SIMILAR PATTERNS OF AMINO ACIDS FOR 3K2H_A_LYAA514

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.
1a21 TISSUE FACTOR

(Oryctolagus
cuniculus) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		5 ALA A 143
PHE A  17
LEU A 141
LEU A 106
LEU A 149
 None
 1.15A 3k2hA-1a21A:
undetectable		 3k2hA-1a21A:
19.56
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  27
ARG A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
 None
None
None
SO4  A 200 (-3.7A)
None
None
None
 0.88A 3k2hA-1cz3A:
18.1		 3k2hA-1cz3A:
16.87
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 (-3.5A)
None
None
None
None
 0.70A 3k2hA-1dr6A:
24.5		 3k2hA-1dr6A:
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.
1gji C-REL PROTO-ONCOGENE
PROTEIN

(Gallus gallus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 ALA A  31
LEU A  78
ILE A 174
LEU A 149
LEU A 104
 None
 1.05A 3k2hA-1gjiA:
undetectable		 3k2hA-1gjiA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 PHE B 307
LEU B 282
ARG B 311
ILE B  23
LEU B 156
 None
 1.09A 3k2hA-1h4vB:
undetectable		 3k2hA-1h4vB:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i5g TRYPAREDOXIN II

(Crithidia
fasciculata) 		PF13905
(Thioredoxin_8) 		5 ALA A  19
ASP A  21
LEU A  27
LEU A  88
TYR A  82
 None
 1.04A 3k2hA-1i5gA:
undetectable		 3k2hA-1i5gA:
15.38
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.
1ldk CULLIN HOMOLOG

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		5 ALA B 656
THR B 667
ILE B 669
LEU B 640
LEU B 663
 None
 1.02A 3k2hA-1ldkB:
undetectable		 3k2hA-1ldkB:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7f CAMP-DEPENDENT RAP1
GUANINE-NUCLEOTIDE
EXCHANGE FACTOR

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP) 		5 ALA A  85
LEU A 135
ARG A 137
ILE A  68
LEU A  88
 None
 1.15A 3k2hA-1o7fA:
undetectable		 3k2hA-1o7fA:
23.56
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 136
LEU A 153
ARG A  14
ILE A  99
LEU A  15
 None
 1.08A 3k2hA-1ovmA:
undetectable		 3k2hA-1ovmA:
22.45
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ALA A   9
PHE A  31
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.68A 3k2hA-1u70A:
23.9		 3k2hA-1u70A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
None
 0.45A 3k2hA-1u71A:
24.3		 3k2hA-1u71A:
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.
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		6 ASP A 109
LEU A 112
ARG A 115
ILE A   5
LEU A  51
LEU A  18
 None
 1.48A 3k2hA-1w25A:
undetectable		 3k2hA-1w25A:
22.48
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.
1xa6 BETA2-CHIMAERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		5 LEU A 458
THR A 366
ILE A 362
LEU A 401
LEU A 390
 None
 1.11A 3k2hA-1xa6A:
undetectable		 3k2hA-1xa6A:
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.85A 3k2hA-1zdrA:
21.2		 3k2hA-1zdrA:
17.85
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.57A 3k2hA-2blbA:
24.3		 3k2hA-2blbA:
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN

(Homo sapiens) 		PF00128
(Alpha-amylase) 		5 ALA A 137
PHE A 132
LEU A 129
LEU A 160
LEU A 140
 None
 0.91A 3k2hA-2dh3A:
undetectable		 3k2hA-2dh3A:
21.98
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.
2gmu PUTATIVE
PYRIDOXAMINE
5-PHOSPHATE-DEPENDEN
T DEHYDRASE, WBDK

