SIMILAR PATTERNS OF AMINO ACIDS FOR 3CLB_C_TMQC613_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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E) 		PF00073
(Rhv) 		5 VAL 2 211
ILE 2 127
PRO 2 128
LEU 2 158
ILE 2 209
 None
 0.86A 3clbC-1bev2:
undetectable		 3clbC-1bev2:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		8 VAL A   6
ALA A   8
ASP A  27
THR A  47
ILE A  51
LEU A  55
ILE A 100
THR A 121
 None
None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.64A 3clbC-1cz3A:
18.1		 3clbC-1cz3A:
16.50
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ALA A   9
THR A  56
ILE A  60
PRO A  61
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.53A 3clbC-1dr6A:
22.3		 3clbC-1dr6A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		5 ILE A 133
ILE A 111
LEU A 225
ILE A 219
TYR A 152
 None
 0.97A 3clbC-1ehyA:
undetectable		 3clbC-1ehyA:
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 5 ALA Y 447
ILE Y 239
ILE Y 229
LEU Y  64
ILE Y  74
 None
 0.82A 3clbC-1gllY:
undetectable		 3clbC-1gllY:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1in0 YAJQ PROTEIN

(Haemophilus
influenzae) 		PF04461
(DUF520) 		5 ALA A  22
ILE A  48
ILE A  81
PRO A  82
ILE A  66
 None
 0.94A 3clbC-1in0A:
undetectable		 3clbC-1in0A:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 VAL A   5
ASP A  36
THR A  55
LEU A  63
ILE A 127
 None
None
NDP  A 194 (-3.3A)
None
None
 0.94A 3clbC-1juvA:
14.9		 3clbC-1juvA:
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 VAL A   5
ASP A  36
THR A  55
PRO A  60
ILE A 127
 None
None
NDP  A 194 (-3.3A)
None
None
 0.96A 3clbC-1juvA:
14.9		 3clbC-1juvA:
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.
1k6y INTEGRASE

(Human
immunodeficiency
virus 1) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 VAL A 165
ALA A 169
ILE A  73
LEU A 158
ILE A 162
 None
 1.02A 3clbC-1k6yA:
undetectable		 3clbC-1k6yA:
17.92
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.
1u6m ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		6 ALA A   7
ILE A  71
ASP A  11
ILE A 129
ILE A   4
THR A   8
 None
 1.21A 3clbC-1u6mA:
undetectable		 3clbC-1u6mA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ALA A   9
THR A  56
ILE A  60
PRO A  61
LEU A  67
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.53A 3clbC-1u70A:
22.0		 3clbC-1u70A:
18.55
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ALA A   9
THR A  56
ILE A  60
PRO A  61
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
None
MXA  A 187 (-4.3A)
 0.66A 3clbC-1u71A:
21.7		 3clbC-1u71A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 ALA B 137
ILE B 125
ILE B 238
LEU B 252
ILE B 291
 None
 1.04A 3clbC-1y56B:
undetectable		 3clbC-1y56B:
22.74
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.70A 3clbC-1zdrA:
18.9		 3clbC-1zdrA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ALA A  15
ASP A  53
ILE A 121
PRO A 122
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.48A 3clbC-2blbA:
20.7		 3clbC-2blbA:
17.94
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 MET A  54
ILE A 121
PRO A 122
LEU A 128
ILE A 173
 MES  A1241 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.76A 3clbC-2blbA:
20.7		 3clbC-2blbA:
17.94
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.
2deo 441AA LONG
HYPOTHETICAL NFED
PROTEIN

(Pyrococcus
horikoshii) 		PF00574
(CLP_protease) 		5 VAL A  24
ALA A  48
ILE A  45
ILE A  86
ILE A  57
 None
 1.03A 3clbC-2deoA:
undetectable		 3clbC-2deoA:
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.
2ew9 COPPER-TRANSPORTING
ATPASE 2

(Homo sapiens) 		PF00403
(HMA) 		5 ILE A 134
PRO A 131
LEU A 102
ILE A  98
THR A 117
 None
 1.04A 3clbC-2ew9A:
undetectable		 3clbC-2ew9A:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gu2 ASPA PROTEIN

