
6.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		3 ALA A 462
VAL A 465
TRP A 464
 BCT  A 690 (-3.2A)
None
None
 0.85A 1c4dA-2d3iA:
undetectable
1c4dB-2d3iA:
undetectable		 1c4dA-2d3iA:
4.57
1c4dB-2d3iA:
4.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2evv HYPOTHETICAL PROTEIN
HP0218

(Helicobacter
pylori) 		PF01161
(PBP) 		3 ALA A  53
VAL A  73
TRP A  72
 None
 0.97A 1c4dA-2evvA:
undetectable
1c4dB-2evvA:
undetectable		 1c4dA-2evvA:
5.75
1c4dB-2evvA:
5.75
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.
2gsl HYPOTHETICAL PROTEIN

(Fusobacterium
nucleatum) 		PF00636
(Ribonuclease_3) 		3 ALA A  50
VAL A  52
TRP A  26
 None
 0.95A 1c4dA-2gslA:
undetectable
1c4dB-2gslA:
undetectable		 1c4dA-2gslA:
8.05
1c4dB-2gslA:
8.05
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.
2gsl HYPOTHETICAL PROTEIN

(Fusobacterium
nucleatum) 		PF00636
(Ribonuclease_3) 		3 ALA A  54
VAL A  52
TRP A  26
 None
 0.99A 1c4dA-2gslA:
undetectable
1c4dB-2gslA:
undetectable		 1c4dA-2gslA:
8.05
1c4dB-2gslA:
8.05
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		3 ALA A 203
VAL A 262
TRP A 223
 None
 0.90A 1c4dA-2gu0A:
undetectable
1c4dB-2gu0A:
undetectable		 1c4dA-2gu0A:
4.12
1c4dB-2gu0A:
4.12
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ALA A 380
VAL A 384
TRP A 383
 None
 1.00A 1c4dA-2htvA:
undetectable
1c4dB-2htvA:
undetectable		 1c4dA-2htvA:
3.43
1c4dB-2htvA:
3.43
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.
2j0v RAC-LIKE GTP-BINDING
PROTEIN ARAC7

(Arabidopsis
thaliana) 		PF00071
(Ras) 		3 ALA A  91
VAL A  96
TRP A 100
 None
 1.01A 1c4dA-2j0vA:
undetectable
1c4dB-2j0vA:
undetectable		 1c4dA-2j0vA:
12.22
1c4dB-2j0vA:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2klo DNA REPLICATION
FACTOR CDT1

(Mus musculus) 		PF16679
(CDT1_C) 		3 ALA A 123
VAL A 120
TRP A 102
 None
 0.96A 1c4dA-2kloA:
undetectable
1c4dB-2kloA:
undetectable		 1c4dA-2kloA:
9.35
1c4dB-2kloA:
9.35
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.
2l72 ACTIN DEPOLYMERIZING
FACTOR, PUTATIVE

(Toxoplasma
gondii) 		PF00241
(Cofilin_ADF) 		3 ALA A 105
VAL A  62
TRP A  26
 None
 0.90A 1c4dA-2l72A:
undetectable
1c4dB-2l72A:
undetectable		 1c4dA-2l72A:
8.04
1c4dB-2l72A:
8.04
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		3 ALA A 388
VAL A 391
TRP A 402
 None
 0.99A 1c4dA-2qpsA:
undetectable
1c4dB-2qpsA:
undetectable		 1c4dA-2qpsA:
4.68
1c4dB-2qpsA:
4.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		3 ALA A 235
VAL A 239
TRP A 243
 None
 0.88A 1c4dA-2r9qA:
undetectable
1c4dB-2r9qA:
undetectable		 1c4dA-2r9qA:
5.38
1c4dB-2r9qA:
5.38
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.
2vqx METALLOPROTEINASE

(Serratia
proteamaculans) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
PF16485
(PLN_propep) 		3 ALA A 278
VAL A 331
TRP A 335
 None
 0.98A 1c4dA-2vqxA:
undetectable
1c4dB-2vqxA:
undetectable		 1c4dA-2vqxA:
3.66
1c4dB-2vqxA:
3.66
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.
2yn3 PUTATIVE INNER
MEMBRANE PROTEIN

