SIMILAR PATTERNS OF AMINO ACIDS FOR 3S3V_A_TOPA187

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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.79A 3s3vA-1cz3A:
16.6		 3s3vA-1cz3A:
28.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		10 ILE A   7
ALA A   9
GLU A  30
PHE A  34
THR A  56
ILE A  60
LEU A  67
VAL A 115
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
HBI  A 198 ( 4.3A)
None
HBI  A 198 ( 4.5A)
 0.40A 3s3vA-1dr6A:
31.5		 3s3vA-1dr6A:
73.66
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 ILE A 117
ALA A  37
PHE A 114
LEU A 301
VAL A 277
 None
 1.12A 3s3vA-1gq7A:
undetectable		 3s3vA-1gq7A:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 ALA A 445
PHE A 419
ILE A 433
LEU A 141
VAL A 417
THR A 446
 None
 1.44A 3s3vA-1itzA:
undetectable		 3s3vA-1itzA:
13.50
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.
1p91 RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ALA A  88
PHE A 144
ILE A  92
LEU A 164
THR A  87
 None
 1.02A 3s3vA-1p91A:
undetectable		 3s3vA-1p91A:
19.22
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		5 ALA A 234
ILE A 320
LEU A 417
VAL A 274
THR A 252
 None
 1.10A 3s3vA-1p9bA:
2.4		 3s3vA-1p9bA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 ILE A  57
PHE A  44
ILE A 123
LEU A 105
VAL A  91
 None
 0.95A 3s3vA-1pe9A:
undetectable		 3s3vA-1pe9A:
19.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		11 ILE A   7
ALA A   9
GLU A  30
PHE A  31
PHE A  34
THR A  56
ILE A  60
LEU A  67
VAL A 115
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 ( 4.0A)
None
MTX  A 187 (-4.4A)
 0.53A 3s3vA-1u70A:
31.1		 3s3vA-1u70A:
88.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		10 ILE A   7
ALA A   9
GLU A  30
PHE A  34
THR A  56
ILE A  60
LEU A  67
VAL A 115
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
None
MXA  A 187 (-4.3A)
 0.39A 3s3vA-1u71A:
33.8		 3s3vA-1u71A:
98.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
GLU A  30
PHE A  31
THR A  56
VAL A 115
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-2.9A)
MXA  A 187 (-4.3A)
SO4  A 188 (-3.5A)
MXA  A 187 (-4.3A)
None
 1.35A 3s3vA-1u71A:
33.8		 3s3vA-1u71A:
98.39
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.
1vpv UPF0230 PROTEIN
TM1468

(Thermotoga
maritima) 		PF02645
(DegV) 		5 ILE A 281
ALA A 124
ILE A 261
LEU A 247
VAL A 232
 None
PLM  A 501 (-4.4A)
None
None
None
 1.11A 3s3vA-1vpvA:
undetectable		 3s3vA-1vpvA:
22.04
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 ILE A 241
GLU A 210
PHE A 206
ILE A 153
VAL A 220
 None
 1.10A 3s3vA-1woqA:
undetectable		 3s3vA-1woqA:
22.18
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.
1x0m AMINOTRANSFERASE II
HOMOLOGUE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		5 ILE A 270
ALA A 272
PHE A 267
ILE A 125
LEU A 107
 None
 1.14A 3s3vA-1x0mA:
undetectable		 3s3vA-1x0mA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ycn PUTATIVE
CA2+-DEPENDENT
MEMBRANE-BINDING
PROTEIN ANNEXIN

(Arabidopsis
thaliana) 		PF00191
(Annexin) 		5 ILE A 179
THR A 204
ILE A 201
LEU A 193
VAL A 175
 None
 1.13A 3s3vA-1ycnA:
undetectable		 3s3vA-1ycnA:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.72A 3s3vA-1zdrA:
20.3		 3s3vA-1zdrA:
34.04
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ILE A 558
ALA A 432
ILE A 568
LEU A 575
THR A 469
 None
 1.14A 3s3vA-2b3xA:
undetectable		 3s3vA-2b3xA:
12.86
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.50A 3s3vA-2blbA:
22.2		 3s3vA-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfb GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		5 GLU A 207
PHE A 240
LYS A 239
VAL A 192
TYR A 167
 None
 0.94A 3s3vA-2cfbA:
undetectable		 3s3vA-2cfbA:
18.43
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.
2gqb CONSERVED
HYPOTHETICAL PROTEIN

