SIMILAR PATTERNS OF AMINO ACIDS FOR 1J3J_A_CP6A609_1

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.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 ILE A   4
ALA A 240
ILE A  13
ILE A   6
THR A 241
 None
None
NAD  A 380 (-3.6A)
None
None
 1.28A 1j3jA-1bxkA:
0.9		 1j3jA-1bxkA:
18.66
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  27
PHE A  31
ILE A  51
ILE A 100
THR A 121
 None
 0.62A 1j3jA-1cz3A:
17.6		 1j3jA-1cz3A:
21.43
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.39A 1j3jA-1dr6A:
22.7		 1j3jA-1dr6A:
26.69
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ILE A 330
ALA A 192
ASP A 191
PHE A 184
ILE A 153
 None
 1.32A 1j3jA-1ex0A:
undetectable		 1j3jA-1ex0A:
16.41
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.
1f0i PHOSPHOLIPASE D

(Streptomyces
sp. PMF) 		PF13091
(PLDc_2) 		5 ILE A 393
ALA A 346
ILE A 339
ILE A 399
THR A 347
 None
 1.29A 1j3jA-1f0iA:
undetectable		 1j3jA-1f0iA:
19.48
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.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		5 ASP A 338
PHE A 335
SER A 346
ILE A 400
ILE A 369
 None
 1.32A 1j3jA-1f8rA:
undetectable		 1j3jA-1f8rA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k77 HYPOTHETICAL PROTEIN
YGBM

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 ILE A 164
ALA A 120
PHE A 122
ILE A  87
ILE A 126
 None
 1.20A 1j3jA-1k77A:
0.0		 1j3jA-1k77A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		5 ILE A 328
ALA A  78
SER A 140
ILE A 167
ILE A 324
 None
 1.31A 1j3jA-1l8wA:
undetectable		 1j3jA-1l8wA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6m ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 ALA A   7
ASP A  11
ILE A 129
ILE A   4
THR A   8
 None
 1.19A 1j3jA-1u6mA:
0.0		 1j3jA-1u6mA:
19.35
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
ILE A  60
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.2A)
None
MTX  A 187 (-4.4A)
 0.47A 1j3jA-1u70A:
22.3		 1j3jA-1u70A:
27.05
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
SER A  59
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
None
MTX  A 187 (-4.4A)
 0.64A 1j3jA-1u70A:
22.3		 1j3jA-1u70A:
27.05
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.38A 1j3jA-1u71A:
23.0		 1j3jA-1u71A:
25.09
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		5 ILE A  31
ASP A  61
ILE A  95
ILE A  69
THR A  27
 None
 1.30A 1j3jA-1ydoA:
undetectable		 1j3jA-1ydoA:
19.34
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.
1z4e TRANSCRIPTIONAL
REGULATOR

(Bacillus
halodurans) 		PF00583
(Acetyltransf_1) 		5 ALA A  10
ASP A  14
ILE A 102
ILE A   7
THR A  11
 None
 1.17A 1j3jA-1z4eA:
undetectable		 1j3jA-1z4eA:
15.44
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.46A 1j3jA-1zdrA:
20.6		 1j3jA-1zdrA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
PHE A  57
SER A 117
ILE A 121
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 1.37A 1j3jA-2blbA:
31.5		 1j3jA-2blbA:
54.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
ASP A  53
PHE A  57
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.33A 1j3jA-2blbA:
31.5		 1j3jA-2blbA:
54.09
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.
2eeo ASPARTATE
1-DECARBOXYLASE

(Thermus
thermophilus) 		PF02261
(Asp_decarbox) 		5 ILE B  71
ASP B  48
ASN B 112
ILE A  10
ILE B  69
 None
 1.30A 1j3jA-2eeoB:
undetectable		 1j3jA-2eeoB:
14.81
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 ILE A 369
ASN A 258
SER A 109
ILE A 143
ILE A 116
 None
 1.30A 1j3jA-2g28A:
undetectable		 1j3jA-2g28A:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gza TYPE IV SECRETION
SYSTEM PROTEIN
VIRB11