(Escherichia
coli) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A 335
ILE A 333
SER A 305
LEU A 136
TYR A  92
 None
 0.94A 3k2hA-2gmuA:
undetectable		 3k2hA-2gmuA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
ASP A  48
ARG A  53
THR A  80
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.83A 3k2hA-2h2qA:
38.8		 3k2hA-2h2qA:
39.70
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.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 5 ALA A  76
ASP A  73
LEU A 109
ARG A 154
ILE A 102
 None
 1.16A 3k2hA-2invA:
undetectable		 3k2hA-2invA:
22.70
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.
2izo FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Sulfolobus
solfataricus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 LEU A 223
THR A 232
ILE A 230
LEU A   3
LEU A 175
 None
 1.16A 3k2hA-2izoA:
undetectable		 3k2hA-2izoA:
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.
2o1e YCDH

(Bacillus
subtilis) 		PF01297
(ZnuA) 		5 ALA A 244
LEU A 252
ILE A 189
LEU A 226
LEU A 212
 None
 1.11A 3k2hA-2o1eA:
undetectable		 3k2hA-2o1eA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
ASP A  32
THR A  58
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.57A 3k2hA-2oipA:
43.6		 3k2hA-2oipA:
46.36
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.61A 3k2hA-2qk8A:
21.6		 3k2hA-2qk8A:
13.87
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.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		5 PHE A 290
LEU A 256
ILE A 207
LEU A 264
LEU A 254
 None
 1.01A 3k2hA-2r9qA:
undetectable		 3k2hA-2r9qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uwj TYPE III EXPORT
PROTEIN PSCE
TYPE III EXPORT
PROTEIN PSCG

(Pseudomonas
aeruginosa) 		PF08988
(T3SS_needle_E)
PF09477
(Type_III_YscG) 		5 ASP G   2
LEU G   5
ARG G   7
ILE G  28
LEU E  27
 None
 1.12A 3k2hA-2uwjG:
undetectable		 3k2hA-2uwjG:
13.27
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 133
LEU A 150
ARG A  11
ILE A  96
LEU A  12
 ALA  A 133 ( 0.0A)
LEU  A 150 ( 0.5A)
ARG  A  11 ( 0.6A)
ILE  A  96 ( 0.6A)
LEU  A  12 ( 0.6A)
 1.11A 3k2hA-2vbfA:
undetectable		 3k2hA-2vbfA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ASP A  31
THR A  50
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.67A 3k2hA-2w3wA:
21.9		 3k2hA-2w3wA:
15.98
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.69A 3k2hA-2w9sA:
21.6		 3k2hA-2w9sA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xh1 KYNURENINE/ALPHA-AMI
NOADIPATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 LEU A 417
ILE A 363
SER A 424
LEU A 369
LEU A 398
 None
 1.13A 3k2hA-2xh1A:
undetectable		 3k2hA-2xh1A:
23.26
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 ALA A 437
PHE A 464
LEU A 466
ARG A 500
ILE A 493
 None
 1.09A 3k2hA-2yjqA:
undetectable		 3k2hA-2yjqA:
21.45
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.
2yz2 PUTATIVE ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0222

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 ASP A 219
LEU A  28
THR A 190
ILE A 192
LEU A  50
 None
 1.14A 3k2hA-2yz2A:
undetectable		 3k2hA-2yz2A:
20.47
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
THR A  45
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.62A 3k2hA-3dfrA:
22.4		 3k2hA-3dfrA:
15.98
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ARG A  59
ILE A 112
LEU A 119
LEU A 164
TYR A 170
 RJ6  A 609 (-3.7A)
None
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
RJ6  A 609 ( 4.1A)
NDP  A 610 ( 4.9A)
 1.24A 3k2hA-3dg8A:
24.7		 3k2hA-3dg8A:
22.53
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
ASP A  54
ILE A 112
LEU A 119
ARG A 122
LEU A 164
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.1A)
NDP  A 610 ( 4.9A)
 0.69A 3k2hA-3dg8A:
24.7		 3k2hA-3dg8A:
22.53
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 ALA A 112
PHE A 204
THR A 200
ILE A  88
SER A 234
LEU A 139
 None
 1.10A 3k2hA-3emvA:
undetectable		 3k2hA-3emvA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f83 FUSION OF THE MINOR
PILIN CFAE AND MAJOR
PILIN CFAB