(Rattus
norvegicus) 		PF04952
(AstE_AspA) 		5 VAL A 178
ILE A  15
PRO A  49
LEU A 198
ILE A 176
 None
 0.97A 3clbC-2gu2A:
undetectable		 3clbC-2gu2A:
20.31
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) 		5 ALA A  28
ASP A  48
MET A  49
PRO A  85
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
 0.97A 3clbC-2h2qA:
55.1		 3clbC-2h2qA:
100.00
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) 		11 VAL A  26
ALA A  28
ILE A  41
ASP A  48
THR A  80
ILE A  84
PRO A  85
LEU A  91
ILE A 154
TYR A 160
THR A 178
 None
NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
None
 0.67A 3clbC-2h2qA:
55.1		 3clbC-2h2qA:
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 268
ILE A 179
ILE A 199
LEU A 190
ILE A 243
 None
 1.05A 3clbC-2h6eA:
2.9		 3clbC-2h6eA:
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.
2jn4 HYPOTHETICAL PROTEIN
FIXU, NIFT

(Rhodopseudomonas
palustris) 		PF06988
(NifT) 		5 VAL A  61
ALA A  63
ILE A  25
LEU A  33
ILE A   5
 None
 1.04A 3clbC-2jn4A:
undetectable		 3clbC-2jn4A:
8.86
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) 		8 VAL A   9
ALA A  11
ASP A  32
THR A  58
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 4.0A)
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)
None
MTX  A 605 ( 4.2A)
 0.44A 3clbC-2oipA:
18.8		 3clbC-2oipA:
42.41
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.
2p0u STILBENECARBOXYLATE
SYNTHASE 2

(Marchantia
polymorpha) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 186
ILE A 293
PRO A 290
LEU A 265
THR A 187
 None
 1.04A 3clbC-2p0uA:
undetectable		 3clbC-2p0uA:
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.65A 3clbC-2qk8A:
18.8		 3clbC-2qk8A:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 ILE A  24
ASP A  31
THR A  50
PRO A  55
LEU A  61
ILE A 102
TYR A 108
 NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.72A 3clbC-2w3wA:
20.6		 3clbC-2w3wA:
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 VAL A   9
ALA A  11
ASP A  31
LEU A  54
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
None
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 1.49A 3clbC-2w3wA:
20.6		 3clbC-2w3wA:
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		9 VAL A   9
ALA A  11
ILE A  24
ASP A  31
THR A  50
LEU A  61
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.46A 3clbC-2w3wA:
20.6		 3clbC-2w3wA:
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.
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
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.49A 3clbC-2w9sA:
19.3		 3clbC-2w9sA:
16.02
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.99A 3clbC-2w9sA:
19.3		 3clbC-2w9sA:
16.02
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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 ALA B 375
ILE B 237
PRO B 236
LEU B 398
ILE B 373
 None
 0.96A 3clbC-3aeqB:
undetectable		 3clbC-3aeqB:
23.50
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 VAL A  93
ALA A  73
ILE A   9
LEU A 304
ILE A  69
 None
 0.97A 3clbC-3ddnA:
undetectable		 3clbC-3ddnA:
23.24
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
THR A  45
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.40A 3clbC-3dfrA:
19.4		 3clbC-3dfrA:
18.24
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
THR A  45
PRO A  50
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.3A)
 0.66A 3clbC-3dfrA:
19.4		 3clbC-3dfrA:
18.24
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
ASP A  54
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.45A 3clbC-3dg8A:
21.0		 3clbC-3dg8A:
22.34
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 615
ILE A 671
ILE A 667
LEU A 754
ILE A 693
 None
 0.88A 3clbC-3ecqA:
undetectable		 3clbC-3ecqA:
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.
3h3z CYCLIC
NUCLEOTIDE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 VAL A 113
ILE A 128
ILE A  16
LEU A  28
ILE A 109
 None
 1.02A 3clbC-3h3zA:
undetectable		 3clbC-3h3zA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.65A 3clbC-3i8aX:
19.2		 3clbC-3i8aX:
15.16
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ALA A   8
THR A  47
ILE A  51
LEU A  55
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.60A 3clbC-3ia4A:
19.4		 3clbC-3ia4A:
17.43
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) 		9 ALA A  16
ILE A  29
ASP A  37
THR A  69
ILE A  73
PRO A  74
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
NAP  A 512 (-3.6A)
None
None
None
None
None
 0.66A 3clbC-3kjrA:
39.1		 3clbC-3kjrA:
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.
3mcs PUTATIVE
MONOOXYGENASE