(Brucella suis) 		PF00437
(T2SSE) 		5 ILE A 208
ALA A 242
SER A 275
ILE A 256
THR A 240
 None
 1.32A 1j3jA-2gzaA:
undetectable		 1j3jA-2gzaA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
ASP A  48
PHE A  52
SER A  83
ILE A  84
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.38A 1j3jA-2h2qA:
11.0		 1j3jA-2h2qA:
22.20
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.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 5 ILE A  81
ALA A  99
ILE A 153
ILE A  78
THR A  54
 None
 1.18A 1j3jA-2invA:
undetectable		 1j3jA-2invA:
19.17
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.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 278
ALA A 283
PHE A 254
ILE A 125
THR A 282
 None
 1.28A 1j3jA-2jamA:
undetectable		 1j3jA-2jamA:
22.96
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 279
ALA A 284
PHE A 255
ILE A 125
THR A 283
 None
 1.27A 1j3jA-2jc6A:
undetectable		 1j3jA-2jc6A:
22.22
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ILE A1222
ALA A1355
ASP A1351
ILE A1403
ILE A1386
 None
 1.15A 1j3jA-2nlkA:
2.4		 1j3jA-2nlkA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A  32
PHE A  36
SER A  61
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.46A 1j3jA-2oipA:
9.8		 1j3jA-2oipA:
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.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		5 ALA A 123
ASP A 121
PHE A  70
ILE A  64
ILE A 139
 None
 1.33A 1j3jA-2qdlA:
undetectable		 1j3jA-2qdlA:
20.44
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.
2qv6 GTP CYCLOHYDROLASE
III

(Methanocaldococcus
jannaschii) 		PF05165
(GCH_III) 		5 ILE A  64
ALA A  44
PHE A  42
SER A  75
ILE A  76
 None
 1.24A 1j3jA-2qv6A:
undetectable		 1j3jA-2qv6A:
24.69
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.
2vrt RIBONUCLEASE E

(Escherichia
coli) 		PF00575
(S1)
PF10150
(RNase_E_G) 		5 ILE A 304
PHE A 347
SER A 377
ILE A 376
ILE A 345
 None
 1.21A 1j3jA-2vrtA:
undetectable		 1j3jA-2vrtA:
19.38
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 ALA A  11
ASP A  31
PHE A  35
SER A  53
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.39A 1j3jA-2w3wA:
8.3		 1j3jA-2w3wA:
23.19
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.76A 1j3jA-2w9sA:
20.6		 1j3jA-2w9sA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 ALA A 265
ASP A 264
PHE A 262
ILE A 431
ILE A 260
 None
 1.11A 1j3jA-2xdrA:
undetectable		 1j3jA-2xdrA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ALA A 144
PHE A 157
ILE A 109
ILE A 153
THR A 175
 SO4  A1422 (-3.2A)
None
None
None
None
 1.21A 1j3jA-2yfqA:
undetectable		 1j3jA-2yfqA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE O 299
ALA O 378
ILE O 394
ILE O 265
TYR O 259
 None
 1.32A 1j3jA-2zf5O:
undetectable		 1j3jA-2zf5O:
20.48
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 ILE A 519
ALA A 574
ASN A 511
ILE A 515
THR A 573
 None
 1.27A 1j3jA-2zj8A:
undetectable		 1j3jA-2zj8A:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ALA A  57
ILE A  21
ILE A 310
TYR A  34
THR A 328
 None
None
None
None
EDO  A 503 (-4.0A)
 1.12A 1j3jA-3b5qA:
undetectable		 1j3jA-3b5qA:
18.62
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 ILE A 291
PHE A 245
SER A 212
ILE A 171
THR A 289
 None
 1.21A 1j3jA-3bilA:
undetectable		 1j3jA-3bilA:
19.78
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
PHE A  30
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.50A 1j3jA-3dfrA:
21.0		 1j3jA-3dfrA:
22.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		9 ILE A  14
ALA A  16
ASP A  54
PHE A  58
ASN A 108
SER A 111
ILE A 112
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.4A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.43A 1j3jA-3dg8A:
36.2		 1j3jA-3dg8A:
99.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4f AMINOGLYCOSIDE
N3-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF02522
(Antibiotic_NAT) 		5 ILE A  17
ASN A 242
SER A   7
ILE A   4
ILE A  41
 None
 1.22A 1j3jA-3e4fA:
undetectable		 1j3jA-3e4fA:
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 ALA A 388
SER A 419
ILE A 416
ILE A 334
THR A 385
 None
 1.24A 1j3jA-3gcwA:
undetectable		 1j3jA-3gcwA:
15.26
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.
3he1 MAJOR EXPORTED HCP3
PROTEIN