(Escherichia
coli) 		PF04449
(Fimbrial_CS1)
PF07434
(CblD) 		5 ALA A 427
LEU A 505
ILE A 483
LEU A 481
LEU A 453
 None
 1.15A 3k2hA-3f83A:
undetectable		 3k2hA-3f83A:
20.68
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.
3f85 HOMO TRIMERIC FUSION
OF CFA/I FIMBRIAL
SUBUNITS B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 ALA A  50
LEU A 128
ILE A 106
LEU A 104
LEU A  76
 None
 1.10A 3k2hA-3f85A:
undetectable		 3k2hA-3f85A:
20.04
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.
3f85 HOMO TRIMERIC FUSION
OF CFA/I FIMBRIAL
SUBUNITS B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 ALA A 201
LEU A 279
ILE A 257
LEU A 255
LEU A 227
 None
 1.13A 3k2hA-3f85A:
undetectable		 3k2hA-3f85A:
20.04
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 ALA A  51
PHE A 101
LEU A 104
ILE A 113
LEU A 171
LEU A 145
 None
 1.44A 3k2hA-3fjoA:
3.0		 3k2hA-3fjoA:
22.35
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
THR X  46
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
 0.82A 3k2hA-3i8aX:
21.5		 3k2hA-3i8aX:
16.77
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 ( 3.7A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.73A 3k2hA-3ia4A:
21.8		 3k2hA-3ia4A:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7a 40S RIBOSOMAL
PROTEIN US5

(Plasmodium
falciparum) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ALA G 115
ILE G 179
SER G 210
LEU G 181
LEU G 230
 None
 1.01A 3k2hA-3j7aG:
undetectable		 3k2hA-3j7aG:
19.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  16
ASP A  37
LEU A  41
THR A  69
LEU A  80
ARG A  83
LEU A 123
TYR A 129
 NAP  A 512 (-3.7A)
None
None
NAP  A 512 (-3.6A)
None
None
None
None
 0.31A 3k2hA-3kjrA:
52.9		 3k2hA-3kjrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  16
LEU A  41
THR A  69
ILE A  73
LEU A  80
ARG A  83
LEU A 123
TYR A 129
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
None
 0.65A 3k2hA-3kjrA:
52.9		 3k2hA-3kjrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LEU A  41
ARG A  42
THR A  69
ILE A  73
LEU A  80
ARG A  83
LEU A 123
TYR A 129
 None
None
NAP  A 512 (-3.6A)
None
None
None
None
None
 0.88A 3k2hA-3kjrA:
52.9		 3k2hA-3kjrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 THR A  69
ILE A  73
SER A  77
LEU A  80
TYR A 129
 NAP  A 512 (-3.6A)
None
None
None
None
 0.84A 3k2hA-3kjrA:
52.9		 3k2hA-3kjrA:
100.00
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.
3kzg ARGININE 3RD
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN

(Legionella
pneumophila) 		PF00497
(SBP_bac_3) 		5 ALA A 213
LEU A 220
ILE A  53
LEU A  57
LEU A  21
 None
 0.99A 3k2hA-3kzgA:
undetectable		 3k2hA-3kzgA:
20.12
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.
3mil ISOAMYL
ACETATE-HYDROLYZING
ESTERASE

(Saccharomyces
cerevisiae) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 203
ILE A  46
LEU A   8
LEU A  32
TYR A  30
 None
 1.00A 3k2hA-3milA:
undetectable		 3k2hA-3milA:
20.12
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.
3nhz TWO COMPONENT SYSTEM
TRANSCRIPTIONAL
REGULATOR MTRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg) 		5 LEU A 112
ARG A 115
THR A  32
ILE A   8
LEU A  21
 None
 1.03A 3k2hA-3nhzA:
2.1		 3k2hA-3nhzA:
14.40
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.
3o47 ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1,
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		PF00025
(Arf)
PF01412
(ArfGap) 		5 LEU A 237
ARG A 234
ILE A 285
LEU A 275
LEU A 251
 None
 1.08A 3k2hA-3o47A:
undetectable		 3k2hA-3o47A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o5v X-PRO DIPEPTIDASE