(Fusobacterium
nucleatum) 		PF03992
(ABM) 		5 ILE A 133
THR A 189
ILE A 193
ILE A 186
THR A 140
 None
 0.88A 3clbC-3mcsA:
undetectable		 3clbC-3mcsA:
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.
3mfq HIGH-AFFINITY ZINC
UPTAKE SYSTEM
PROTEIN ZNUA

(Streptococcus
suis) 		PF01297
(ZnuA) 		5 VAL A  98
ALA A 100
THR A  39
ILE A  61
PRO A  62
 None
 1.00A 3clbC-3mfqA:
undetectable		 3clbC-3mfqA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		11 VAL A  32
ALA A  34
ILE A  47
ASP A  54
MET A  55
THR A  86
PRO A  91
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.7A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.3A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.54A 3clbC-3rg9A:
31.5		 3clbC-3rg9A:
60.00
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.
3ruc WBGU

(Plesiomonas
shigelloides) 		PF01370
(Epimerase) 		5 ALA A 264
ILE A 211
PRO A 212
LEU A 274
ILE A 325
 None
 0.79A 3clbC-3rucA:
undetectable		 3clbC-3rucA:
20.93
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 VAL A 361
ILE A 310
ILE A 268
LEU A 351
ILE A 320
 None
 0.95A 3clbC-3sl1A:
undetectable		 3clbC-3sl1A:
21.65
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.
3tcm ALANINE
AMINOTRANSFERASE 2

(Hordeum vulgare) 		PF00155
(Aminotran_1_2) 		6 VAL A  70
THR A 109
ILE A 104
PRO A 105
LEU A 121
ILE A 341
 None
 1.38A 3clbC-3tcmA:
2.3		 3clbC-3tcmA:
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
THR A  47
ILE A  51
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.54A 3clbC-3tq9A:
19.6		 3clbC-3tq9A:
19.32
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) 		9 ASP A  54
MET A  55
THR A 108
ILE A 112
PRO A 113
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.69A 3clbC-3um6A:
17.1		 3clbC-3um6A:
37.99
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
THR A  53
ILE A  57
PRO A  58
LEU A  64
ILE A 111
TYR A 117
 None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.71A 3clbC-3vcoA:
19.9		 3clbC-3vcoA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 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) 		10 VAL A   6
ALA A   8
ASP A  28
MET A  29
THR A  53
ILE A  57
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.65A 3clbC-3vcoA:
19.9		 3clbC-3vcoA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 ALA A 237
ILE A 217
ILE A 220
LEU A 317
ILE A 325
 None
 1.02A 3clbC-3vthA:
undetectable		 3clbC-3vthA:
21.20
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.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 VAL A  49
ALA A  53
ILE A 206
LEU A  69
ILE A  46
 None
ANP  A 601 ( 4.8A)
None
None
None
 1.02A 3clbC-3zkbA:
undetectable		 3clbC-3zkbA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		5 ILE A  47
ASP A 139
ILE A 106
LEU A  81
ILE A  41
 None
 0.87A 3clbC-4ehjA:
undetectable		 3clbC-4ehjA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 5 ALA A 219
ILE A 233
ILE A 137
PRO A 138
THR A 222
 None
None
GOL  A 511 (-4.1A)
None
None
 0.98A 3clbC-4g4iA:
undetectable		 3clbC-4g4iA:
23.60
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		5 ALA A 146
ASP A  96
ILE A 279
PRO A 280
LEU A 166
 None
 1.05A 3clbC-4g76A:
undetectable		 3clbC-4g76A:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
THR X  61
ILE X  65
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.46A 3clbC-4g8zX:
21.6		 3clbC-4g8zX:
17.32
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.
4gip FUSION GLYCOPROTEIN
F1
FUSION GLYCOPROTEIN
F2