(Pseudomonas
aeruginosa) 		PF05638
(T6SS_HCP) 		5 ILE A  17
ALA A  21
ASP A  75
ILE A  96
ILE A   9
 None
 1.21A 1j3jA-3he1A:
undetectable		 1j3jA-3he1A:
19.79
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
ASP X  27
SER X  49
ILE X  50
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.77A 1j3jA-3i8aX:
20.3		 1j3jA-3i8aX:
23.27
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ALA A   8
SER A  50
ILE A  51
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.78A 1j3jA-3ia4A:
20.5		 1j3jA-3ia4A:
25.28
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
PHE A  32
SER A  50
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.46A 1j3jA-3ia4A:
20.5		 1j3jA-3ia4A:
25.28
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		5 ILE A 288
ALA A 223
ILE A 202
ILE A 238
THR A 280
 None
 1.19A 1j3jA-3iauA:
2.6		 1j3jA-3iauA:
22.89
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
SER A  72
ILE A  73
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
 0.40A 1j3jA-3kjrA:
23.3		 1j3jA-3kjrA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		5 ASP A 338
PHE A 335
SER A 346
ILE A 400
ILE A 369
 None
 1.30A 1j3jA-3kveA:
undetectable		 1j3jA-3kveA:
19.44
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.
3kwe CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN

(Thermosynechococcus
elongatus) 		PF00132
(Hexapep) 		5 ALA A  54
SER A  32
ILE A  46
ILE A  74
THR A  58
 None
 1.18A 1j3jA-3kweA:
undetectable		 1j3jA-3kweA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 ILE B 226
PHE B 296
ASN B 305
ILE B 250
TYR B 822
 None
 1.31A 1j3jA-3ohmB:
undetectable		 1j3jA-3ohmB:
14.03
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.
3p02 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 ASP A 227
SER A 201
ILE A 204
TYR A 310
THR A 301
 None
 1.29A 1j3jA-3p02A:
undetectable		 1j3jA-3p02A:
21.66
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 ALA A 253
ASP A 166
ASN A 664
TYR A 594
THR A 252
 None
 1.09A 1j3jA-3pvcA:
undetectable		 1j3jA-3pvcA:
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.
3pz6 LEUCYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00133
(tRNA-synt_1) 		5 ILE A 367
ALA A 373
ASN A 383
ILE A 361
THR A 431
 None
 1.23A 1j3jA-3pz6A:
undetectable		 1j3jA-3pz6A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
PHE A  58
SER A  89
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.31A 1j3jA-3rg9A:
9.2		 1j3jA-3rg9A:
28.05
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  51
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.63A 1j3jA-3tq9A:
20.4		 1j3jA-3tq9A:
24.73
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) 		8 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.33A 1j3jA-3um6A:
36.6		 1j3jA-3um6A:
98.93
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
ASP A  28
PHE A  32
SER A  56
ILE A  57
ILE A 111
TYR A 117
THR A 133
 None
 0.65A 1j3jA-3vcoA:
19.6		 1j3jA-3vcoA:
27.76
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.
3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE

(Delftia sp.
HT23) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 ILE A 265
ALA A 262
ILE A 335
ILE A 275
THR A  10
 None
 1.32A 1j3jA-3wqfA:
undetectable		 1j3jA-3wqfA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a42 ALPHA-N-ACETYLGLUCOS
AMINIDASE FAMILY
PROTEIN