(Salmonella
enterica) 		PF12245
(Big_3_2) 		3 ALA A5215
VAL A5218
TRP A5219
 None
 0.77A 1c4dA-2yn3A:
undetectable
1c4dB-2yn3A:
undetectable		 1c4dA-2yn3A:
6.08
1c4dB-2yn3A:
6.08
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.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		3 ALA A 305
VAL A 300
TRP A 299
 None
 0.96A 1c4dA-2zm2A:
undetectable
1c4dB-2zm2A:
undetectable		 1c4dA-2zm2A:
3.81
1c4dB-2zm2A:
3.81
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.
3a4c DNA REPLICATION
FACTOR CDT1

(Mus musculus) 		PF16679
(CDT1_C) 		3 ALA A 542
VAL A 539
TRP A 521
 None
 0.89A 1c4dA-3a4cA:
undetectable
1c4dB-3a4cA:
undetectable		 1c4dA-3a4cA:
18.18
1c4dB-3a4cA:
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		3 ALA A  93
VAL A  99
TRP A 100
 None
 0.45A 1c4dA-3akfA:
undetectable
1c4dB-3akfA:
undetectable		 1c4dA-3akfA:
2.42
1c4dB-3akfA:
2.42
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.
3auv SC-DSFV DERIVED FROM
THE G6-FAB

(Homo sapiens) 		PF07686
(V-set) 		3 ALA A 240
VAL A 234
TRP A 167
 None
 0.76A 1c4dA-3auvA:
undetectable
1c4dB-3auvA:
undetectable		 1c4dA-3auvA:
7.69
1c4dB-3auvA:
7.69
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.
3c0u UNCHARACTERIZED
PROTEIN YAEQ

(Escherichia
coli) 		PF07152
(YaeQ) 		3 ALA A 100
VAL A 102
TRP A  81
 None
 1.00A 1c4dA-3c0uA:
undetectable
1c4dB-3c0uA:
undetectable		 1c4dA-3c0uA:
7.22
1c4dB-3c0uA:
7.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		3 ALA A 148
VAL A 153
TRP A 152
 None
NHE  A 196 ( 4.6A)
None
 0.92A 1c4dA-3cggA:
undetectable
1c4dB-3cggA:
undetectable		 1c4dA-3cggA:
12.50
1c4dB-3cggA:
12.50
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.
3ejw SMLSRB

(Sinorhizobium
meliloti) 		PF13407
(Peripla_BP_4) 		3 ALA A   5
VAL A  64
TRP A  89
 None
 0.96A 1c4dA-3ejwA:
undetectable
1c4dB-3ejwA:
undetectable		 1c4dA-3ejwA:
5.17
1c4dB-3ejwA:
5.17
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.
3hwn CATHEPSIN L1

(Homo sapiens) 		PF00112
(Peptidase_C1) 		3 ALA A  33
VAL A 168
TRP A   7
 None
 0.98A 1c4dA-3hwnA:
undetectable
1c4dB-3hwnA:
undetectable		 1c4dA-3hwnA:
5.53
1c4dB-3hwnA:
5.53
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.
3ioq CMS1MS2

(Vasconcellea
cundinamarcensis) 		PF00112
(Peptidase_C1) 		3 ALA A  33
VAL A 164
TRP A   7
 None
 1.00A 1c4dA-3ioqA:
undetectable
1c4dB-3ioqA:
undetectable		 1c4dA-3ioqA:
15.07
1c4dB-3ioqA:
15.07
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		3 ALA A  24
VAL A 147
TRP A 113
 None
 0.91A 1c4dA-3it4A:
undetectable
1c4dB-3it4A:
undetectable		 1c4dA-3it4A:
9.65
1c4dB-3it4A:
9.65
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.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		3 ALA P 440
VAL P 388
TRP P 393
 None
 0.70A 1c4dA-3izyP:
undetectable
1c4dB-3izyP:
undetectable		 1c4dA-3izyP:
2.66
1c4dB-3izyP:
2.66
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.
3kh1 PREDICTED
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Magnetospirillum
magnetotacticum) 		PF13023
(HD_3) 		3 ALA A 164
VAL A 161
TRP A 156
 None
 0.84A 1c4dA-3kh1A:
undetectable
1c4dB-3kh1A:
undetectable		 1c4dA-3kh1A:
5.00
1c4dB-3kh1A:
5.00
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.
3luq SENSOR PROTEIN