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		5 VAL D 175
ILE D 180
ILE A  69
LEU D 196
ILE D 172
 None
 1.04A 3clbC-4gipD:
undetectable		 3clbC-4gipD:
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ALA A  11
THR A  58
ILE A  62
PRO A  63
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.73A 3clbC-4h96A:
19.2		 3clbC-4h96A:
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ALA A  11
MET A  33
THR A  58
ILE A  62
PRO A  63
LEU A  69
ILE A 121
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 (-4.0A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
 0.82A 3clbC-4h98A:
19.8		 3clbC-4h98A:
23.78
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ALA A  11
THR A  58
ILE A  62
PRO A  63
LEU A  69
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.52A 3clbC-4h98A:
19.8		 3clbC-4h98A:
23.78
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.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 VAL A 132
ALA A 145
LEU A  59
ILE A 133
THR A 144
 None
 1.05A 3clbC-4ls9A:
2.7		 3clbC-4ls9A:
21.51
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ALA A   7
ILE A  20
ASP A  27
THR A  46
LEU A  57
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.4A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.50A 3clbC-4m2xA:
10.9		 3clbC-4m2xA:
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ILE A  20
THR A  46
PRO A  51
LEU A  57
ILE A  94
TYR A 100
 NDP  A 201 (-4.0A)
NDP  A 201 (-3.4A)
TMQ  A 202 (-4.2A)
None
TMQ  A 202 ( 3.8A)
None
 0.64A 3clbC-4m2xA:
10.9		 3clbC-4m2xA:
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
NAP  A 201 (-3.0A)
None
RAR  A 200 (-4.4A)
 0.86A 3clbC-4m7vA:
18.7		 3clbC-4m7vA:
16.53
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
LEU A  55
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.71A 3clbC-4m7vA:
18.7		 3clbC-4m7vA:
16.53
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.
4mbo SERINE-RICH REPEAT
ADHESION
GLYCOPROTEIN (SRR1)

(Streptococcus
agalactiae) 		PF10425
(SdrG_C_C) 		5 ASP A 574
ILE A 599
PRO A 600
LEU A 606
ILE A 522
 None
None
MLZ  A 601 ( 3.7A)
None
None
 1.00A 3clbC-4mboA:
undetectable		 3clbC-4mboA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
 None
 1.00A 3clbC-4n54A:
undetectable		 3clbC-4n54A:
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.
4ntl LIPOPROTEIN, YAEC
FAMILY

(Enterococcus
faecalis) 		PF03180
(Lipoprotein_9) 		5 ALA A 151
ILE A 148
ILE A 135
PRO A 136
ILE A 155
 None
 1.00A 3clbC-4ntlA:
undetectable		 3clbC-4ntlA:
18.55
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.
4ovt TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		6 VAL A 170
ILE A 152
ILE A 157
PRO A 156
LEU A 163
THR A 195
 None
 1.46A 3clbC-4ovtA:
undetectable		 3clbC-4ovtA:
21.67
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
THR A  46
ILE A  50
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.40A 3clbC-4p68A:
20.0		 3clbC-4p68A:
17.62
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.
4rmb SERINE RICH REPEAT
PROTEIN-1 (SRR-1)

(Streptococcus
agalactiae) 		PF10425
(SdrG_C_C) 		5 ASP A 574
ILE A 599
PRO A 600
LEU A 606
ILE A 522
 None
 0.97A 3clbC-4rmbA:
undetectable		 3clbC-4rmbA:
15.53
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.
4w7g DYNEIN LIGHT
INTERMEDIATE CHAIN

(Chaetomium
thermophilum) 		PF05783
(DLIC) 		5 MET A 257
ILE A 142
LEU A 226
ILE A 160
THR A 382
 None
 0.89A 3clbC-4w7gA:
undetectable		 3clbC-4w7gA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 165
ALA A  67
ILE A 101
PRO A 102
THR A   9
 None
 1.01A 3clbC-4x0oA:
undetectable		 3clbC-4x0oA:
23.79
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.
4z8g TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(TP1 ABS2)

(Homo sapiens) 		no annotation 6 ALA A 215
ILE A 190
ILE A 389
LEU A 392
ILE A 379
THR A 212
 None
 1.22A 3clbC-4z8gA:
undetectable		 3clbC-4z8gA:
17.43
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.
4z8g TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(TP1 ABS2)

(Homo sapiens) 		no annotation 6 VAL A 375
ALA A 215
ILE A 389
LEU A 392
ILE A 379
THR A 212
 None
 1.15A 3clbC-4z8gA:
undetectable		 3clbC-4z8gA:
17.43
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.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		6 ALA G1215
ILE G1190
ILE G1389
LEU G1392
ILE G1379
THR G1212
 None
 1.24A 3clbC-4z94G:
2.7		 3clbC-4z94G:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		6 VAL G1375
ALA G1215
ILE G1389
LEU G1392
ILE G1379
THR G1212
 None
 1.16A 3clbC-4z94G:
2.7		 3clbC-4z94G:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 615
ILE A 671
ILE A 667
LEU A 754
ILE A 693
 None
 1.02A 3clbC-5a55A:
undetectable		 3clbC-5a55A:
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.
5afe ENDOGLUCANASE CEL5A