(Rhodopseudomonas
palustris) 		PF12200
(DUF3597) 		5 ILE A  47
PHE A  12
ILE A   7
LEU A 117
VAL A  49
 None
 1.05A 3s3vA-2gqbA:
undetectable		 3s3vA-2gqbA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
THR A  80
ILE A  84
LEU A  91
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.42A 3s3vA-2h2qA:
21.8		 3s3vA-2h2qA:
18.38
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.
2jhq URACIL
DNA-GLYCOSYLASE

(Vibrio cholerae) 		PF03167
(UDG) 		6 ILE A  11
GLU A  52
PHE A  48
LEU A 126
VAL A 148
THR A   6
 None
 1.29A 3s3vA-2jhqA:
undetectable		 3s3vA-2jhqA:
20.35
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.
2n4e OR34

(synthetic
construct) 		no annotation 5 ILE A  12
ALA A  62
THR A  58
LEU A  41
VAL A  14
 None
 0.99A 3s3vA-2n4eA:
undetectable		 3s3vA-2n4eA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.71A 3s3vA-2oipA:
22.8		 3s3vA-2oipA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 ILE A 681
ALA A 575
ILE A 543
LEU A 637
VAL A 685
 None
 1.08A 3s3vA-2pi5A:
undetectable		 3s3vA-2pi5A:
12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
GLU A  28
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.95A 3s3vA-2qk8A:
20.6		 3s3vA-2qk8A:
34.41
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.
2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT

(Mus musculus) 		PF00027
(cNMP_binding) 		5 ILE B 163
ALA B 215
PHE B 202
LEU B 225
VAL B 162
 ILE  B 163 ( 0.7A)
ALA  B 215 ( 0.0A)
PHE  B 202 ( 1.3A)
LEU  B 225 ( 0.6A)
VAL  B 162 ( 0.6A)
 1.14A 3s3vA-2qvsB:
undetectable		 3s3vA-2qvsB:
18.50
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.
2uwf ALKALINE ACTIVE
ENDOXYLANASE

(Bacillus
halodurans) 		PF00331
(Glyco_hydro_10) 		5 ILE A 311
ILE A 237
LEU A 300
VAL A 263
THR A 255
 None
 1.13A 3s3vA-2uwfA:
undetectable		 3s3vA-2uwfA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
PHE A  35
THR A  50
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.28A 3s3vA-2w3wA:
21.5		 3s3vA-2w3wA:
32.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.71A 3s3vA-2w9sA:
20.5		 3s3vA-2w9sA:
32.98
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.
2zii VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		5 ILE A 287
ALA A 254
PHE A 291
ILE A 318
LEU A 298
 None
 1.08A 3s3vA-2ziiA:
undetectable		 3s3vA-2ziiA:
20.76
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.
3cky 2-HYDROXYMETHYL
GLUTARATE
DEHYDROGENASE

(Eubacterium
barkeri) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ILE A   7
ALA A  20
PHE A  65
ILE A 138
VAL A 153
 None
 1.05A 3s3vA-3ckyA:
undetectable		 3s3vA-3ckyA:
18.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
PHE A  30
THR A  45
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.70A 3s3vA-3dfrA:
20.6		 3s3vA-3dfrA:
31.22
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
PHE A  58
ILE A 112
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.37A 3s3vA-3dg8A:
22.8		 3s3vA-3dg8A:
25.81
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.
3dgf RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 ILE C  17
PHE C 107
ILE C  80
LEU C  82
VAL C  18
 None
 1.06A 3s3vA-3dgfC:
undetectable		 3s3vA-3dgfC:
21.05
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.
3hcz POSSIBLE
THIOL-DISULFIDE
ISOMERASE

(Cytophaga
hutchinsonii) 		PF00578
(AhpC-TSA) 		5 ILE A 455
GLU A 375
ILE A 391
LEU A 464
VAL A 443
 None
 1.11A 3s3vA-3hczA:
undetectable		 3s3vA-3hczA:
24.74
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.
3ho6 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80) 		5 ILE A  42
PHE A 123
PHE A 110
ILE A 197
VAL A 108
 None
 1.11A 3s3vA-3ho6A:
undetectable		 3s3vA-3ho6A:
22.51
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.92A 3s3vA-3i8aX:
20.2		 3s3vA-3i8aX:
29.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
GLU A  28
PHE A  32
THR A  47
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.84A 3s3vA-3ia4A:
20.7		 3s3vA-3ia4A:
31.18
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.
3idb CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-BETA REGULATORY
SUBUNIT