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 ILE A1616
PHE A1604
ASN A1591
ILE A1576
ILE A1550
 None
 0.96A 1j3jA-4a42A:
undetectable		 1j3jA-4a42A:
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.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 ILE A 750
SER A 652
ILE A 524
ILE A 707
TYR A 727
 None
 1.22A 1j3jA-4am6A:
undetectable		 1j3jA-4am6A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eze HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Salmonella
enterica) 		PF12710
(HAD) 		5 ILE A 263
PHE A  77
ASN A 280
SER A  69
ILE A 279
 None
 1.13A 1j3jA-4ezeA:
3.2		 1j3jA-4ezeA:
20.18
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.
4f6a BH1408 PROTEIN

(Bacillus
halodurans) 		PF00583
(Acetyltransf_1) 		5 ALA A   6
ASP A  10
ILE A 105
ILE A   3
THR A   7
 None
None
UNL  A 501 ( 4.7A)
None
None
 1.30A 1j3jA-4f6aA:
undetectable		 1j3jA-4f6aA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 276
ALA A 281
PHE A 252
ILE A 122
THR A 280
 None
 1.22A 1j3jA-4fg8A:
undetectable		 1j3jA-4fg8A:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.53A 1j3jA-4g8zX:
22.0		 1j3jA-4g8zX:
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 389
ALA A 325
SER A 432
ILE A 431
ILE A 462
 None
 1.20A 1j3jA-4h7uA:
undetectable		 1j3jA-4h7uA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 ILE A   9
ALA A  11
PHE A  36
ILE A  62
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.65A 1j3jA-4h96A:
8.8		 1j3jA-4h96A:
27.14
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
SER A  61
ILE A  62
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
14Q  A 202 ( 4.2A)
None
 0.66A 1j3jA-4h96A:
8.8		 1j3jA-4h96A:
27.14
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
SER A  61
ILE A  62
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.52A 1j3jA-4h98A:
8.3		 1j3jA-4h98A:
29.97
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.
4jwp GCN5-RELATED
N-ACETYLTRANSFERASE

(Brucella
abortus) 		PF13420
(Acetyltransf_4) 		5 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.10A 1j3jA-4jwpA:
undetectable		 1j3jA-4jwpA:
18.25
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.
4k4k PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
uniformis) 		PF13149
(Mfa_like_1) 		5 ILE A 169
ALA A 224
PHE A 241
ILE A 274
THR A 219
 None
 0.99A 1j3jA-4k4kA:
undetectable		 1j3jA-4k4kA:
20.38
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.31A 1j3jA-4m2xA:
19.6		 1j3jA-4m2xA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.23A 1j3jA-4m7vA:
20.5		 1j3jA-4m7vA:
24.64
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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
 None
 1.15A 1j3jA-4na3A:
undetectable		 1j3jA-4na3A:
17.77
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 166
ALA A 170
PHE A 150
ILE A 199
ILE A 163
 None
 1.21A 1j3jA-4oc9A:
undetectable		 1j3jA-4oc9A:
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.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		5 ASP A 106
PHE A 129
SER A  57
ILE A  56
ILE A 120
 None
 1.31A 1j3jA-4oetA:
undetectable		 1j3jA-4oetA:
19.96
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.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		5 ILE A 107
PHE A 129
SER A  57
ILE A  56
ILE A 120
 None
 1.24A 1j3jA-4oetA:
undetectable		 1j3jA-4oetA:
19.96
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  50
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.48A 1j3jA-4p68A:
20.9		 1j3jA-4p68A:
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.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
 1.04A 1j3jA-4qx5A:
undetectable		 1j3jA-4qx5A:
19.79
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
 1.14A 1j3jA-4z07A:
undetectable		 1j3jA-4z07A:
21.27
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.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		5 ILE A 173
ALA A 467
ASN A 163
ILE A 115
ILE A 162
 None
 1.21A 1j3jA-5dj4A:
undetectable		 1j3jA-5dj4A:
18.09
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) 		6 ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.68A 1j3jA-5dxvA:
7.5		 1j3jA-5dxvA:
19.93
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.46A 1j3jA-5dxvA:
7.5		 1j3jA-5dxvA:
19.93
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
SER A  50
ILE A  51
TYR A 101
THR A 114
 None
 0.58A 1j3jA-5fdaA:
7.1		 1j3jA-5fdaA:
20.85
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 ILE A 862
ALA A 780
ASN A 874
ILE A 878
ILE A 861
 None
 1.30A 1j3jA-5h42A:
undetectable		 1j3jA-5h42A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9m E3 UBIQUITIN-PROTEIN
LIGASE SIAH2