(Geobacter
sulfurreducens) 		PF08448
(PAS_4) 		3 ALA A 103
VAL A 192
TRP A 182
 None
 0.95A 1c4dA-3luqA:
undetectable
1c4dB-3luqA:
undetectable		 1c4dA-3luqA:
9.78
1c4dB-3luqA:
9.78
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.
3n7k BOTULINUM NEUROTOXIN
TYPE C1

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 ALA A1001
VAL A 950
TRP A 949
 None
 0.90A 1c4dA-3n7kA:
undetectable
1c4dB-3n7kA:
undetectable		 1c4dA-3n7kA:
8.80
1c4dB-3n7kA:
8.80
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.
3nvx PROTEIN A39

(Vaccinia virus) 		PF01403
(Sema) 		3 ALA A 384
VAL A 374
TRP A 329
 None
 0.96A 1c4dA-3nvxA:
undetectable
1c4dB-3nvxA:
undetectable		 1c4dA-3nvxA:
3.69
1c4dB-3nvxA:
3.69
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ALA A 500
VAL A 503
TRP A 519
 None
 0.99A 1c4dA-3o5aA:
undetectable
1c4dB-3o5aA:
undetectable		 1c4dA-3o5aA:
2.86
1c4dB-3o5aA:
2.86
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.
3p5u ACTINIDIN

(Actinidia
arguta) 		PF00112
(Peptidase_C1) 		3 ALA A  33
VAL A 167
TRP A   7
 None
 1.00A 1c4dA-3p5uA:
undetectable
1c4dB-3p5uA:
undetectable		 1c4dA-3p5uA:
5.95
1c4dB-3p5uA:
5.95
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		3 ALA A  79
VAL A  82
TRP A  85
 None
 1.01A 1c4dA-3pblA:
undetectable
1c4dB-3pblA:
undetectable		 1c4dA-3pblA:
2.49
1c4dB-3pblA:
2.49
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.
3phf ENVELOPE
GLYCOPROTEIN H

(Human
gammaherpesvirus
4) 		no annotation 3 ALA A  94
VAL A 313
TRP A 317
 None
 0.70A 1c4dA-3phfA:
undetectable
1c4dB-3phfA:
undetectable		 1c4dA-3phfA:
2.37
1c4dB-3phfA:
2.37
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.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		3 ALA A 181
VAL A 220
TRP A 278
 None
 1.00A 1c4dA-3qsgA:
undetectable
1c4dB-3qsgA:
undetectable		 1c4dA-3qsgA:
4.07
1c4dB-3qsgA:
4.07
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.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		3 ALA A 130
VAL A 264
TRP A 105
 None
None
PO4  A 402 (-3.5A)
 0.96A 1c4dA-3qt4A:
undetectable
1c4dB-3qt4A:
undetectable		 1c4dA-3qt4A:
4.82
1c4dB-3qt4A:
4.82
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.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		3 ALA A  81
VAL A  87
TRP A  86
 None
 0.93A 1c4dA-3qz1A:
undetectable
1c4dB-3qz1A:
undetectable		 1c4dA-3qz1A:
6.28
1c4dB-3qz1A:
6.28
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.
3sb1 HYDROGENASE
EXPRESSION PROTEIN

(Thiobacillus
denitrificans) 		PF04809
(HupH_C) 		3 ALA A  85
VAL A  89
TRP A  90
 None
 0.91A 1c4dA-3sb1A:
undetectable
1c4dB-3sb1A:
undetectable		 1c4dA-3sb1A:
9.17
1c4dB-3sb1A:
9.17
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.
3t95 AUTOINDUCER
2-BINDING PROTEIN
LSRB

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		3 ALA A  30
VAL A  89
TRP A 114
 None
 0.95A 1c4dA-3t95A:
undetectable
1c4dB-3t95A:
undetectable		 1c4dA-3t95A:
5.63
1c4dB-3t95A:
5.63
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.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ALA A 268
VAL A 273
TRP A 276
 None
 0.79A 1c4dA-3uj2A:
undetectable
1c4dB-3uj2A:
undetectable		 1c4dA-3uj2A:
3.87
1c4dB-3uj2A:
3.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		3 ALA A  86
VAL A 125
TRP A 126
 None
 1.01A 1c4dA-3vn9A:
undetectable
1c4dB-3vn9A:
undetectable		 1c4dA-3vn9A:
3.83
1c4dB-3vn9A:
3.83
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.
4boo ACETYLCHOLINE
RECEPTOR DELTA
SUBUNIT