(Rattus
norvegicus) 		PF00027
(cNMP_binding) 		5 ILE B 180
ALA B 232
PHE B 219
LEU B 242
VAL B 179
 None
 1.06A 3s3vA-3idbB:
undetectable		 3s3vA-3idbB:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ILE A   8
ALA A  10
GLU A  30
PHE A  34
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.82A 3s3vA-3ix9A:
20.8		 3s3vA-3ix9A:
33.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ILE A   8
ALA A  10
GLU A  30
PHE A  34
THR A  49
VAL A 100
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.50A 3s3vA-3ix9A:
20.8		 3s3vA-3ix9A:
33.17
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.
3j4r CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT

(Mus musculus) 		PF00027
(cNMP_binding)
PF02197
(RIIa) 		5 ILE B 165
ALA B 217
PHE B 204
LEU B 227
VAL B 164
 None
 1.13A 3s3vA-3j4rB:
undetectable		 3s3vA-3j4rB:
18.75
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.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 0.94A 3s3vA-3kaoA:
undetectable		 3s3vA-3kaoA:
23.25
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.
3ker D-DOPACHROME
DECARBOXYLASE

(Mus musculus) 		PF01187
(MIF) 		5 ILE A  97
PHE A  83
PHE A  80
LEU A  30
VAL A  61
 None
 0.95A 3s3vA-3kerA:
undetectable		 3s3vA-3kerA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.62A 3s3vA-3kjrA:
22.9		 3s3vA-3kjrA:
23.28
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.
3nom GLUTAMINE
CYCLOTRANSFERASE

(Zymomonas
mobilis) 		PF05096
(Glu_cyclase_2) 		5 ILE A 207
PHE A 185
ILE A 252
LEU A 210
THR A 205
 None
 1.13A 3s3vA-3nomA:
undetectable		 3s3vA-3nomA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		5 ALA D   7
ILE D  18
LEU D  60
VAL D  39
THR D  43
 None
 1.04A 3s3vA-3ossD:
undetectable		 3s3vA-3ossD:
23.04
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.
3pna CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 163
ALA A 211
PHE A 198
LEU A 221
VAL A 162
 CMP  A 250 ( 4.3A)
CMP  A 250 (-3.8A)
None
None
None
 1.08A 3s3vA-3pnaA:
undetectable		 3s3vA-3pnaA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 ILE B 844
ALA B 903
PHE B 814
LEU B 836
VAL B 846
 None
 1.07A 3s3vA-3prxB:
undetectable		 3s3vA-3prxB:
8.66
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		5 ALA A 577
PHE A 593
ILE A 655
LEU A 608
VAL A 634
 None
 0.83A 3s3vA-3rc3A:
undetectable		 3s3vA-3rc3A:
14.89
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
THR A  86
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
WRA  A 602 (-4.2A)
 0.53A 3s3vA-3rg9A:
21.8		 3s3vA-3rg9A:
29.39
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.
3sy8 ROCR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00563
(EAL) 		5 ILE A 266
ALA A 293
ILE A 248
LEU A 244
VAL A 234
 None
 1.01A 3s3vA-3sy8A:
undetectable		 3s3vA-3sy8A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tnq CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-BETA REGULATORY
SUBUNIT

(Mus musculus) 		PF00027
(cNMP_binding) 		5 ILE A 180
ALA A 232
PHE A 219
LEU A 242
VAL A 179
 None
 1.07A 3s3vA-3tnqA:
undetectable		 3s3vA-3tnqA:
18.49
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.73A 3s3vA-3tq9A:
21.1		 3s3vA-3tq9A:
30.00
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
PHE A  58
THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.56A 3s3vA-3um6A:
22.5		 3s3vA-3um6A:
14.14
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.
3upu ATP-DEPENDENT DNA
HELICASE DDA