(Streptococcus
pyogenes) 		PF01321
(Creatinase_N) 		5 ALA A  99
PHE A  43
ILE A 115
LEU A  89
LEU A  18
 None
None
None
None
GOL  A 132 ( 4.7A)
 1.09A 3k2hA-3o5vA:
undetectable		 3k2hA-3o5vA:
15.14
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.
3q75 FARNESYLTRANSFERASE
BETA SUBUNIT

(Cryptococcus
neoformans) 		PF00432
(Prenyltrans) 		5 ALA B 151
PHE B  93
THR B 498
LEU B 101
LEU B 504
 None
 1.05A 3k2hA-3q75B:
undetectable		 3k2hA-3q75B:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp5 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		5 LEU A  40
ARG A  74
SER A 152
LEU A  58
LEU A  44
 None
 1.16A 3k2hA-3qp5A:
undetectable		 3k2hA-3qp5A:
19.77
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
ARG A  59
THR A  86
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
NDP  A 601 ( 3.2A)
None
None
None
 0.64A 3k2hA-3rg9A:
22.6		 3k2hA-3rg9A:
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
THR A  47
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.64A 3k2hA-3tq9A:
22.0		 3k2hA-3tq9A:
17.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
THR A 108
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
 0.55A 3k2hA-3um6A:
42.5		 3k2hA-3um6A:
44.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.69A 3k2hA-3um6A:
42.5		 3k2hA-3um6A:
44.73
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
THR A  53
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.55A 3k2hA-3vcoA:
20.9		 3k2hA-3vcoA:
20.50
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.
4a39 METALLO-CARBOXYPEPTI
DASE

(Pseudomonas
aeruginosa) 		PF00246
(Peptidase_M14) 		5 LEU A 364
ARG A 186
ILE A 181
LEU A 184
LEU A 201
 None
 1.09A 3k2hA-4a39A:
undetectable		 3k2hA-4a39A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 ASP A 363
ILE A 320
SER A 297
LEU A 322
LEU A 480
 None
 1.16A 3k2hA-4a5qA:
undetectable		 3k2hA-4a5qA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8a POLY(A) RIBONUCLEASE
POP2

(Saccharomyces
cerevisiae) 		PF04857
(CAF1) 		5 ASP B 199
LEU B 200
ILE B 207
LEU B 261
LEU B 232
 None
 0.91A 3k2hA-4b8aB:
undetectable		 3k2hA-4b8aB:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		5 ASP A  48
LEU A  47
THR A 178
LEU A  72
LEU A  55
 None
 1.12A 3k2hA-4dn7A:
undetectable		 3k2hA-4dn7A:
22.98
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.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		6 ALA A  85
LEU A 135
ARG A 137
ILE A  68
LEU A  70
LEU A  88
 None
 1.22A 3k2hA-4f7zA:
undetectable		 3k2hA-4f7zA:
19.01
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.
4fho INTERNALIN C2

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 ALA A 205
LEU A 226
ILE A 220
LEU A 237
LEU A 213
 None
 1.14A 3k2hA-4fhoA:
undetectable		 3k2hA-4fhoA:
19.63
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.72A 3k2hA-4g8zX:
23.6		 3k2hA-4g8zX:
18.26
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		6 ALA A  11
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
 0.87A 3k2hA-4h96A:
20.3		 3k2hA-4h96A:
18.32
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ALA A  11
ARG A  37
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
None
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
None
 0.75A 3k2hA-4h98A:
21.0		 3k2hA-4h98A:
18.74
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.
4jej GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Flavobacterium
johnsoniae) 		PF01884
(PcrB) 		5 ASP A  39
LEU A  38
ILE A  53
LEU A  28
LEU A  68
 None
 1.16A 3k2hA-4jejA:
undetectable		 3k2hA-4jejA:
20.55
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
ARG A  32
THR A  46
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
NDP  A 201 (-3.4A)
None
None
None
 0.86A 3k2hA-4m2xA:
21.1		 3k2hA-4m2xA:
15.40
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
LEU A  55
ARG A  58
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.63A 3k2hA-4m7vA:
21.1		 3k2hA-4m7vA:
14.96
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.
4ozt RETINOID X RECEPTOR