(Homo sapiens) 		PF03145
(Sina) 		5 ALA A 302
ASP A 300
PHE A 245
ILE A 315
ILE A 210
 None
 1.32A 1j3jA-5h9mA:
undetectable		 1j3jA-5h9mA:
18.51
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 ALA A 357
ASP A 361
PHE A 310
SER A 345
ILE A 306
 None
 1.32A 1j3jA-5i5hA:
3.3		 1j3jA-5i5hA:
17.98
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.
5jpq ES6

(Chaetomium
thermophilum) 		no annotation 5 ILE r 113
ALA r  12
ASN r   4
ILE r   5
THR r  10
 None
None
A  2 162 ( 3.9A)
None
None
 1.28A 1j3jA-5jpqr:
undetectable		 1j3jA-5jpqr:
21.76
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 ALA A 188
PHE A 146
ASN A  90
ILE A 115
ILE A  92
 None
 1.17A 1j3jA-5mtzA:
undetectable		 1j3jA-5mtzA:
16.25
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PHE A  35
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.36A 1j3jA-5t0lA:
23.3		 1j3jA-5t0lA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vf3 CAPSID VERTEX
PROTEIN GP24

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 ILE a  39
ALA a  41
PHE a 271
SER a 265
ILE a 261
 None
 1.17A 1j3jA-5vf3a:
undetectable		 1j3jA-5vf3a:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 ALA A 388
SER A 419
ILE A 416
ILE A 334
THR A 385
 None
 1.20A 1j3jA-5vlhA:
undetectable		 1j3jA-5vlhA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 5 ILE A 114
PHE A 175
ILE A 218
ILE A 153
THR A 116
 None
 1.25A 1j3jA-5wh8A:
undetectable		 1j3jA-5wh8A:
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.
5xbj FLAGELLAR
HOOK-ASSOCIATED
PROTEIN FLGK

(Campylobacter
jejuni) 		no annotation 5 ILE A 391
ASP A 453
PHE A 458
ILE A 441
ILE A 400
 None
 1.25A 1j3jA-5xbjA:
undetectable		 1j3jA-5xbjA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 ILE A 258
SER A 164
ILE A 312
ILE A 170
THR A 191
 None
ADP  A 801 (-3.3A)
None
None
None
 1.28A 1j3jA-5xdrA:
undetectable		 1j3jA-5xdrA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ILE A 247
ALA A 243
ASN A  91
SER A  61
THR A 241
 None
None
LLP  A  63 ( 3.7A)
LLP  A  63 ( 3.1A)
None
 1.29A 1j3jA-5ybwA:
2.6		 1j3jA-5ybwA:
17.84
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.
5yu1 LYSINE
CYCLODEAMINASE

(Streptomyces
pristinaespiralis) 		no annotation 5 ILE A 144
ALA A 208
SER A 130
ILE A 205
THR A 209
 NAD  A 402 ( 4.8A)
NAD  A 402 (-4.4A)
None
None
NAD  A 402 (-4.0A)
 1.29A 1j3jA-5yu1A:
undetectable		 1j3jA-5yu1A:
13.19
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.
6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Enterococcus
faecium) 		no annotation 5 ILE A  45
ALA A  73
SER A  66
ILE A  64
ILE A  44
 None
 1.20A 1j3jA-6cfdA:
undetectable		 1j3jA-6cfdA:
13.57
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.35A 1j3jA-6cxmA:
18.8		 1j3jA-6cxmA:
13.43
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 ILE A 393
ALA A 381
PHE A 453
ILE A 464
ILE A 404
 None
 1.19A 1j3jA-6eotA:
undetectable		 1j3jA-6eotA:
13.07
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.
6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.06A 1j3jA-6ffhA:
undetectable		 1j3jA-6ffhA:
14.18