(Escherichia
virus T4) 		PF13604
(AAA_30) 		5 ILE A 268
ALA A 389
PHE A 263
ILE A 340
VAL A 297
 None
 1.10A 3s3vA-3upuA:
undetectable		 3s3vA-3upuA:
21.75
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE B 968
ALA B 987
PHE B 941
ILE B 994
VAL B 970
 None
 0.89A 3s3vA-3v0aB:
undetectable		 3s3vA-3v0aB:
10.05
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		5 ILE A 201
ALA A 120
PHE A 353
LEU A 182
VAL A 199
 None
 1.11A 3s3vA-3v7iA:
undetectable		 3s3vA-3v7iA:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  32
THR A  53
ILE A  57
LEU A  64
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.73A 3s3vA-3vcoA:
24.1		 3s3vA-3vcoA:
38.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE A 967
ALA A 986
PHE A 940
ILE A 993
VAL A 969
 None
 0.90A 3s3vA-3vuoA:
undetectable		 3s3vA-3vuoA:
10.84
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
LEU A 389
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 1.11A 3s3vA-4d7sA:
undetectable		 3s3vA-4d7sA:
18.01
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.
4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Tetrahymena
thermophila) 		PF05028
(PARG_cat) 		5 ILE A 324
ALA A 326
GLU A 344
ILE A 395
VAL A 236
 None
APR  A 501 ( 4.6A)
None
None
None
 1.11A 3s3vA-4eppA:
undetectable		 3s3vA-4eppA:
17.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		9 ILE X  10
ALA X  12
GLU X  32
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.51A 3s3vA-4g8zX:
24.7		 3s3vA-4g8zX:
36.89
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ILE A 302
ALA A 309
ILE A 244
LEU A 253
THR A 311
 None
 1.15A 3s3vA-4gfhA:
undetectable		 3s3vA-4gfhA:
10.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
GLU A  32
PHE A  36
THR A  58
ILE A  62
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.64A 3s3vA-4h96A:
21.4		 3s3vA-4h96A:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
GLU A  32
PHE A  36
THR A  58
ILE A  62
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 (-4.2A)
 0.51A 3s3vA-4h98A:
22.1		 3s3vA-4h98A:
38.01
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		5 ILE A 377
ALA A 537
THR A 337
ILE A 335
LEU A 374
 HEC  A 807 ( 4.4A)
None
None
None
None
 0.98A 3s3vA-4lm8A:
undetectable		 3s3vA-4lm8A:
13.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
LEU A  57
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
TMQ  A 202 (-4.2A)
 0.54A 3s3vA-4m2xA:
20.4		 3s3vA-4m2xA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
PHE A  31
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.88A 3s3vA-4m7vA:
20.2		 3s3vA-4m7vA:
32.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.30A 3s3vA-4m7vA:
20.2		 3s3vA-4m7vA:
32.47
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.
4m8k HYPOTHETICAL
PROTEIN, GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Bacteroides
uniformis) 		PF16255
(Lipase_GDSL_lke) 		5 GLU A  74
PHE A  71
ILE A 172
LEU A 119
VAL A 225
 None
 1.12A 3s3vA-4m8kA:
undetectable		 3s3vA-4m8kA:
21.07
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 ILE A 200
ALA A 204
ILE A 126
LEU A 130
THR A 209
 None
 1.14A 3s3vA-4mlcA:
undetectable		 3s3vA-4mlcA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 163
ALA A 211
PHE A 198
LEU A 221
VAL A 162
 CMP  A 401 ( 4.2A)
CMP  A 401 ( 3.8A)
None
None
None
 1.11A 3s3vA-4mx3A:
undetectable		 3s3vA-4mx3A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 ILE A 200
ALA A 166
ILE A 142
LEU A 156
VAL A 170
 None
 1.00A 3s3vA-4my5A:
undetectable		 3s3vA-4my5A:
19.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.37A 3s3vA-4p68A:
20.6		 3s3vA-4p68A:
32.45
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.
4pw8 TRYPTOPHAN
2,3-DIOXYGENASE

(Homo sapiens) 		PF03301
(Trp_dioxygenase) 		5 ILE A 121
PHE A 158
ILE A 165
LEU A  90
VAL A 118
 None
 0.99A 3s3vA-4pw8A:
undetectable		 3s3vA-4pw8A:
19.09
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster) 		PF07034
(ORC3_N) 		5 ALA C 248
GLU C 213
ILE C 224
LEU C 238
THR C 244
 None
 0.99A 3s3vA-4xgcC:
undetectable		 3s3vA-4xgcC:
16.11
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.
4z8x ATP-DEPENDENT ZINC
METALLOPROTEASE FTSH