(Pediculus
humanus) 		PF00104
(Hormone_recep) 		5 ALA U 245
LEU U 358
ARG U 359
ILE U 278
LEU U 286
 None
 1.16A 3k2hA-4oztU:
undetectable		 3k2hA-4oztU:
18.31
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
THR A  46
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.73A 3k2hA-4p68A:
21.7		 3k2hA-4p68A:
15.18
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.
4trb PURINE
PHOSPHORIBOSYLTRANSF
ERASE (GPT-1)

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		5 PHE A 184
LEU A 180
ARG A 170
LEU A 167
LEU A 201
 None
 1.08A 3k2hA-4trbA:
undetectable		 3k2hA-4trbA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 337
PHE A 258
LEU A 261
ARG A 262
LEU A 289
 None
 1.13A 3k2hA-4x28A:
undetectable		 3k2hA-4x28A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		5 ALA A 463
ILE A 441
SER A 445
LEU A 456
LEU A 431
 SEP  A 474 ( 4.1A)
None
MG  A 603 ( 4.0A)
None
None
 1.06A 3k2hA-4xbrA:
undetectable		 3k2hA-4xbrA:
21.94
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.
4xhc ALPHA-L-RHAMNOSIDASE

(Klebsiella
oxytoca) 		PF17389
(Bac_rhamnosid6H) 		5 ALA A 419
LEU A 384
LEU A 320
ARG A 380
LEU A 359
 None
 1.14A 3k2hA-4xhcA:
undetectable		 3k2hA-4xhcA:
21.31
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.
4y2l CFA/I FIMBRIAL
SUBUNIT B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 ALA A  63
LEU A 141
ILE A 119
LEU A 117
LEU A  89
 None
 0.99A 3k2hA-4y2lA:
undetectable		 3k2hA-4y2lA:
15.77
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.
5a65 THIAMINE
TRIPHOSPHATASE

(Mus musculus) 		PF01928
(CYTH) 		5 ALA A  87
LEU A  64
SER A  50
LEU A  47
LEU A  92
 None
 1.16A 3k2hA-5a65A:
undetectable		 3k2hA-5a65A:
19.60
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 552
LEU A 309
THR A 570
LEU A 367
LEU A 566
 None
 1.14A 3k2hA-5b7iA:
undetectable		 3k2hA-5b7iA:
18.00
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.
5cml OSMC FAMILY PROTEIN

(Rhodothermus
marinus) 		PF12146
(Hydrolase_4) 		5 ALA A 117
ARG A 141
THR A  83
LEU A 144
LEU A 110
 None
 1.04A 3k2hA-5cmlA:
undetectable		 3k2hA-5cmlA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ALA A   6
THR A  63
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
 1.10A 3k2hA-5dxvA:
13.1		 3k2hA-5dxvA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.63A 3k2hA-5dxvA:
13.1		 3k2hA-5dxvA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 101
 None
 1.09A 3k2hA-5fdaA:
14.9		 3k2hA-5fdaA:
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.
5j04 ENOLASE

(Synechococcus
elongatus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ASP A  95
LEU A 346
ILE A 353
LEU A 380
LEU A 138
 None
 1.00A 3k2hA-5j04A:
undetectable		 3k2hA-5j04A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 LEU B 135
ILE B 293
SER A 187
LEU A 138
LEU A 297
 None
 1.11A 3k2hA-5j1lB:
undetectable		 3k2hA-5j1lB:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N)
PF06444
(NADH_dehy_S2_C) 		5 ALA M 124
PHE N 260
LEU N 254
THR M 153
LEU M 150
 None
 1.16A 3k2hA-5lc5M:
undetectable		 3k2hA-5lc5M:
21.38
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.
5oc9 -