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		3 ALA C 438
VAL C 443
TRP C 446
 None
 0.90A 1c4dA-4booC:
undetectable
1c4dB-4booC:
undetectable		 1c4dA-4booC:
2.56
1c4dB-4booC:
2.56
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.
4bsq CATHEPSIN S

(Mus musculus) 		PF00112
(Peptidase_C1) 		3 ALA A 155
VAL A 292
TRP A 129
 None
 1.00A 1c4dA-4bsqA:
undetectable
1c4dB-4bsqA:
undetectable		 1c4dA-4bsqA:
6.96
1c4dB-4bsqA:
6.96
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		3 ALA A1616
VAL A1670
TRP A1674
 None
 0.97A 1c4dA-4c6oA:
undetectable
1c4dB-4c6oA:
undetectable		 1c4dA-4c6oA:
4.36
1c4dB-4c6oA:
4.36
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.
4ecg PUTATIVE
IRON-REGULATED
PROTEIN A

(Parabacteroides
distasonis) 		PF09375
(Peptidase_M75) 		3 ALA A 297
VAL A 277
TRP A 280
 None
 0.93A 1c4dA-4ecgA:
undetectable
1c4dB-4ecgA:
undetectable		 1c4dA-4ecgA:
5.22
1c4dB-4ecgA:
5.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fvv NEUROTOXIN

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 ALA A 997
VAL A 946
TRP A 945
 None
 1.00A 1c4dA-4fvvA:
undetectable
1c4dB-4fvvA:
undetectable		 1c4dA-4fvvA:
2.82
1c4dB-4fvvA:
2.82
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.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ALA A  16
VAL A  31
TRP A 111
 None
 0.87A 1c4dA-4gi2A:
undetectable
1c4dB-4gi2A:
undetectable		 1c4dA-4gi2A:
5.09
1c4dB-4gi2A:
5.09
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.
4hrt GLOBIN-2 A CHAIN

(Scapharca
inaequivalvis) 		PF00042
(Globin) 		3 ALA A  16
VAL A 134
TRP A 138
 None
 0.88A 1c4dA-4hrtA:
undetectable
1c4dB-4hrtA:
undetectable		 1c4dA-4hrtA:
6.29
1c4dB-4hrtA:
6.29
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.
4igd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		3 ALA A 416
VAL A 419
TRP A 420
 None
 0.97A 1c4dA-4igdA:
undetectable
1c4dB-4igdA:
undetectable		 1c4dA-4igdA:
5.77
1c4dB-4igdA:
5.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		3 ALA A  42
VAL A  20
TRP A  21
 None
FMN  A 401 (-3.8A)
None
 0.85A 1c4dA-4iqlA:
undetectable
1c4dB-4iqlA:
undetectable		 1c4dA-4iqlA:
5.68
1c4dB-4iqlA:
5.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 3 ALA D 254
VAL D 283
TRP D 284
 None
 0.98A 1c4dA-4jf7D:
undetectable
1c4dB-4jf7D:
undetectable		 1c4dA-4jf7D:
7.04
1c4dB-4jf7D:
7.04
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.
4kkd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		3 ALA A 416
VAL A 419
TRP A 420
 None
 1.01A 1c4dA-4kkdA:
undetectable
1c4dB-4kkdA:
undetectable		 1c4dA-4kkdA:
2.96
1c4dB-4kkdA:
2.96
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.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		3 ALA A 218
VAL A 216
TRP A 205
 None
 0.97A 1c4dA-4novA:
undetectable
1c4dB-4novA:
undetectable		 1c4dA-4novA:
6.07
1c4dB-4novA:
6.07
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.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes) 		PF16569
(GramPos_pilinBB) 		3 ALA A 423
VAL A 426
TRP A 425
 None
 0.91A 1c4dA-4p0dA:
undetectable
1c4dB-4p0dA:
undetectable		 1c4dA-4p0dA:
2.35
1c4dB-4p0dA:
2.35
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.
4p3i P DOMAIN OF VP1