(Aquifex
aeolicus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 ILE A 171
PHE A 154
ILE A 160
LEU A 204
VAL A 167
 None
 1.11A 3s3vA-4z8xA:
undetectable		 3s3vA-4z8xA:
18.76
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.
5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 ILE A 276
PHE A 267
ILE A 434
LEU A 317
VAL A 279
 None
 1.14A 3s3vA-5aq1A:
undetectable		 3s3vA-5aq1A:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dem ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ILE A 125
ILE A 173
LEU A 149
VAL A 143
THR A 105
 None
 0.83A 3s3vA-5demA:
undetectable		 3s3vA-5demA:
22.09
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.67A 3s3vA-5dxvA:
12.4		 3s3vA-5dxvA:
27.84
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A   7
GLU A  27
PHE A  31
LYS A  32
THR A  46
LEU A  53
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
5N1  A 202 (-2.9A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
 0.92A 3s3vA-5ecxA:
20.3		 3s3vA-5ecxA:
27.57
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A   7
GLU A  27
PHE A  31
LYS A  32
THR A  46
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
5N1  A 202 (-2.9A)
NAP  A 201 (-3.2A)
None
 0.47A 3s3vA-5ecxA:
20.3		 3s3vA-5ecxA:
27.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.54A 3s3vA-5fdaA:
14.6		 3s3vA-5fdaA:
31.96
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.
5fmr INTRAFLAGELLAR
TRANSPORT PROTEIN
COMPONENT IFT52

(Chlamydomonas
reinhardtii) 		PF09822
(ABC_transp_aux) 		5 ILE A  62
PHE A 248
PHE A 249
LEU A  34
VAL A  64
 None
 1.04A 3s3vA-5fmrA:
undetectable		 3s3vA-5fmrA:
23.51
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 ILE A 538
PHE A 544
ILE A 436
LEU A 449
VAL A 463
 None
 1.10A 3s3vA-5h42A:
undetectable		 3s3vA-5h42A:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.07A 3s3vA-5husA:
2.9		 3s3vA-5husA:
22.15
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.
5hxz BARBITURASE

(Rhodococcus
erythropolis) 		PF09663
(Amido_AtzD_TrzD) 		5 ILE A  90
THR A 339
ILE A 269
LEU A 298
VAL A 344
 None
 1.06A 3s3vA-5hxzA:
undetectable		 3s3vA-5hxzA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		6 ILE A 372
PHE A 370
ILE A 261
LEU A 293
VAL A 281
THR A 351
 None
 1.44A 3s3vA-5j78A:
undetectable		 3s3vA-5j78A:
16.56
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.
5jr7 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE B 163
ALA B 211
PHE B 198
LEU B 221
VAL B 162
 None
 1.03A 3s3vA-5jr7B:
undetectable		 3s3vA-5jr7B:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jrl DIPEPTIDYL
AMINOPEPTIDASES/ACYL
AMINOACYL-PEPTIDASES
-LIKE PROTEIN

(Sphingopyxis
alaskensis) 		PF00326
(Peptidase_S9) 		5 ILE A 555
ALA A 577
PHE A 575
ILE A 548
VAL A 458
 None
 1.13A 3s3vA-5jrlA:
undetectable		 3s3vA-5jrlA:
13.38
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
PHE A  32
PHE A  35
THR A  83
LEU A  94
VAL A 151
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
73X  A 704 ( 3.8A)
None
73X  A 704 (-4.2A)
 0.54A 3s3vA-5t0lA:
24.4		 3s3vA-5t0lA:
16.20
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 340
ILE A 336
LEU A 244
VAL A 387
THR A 317
 NAD  A 501 (-4.4A)
None
None
None
NAD  A 501 (-4.1A)
 1.10A 3s3vA-5v96A:
undetectable		 3s3vA-5v96A:
17.60
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 ILE A 533
PHE A 554
THR A 586
ILE A 584
VAL A 536
 None
 1.03A 3s3vA-5ve8A:
undetectable		 3s3vA-5ve8A:
11.64
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.
5wut ULAM111

(Flavobacterium
sp.) 		no annotation 5 ALA A  87
PHE A  13
THR A  74
ILE A  72
LEU A  18
 None
 1.13A 3s3vA-5wutA:
undetectable		 3s3vA-5wutA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x4b GTPASE DER

(Bacillus
subtilis) 		PF01926
(MMR_HSR1) 		5 PHE A  88
THR A  97
LEU A 136
VAL A  90
THR A  58
 None
 1.11A 3s3vA-5x4bA:
undetectable		 3s3vA-5x4bA:
21.36
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
THR A 362
ILE A 366
 None
 1.05A 3s3vA-6aonA:
undetectable		 3s3vA-6aonA:
16.60
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.53A 3s3vA-6cxmA:
20.0		 3s3vA-6cxmA:
21.47
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.
6e4e -

(-) 		no annotation 5 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.93A 3s3vA-6e4eA:
20.3		 3s3vA-6e4eA:
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L 404
ALA L 266
ILE L 186
LEU L 134
VAL L 260
 None
 1.07A 3s3vA-6ehsL:
undetectable		 3s3vA-6ehsL:
16.67