(-) 		no annotation 5 LEU A  23
ILE A 143
SER A 164
LEU A 161
LEU A  35
 None
 1.11A 3k2hA-5oc9A:
undetectable		 3k2hA-5oc9A:
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.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT

(Homo sapiens) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 LEU B 567
ILE B 535
SER B 528
LEU B 524
LEU B 597
 None
 1.15A 3k2hA-5of4B:
undetectable		 3k2hA-5of4B:
21.35
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.
5oqj RNA POLYMERASE II
TRANSCRIPTION FACTOR
B SUBUNIT 1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA 1  50
LEU 1  62
ILE 1  16
LEU 1  27
LEU 1 104
 None
 1.12A 3k2hA-5oqj1:
undetectable		 3k2hA-5oqj1:
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.
5oqm GENERAL
TRANSCRIPTION AND
DNA REPAIR FACTOR
IIH SUBUNIT TFB1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA 1  50
LEU 1  62
ILE 1  16
LEU 1  27
LEU 1 104
 None
 1.12A 3k2hA-5oqm1:
undetectable		 3k2hA-5oqm1:
11.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
ASP A  31
PHE A  32
THR A  83
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.7A)
NDP  A 702 (-3.2A)
None
None
None
 0.37A 3k2hA-5t0lA:
45.9		 3k2hA-5t0lA:
42.73
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.
5uqd DUMPY: SHORTER THAN
WILD-TYPE

(Caenorhabditis
elegans) 		no annotation 5 LEU A1227
ARG A1276
THR A1249
ILE A1251
LEU A1287
 None
PG0  A1704 (-3.8A)
None
None
None
 1.00A 3k2hA-5uqdA:
undetectable		 3k2hA-5uqdA:
22.40
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.
5wc2 PACHYTENE CHECKPOINT
PROTEIN 2 HOMOLOG

(Homo sapiens) 		no annotation 5 ASP A 285
LEU A 281
THR A 297
ILE A 251
LEU A 257
 None
 1.12A 3k2hA-5wc2A:
undetectable		 3k2hA-5wc2A:
9.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wm9 RV0078

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 166
THR A 138
ILE A  93
LEU A 151
LEU A 159
 ALA  A 166 ( 0.0A)
THR  A 138 ( 0.8A)
ILE  A  93 ( 0.7A)
LEU  A 151 ( 0.6A)
LEU  A 159 ( 0.6A)
 1.13A 3k2hA-5wm9A:
undetectable		 3k2hA-5wm9A:
9.98
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.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 5 ASP A 226
LEU A  31
THR A 198
ILE A 200
LEU A  56
 None
 1.08A 3k2hA-5ws4A:
undetectable		 3k2hA-5ws4A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk5 UBIQUITIN LIGASE CBL

(Salpingoeca
rosetta) 		no annotation 5 ALA A 243
LEU A 276
ILE A 211
LEU A 281
LEU A 228
 None
 1.13A 3k2hA-6bk5A:
undetectable		 3k2hA-6bk5A:
11.22
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.54A 3k2hA-6cxmA:
20.9		 3k2hA-6cxmA:
7.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dex SUPPRESSOR OF
HYDROXYUREA
SENSITIVITY PROTEIN
2

(Eremothecium
gossypii) 		no annotation 5 ALA B  42
PHE B  34
LEU B  30
THR B 166
LEU B  15
 None
 1.14A 3k2hA-6dexB:
undetectable		 3k2hA-6dexB:
10.10
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.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.78A 3k2hA-6e4eA:
21.4		 3k2hA-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.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA U 170
ILE U 200
SER U  73
LEU U 196
LEU U 175
 None
 1.13A 3k2hA-6ezmU:
undetectable		 3k2hA-6ezmU:
10.06