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		3 ALA A 384
VAL A 386
TRP A 333
 None
 0.99A 1c4dA-4p3iA:
undetectable
1c4dB-4p3iA:
undetectable		 1c4dA-4p3iA:
3.07
1c4dB-4p3iA:
3.07
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.
4pju COHESIN SUBUNIT SA-2

(Homo sapiens) 		PF08514
(STAG) 		3 ALA A 998
VAL A1037
TRP A1038
 None
 0.79A 1c4dA-4pjuA:
undetectable
1c4dB-4pjuA:
undetectable		 1c4dA-4pjuA:
1.84
1c4dB-4pjuA:
1.84
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.
4pz0 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Bacillus
anthracis) 		PF13407
(Peripla_BP_4) 		3 ALA A  37
VAL A  96
TRP A 121
 None
 0.98A 1c4dA-4pz0A:
undetectable
1c4dB-4pz0A:
undetectable		 1c4dA-4pz0A:
3.82
1c4dB-4pz0A:
3.82
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.
4web HEPATITIS C VIRUS
ENVELOPE
GLYCOPROTEIN 2

(Hepacivirus C) 		PF01560
(HCV_NS1) 		3 ALA E 501
VAL E 504
TRP E 556
 None
 1.01A 1c4dA-4webE:
undetectable
1c4dB-4webE:
undetectable		 1c4dA-4webE:
6.05
1c4dB-4webE:
6.05
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		3 ALA A 313
VAL A 233
TRP A 236
 None
 0.94A 1c4dA-4zr0A:
undetectable
1c4dB-4zr0A:
undetectable		 1c4dA-4zr0A:
3.19
1c4dB-4zr0A:
3.19
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		3 ALA A 313
VAL A 233
TRP A 236
 None
 0.97A 1c4dA-4zr1A:
undetectable
1c4dB-4zr1A:
undetectable		 1c4dA-4zr1A:
5.26
1c4dB-4zr1A:
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.
5aca VP1

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		3 ALA 1  50
VAL 1 173
TRP 1  89
 None
 0.98A 1c4dA-5aca1:
undetectable
1c4dB-5aca1:
undetectable		 1c4dA-5aca1:
10.61
1c4dB-5aca1:
10.61
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		3 ALA A 434
VAL A 501
TRP A 328
 None
 0.63A 1c4dA-5aorA:
undetectable
1c4dB-5aorA:
undetectable		 1c4dA-5aorA:
1.12
1c4dB-5aorA:
1.12
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.
5c2b SCFV 3B4 HEAVY CHAIN
3B4 LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		3 ALA H 113
VAL L  35
TRP L  34
 None
 0.96A 1c4dA-5c2bH:
undetectable
1c4dB-5c2bH:
undetectable		 1c4dA-5c2bH:
9.40
1c4dB-5c2bH:
9.40
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.
5c6w PROTEIN
IGHV1-69-2,IG LAMBDA
CHAIN V-II REGION
NIG-84

(Homo sapiens) 		PF07686
(V-set) 		3 ALA H 113
VAL H1035
TRP H1034
 None
 0.99A 1c4dA-5c6wH:
undetectable
1c4dB-5c6wH:
undetectable		 1c4dA-5c6wH:
8.51
1c4dB-5c6wH:
8.51
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.
5f12 NAD(P)H
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF03358
(FMN_red) 		3 ALA A 161
VAL A 109
TRP A 127
 None
 0.70A 1c4dA-5f12A:
undetectable
1c4dB-5f12A:
undetectable		 1c4dA-5f12A:
6.15
1c4dB-5f12A:
6.15
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.
5fei DISTAL TUBE PROTEIN

(Bacillus virus
phi29) 		PF16838
(Caud_tail_N) 		3 ALA A  92
VAL A 113
TRP A 117
 None
 0.69A 1c4dA-5feiA:
undetectable
1c4dB-5feiA:
undetectable		 1c4dA-5feiA:
1.91
1c4dB-5feiA:
1.91
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.
5hos CELLULASE

(Xanthomonas
citri) 		PF00150
(Cellulase) 		3 ALA A  10
VAL A  12
TRP A 282
 None
 0.80A 1c4dA-5hosA:
undetectable
1c4dB-5hosA:
undetectable		 1c4dA-5hosA:
4.48
1c4dB-5hosA:
4.48
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.
5m1s DNA POLYMERASE III
SUBUNIT THETA

(Escherichia
coli) 		PF06440
(DNA_pol3_theta) 		3 ALA F  23
VAL F  18
TRP F  51
 None
 0.98A 1c4dA-5m1sF:
undetectable
1c4dB-5m1sF:
undetectable		 1c4dA-5m1sF:
22.58
1c4dB-5m1sF:
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.
5mj7 UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF01156
(IU_nuc_hydro) 		3 ALA A 175
VAL A 166
TRP A 202
 None
 1.00A 1c4dA-5mj7A:
undetectable
1c4dB-5mj7A:
undetectable		 1c4dA-5mj7A:
3.98
1c4dB-5mj7A:
3.98
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.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		3 ALA A 296
VAL A 266
TRP A 267
 None
 0.92A 1c4dA-5n6mA:
undetectable
1c4dB-5n6mA:
undetectable		 1c4dA-5n6mA:
2.26
1c4dB-5n6mA:
2.26
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 3 ALA A 178
VAL A 222
TRP A 221
 None
 0.95A 1c4dA-5njuA:
undetectable
1c4dB-5njuA:
undetectable		 1c4dA-5njuA:
undetectable
1c4dB-5njuA:
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.
5ode GLL2934 PROTEIN

(Gloeobacter
violaceus) 		no annotation 3 ALA A  21
VAL A  43
TRP A  85
 None
 0.98A 1c4dA-5odeA:
undetectable
1c4dB-5odeA:
undetectable		 1c4dA-5odeA:
8.43
1c4dB-5odeA:
8.43
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		3 ALA T2951
VAL T2946
TRP T2945
 None
 0.76A 1c4dA-5ojsT:
undetectable
1c4dB-5ojsT:
undetectable		 1c4dA-5ojsT:
0.58
1c4dB-5ojsT:
0.58
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 ALA A 178
VAL A 222
TRP A 221
 None
 0.83A 1c4dA-5tmhA:
undetectable
1c4dB-5tmhA:
undetectable		 1c4dA-5tmhA:
2.20
1c4dB-5tmhA:
2.20
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		3 ALA A 307
VAL A 178
TRP A 159
 None
 0.93A 1c4dA-5v1wA:
undetectable
1c4dB-5v1wA:
undetectable		 1c4dA-5v1wA:
2.37
1c4dB-5v1wA:
2.37
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.
5vba LYSOZYME, ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPG1
CHIMERA

(Mycobacterium
kansasii;
Escherichia
virus T4) 		PF00959
(Phage_lysozyme)
PF14011
(ESX-1_EspG) 		3 ALA A 220
VAL A 200
TRP A 199
 None
 0.89A 1c4dA-5vbaA:
undetectable
1c4dB-5vbaA:
undetectable		 1c4dA-5vbaA:
3.28
1c4dB-5vbaA:
3.28
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 ALA A  31
VAL A  38
TRP A  21
 None
 0.97A 1c4dA-5vniA:
undetectable
1c4dB-5vniA:
undetectable		 1c4dA-5vniA:
2.27
1c4dB-5vniA:
2.27
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.
5xn7 PUTATIVE RTX-TOXIN

(Vibrio
vulnificus) 		PF11647
(MLD) 		3 ALA A2752
VAL A2747
TRP A2737
 None
 1.01A 1c4dA-5xn7A:
undetectable
1c4dB-5xn7A:
undetectable		 1c4dA-5xn7A:
2.10
1c4dB-5xn7A:
2.10
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.
5xom GLYCOSAMINOGLYCAN
XYLOSYLKINASE

(Hydra vulgaris) 		no annotation 3 ALA A 118
VAL A 130
TRP A 235
 None
 0.93A 1c4dA-5xomA:
undetectable
1c4dB-5xomA:
undetectable		 1c4dA-5xomA:
undetectable
1c4dB-5xomA:
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 3 ALA K 253
VAL K 263
TRP K 264
 None
 0.92A 1c4dA-6d6qK:
undetectable
1c4dB-6d6qK:
undetectable		 1c4dA-6d6qK:
undetectable
1c4dB-6d6qK:
undetectable