([Eubacterium]
cellulosolvens) 		no annotation 5 ALA A 652
ILE A 654
ILE A 630
LEU A 622
ILE A 686
 None
 1.02A 3clbC-5afeA:
undetectable		 3clbC-5afeA:
14.50
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.
5bnn CAPSID PROTEIN VP2

(Enterovirus D) 		PF00073
(Rhv) 		5 VAL B 214
ILE B 127
PRO B 128
LEU B 161
ILE B 212
 None
 0.86A 3clbC-5bnnB:
undetectable		 3clbC-5bnnB:
19.25
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.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 VAL A 252
ILE A  51
ILE A  86
LEU A 287
ILE A 120
 None
 0.95A 3clbC-5cyfA:
undetectable		 3clbC-5cyfA:
20.57
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.
5d5p HCGB

(Methanococcus
maripaludis) 		PF11576
(DUF3236) 		5 ILE A  65
ILE A  60
LEU A 150
ILE A 115
THR A  44
 None
 0.82A 3clbC-5d5pA:
undetectable		 3clbC-5d5pA:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ALA A   7
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.52A 3clbC-5dxvA:
11.7		 3clbC-5dxvA:
15.28
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
ILE A  20
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
NAP  A 201 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.91A 3clbC-5ecxA:
19.7		 3clbC-5ecxA:
13.85
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.38A 3clbC-5fdaA:
13.3		 3clbC-5fdaA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h67 CHROMOSOME PARTITION
PROTEIN SMC

(Bacillus
subtilis) 		PF02463
(SMC_N) 		6 VAL B1119
ILE B1145
PRO B1112
LEU B1106
ILE A 141
THR B1148
 None
 1.21A 3clbC-5h67B:
undetectable		 3clbC-5h67B:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hca CALRETICULIN,CALRETI
CULIN

(Entamoeba
histolytica) 		no annotation 5 VAL C 139
ILE C 327
LEU C  83
ILE C 124
THR C 137
 None
 0.93A 3clbC-5hcaC:
undetectable		 3clbC-5hcaC:
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.
5ihy UNCHARACTERIZED
PROTEIN

(Bacillus
subtilis) 		PF01966
(HD) 		5 VAL A  81
ILE A  97
THR A  53
ILE A  50
ILE A  85
 None
 1.01A 3clbC-5ihyA:
undetectable		 3clbC-5ihyA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		5 ILE A 282
ASP A 187
LEU A 229
ILE A 198
THR A 191
 None
MG  A 501 (-2.6A)
None
None
None
 1.02A 3clbC-5it0A:
undetectable		 3clbC-5it0A:
24.67
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 ALA A 419
ILE A 434
ILE A 465
LEU A 507
ILE A 473
 None
 1.04A 3clbC-5m60A:
undetectable		 3clbC-5m60A:
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.
5mlz DOLICHOL
MONOPHOSPHATE
MANNOSE SYNTHASE

(Pyrococcus
furiosus) 		PF00535
(Glycos_transf_2)
PF04138
(GtrA) 		5 ALA A  72
ILE A  61
ASP A  39
LEU A  16
ILE A   7
 GDP  A 401 (-3.4A)
None
GDP  A 401 (-3.1A)
None
None
 1.06A 3clbC-5mlzA:
undetectable		 3clbC-5mlzA:
21.75
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) 		8 VAL A   8
ALA A  10
ASP A  31
THR A  83
PRO A  88
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
None
None
73X  A 704 (-4.2A)
 0.60A 3clbC-5t0lA:
19.2		 3clbC-5t0lA:
44.80
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		5 VAL A 165
ALA A 169
ILE A  73
LEU A 158
ILE A 162
 None
 0.93A 3clbC-5u1cA:
undetectable		 3clbC-5u1cA:
20.88
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.
5uv4 PUTATIVE
LEUCINE-RICH REPEAT
PROTEIN KINASE
FAMILY PROTEIN

(Zea mays) 		PF07714
(Pkinase_Tyr) 		5 VAL A 955
ALA A1020
ILE A 867
LEU A 844
ILE A 956
 None
 0.99A 3clbC-5uv4A:
undetectable		 3clbC-5uv4A:
21.26
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 5 VAL A 248
ALA A 428
ILE A 342
ILE A 287
LEU A 277
 None
 1.03A 3clbC-5yl7A:
undetectable		 3clbC-5yl7A:
10.41
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ALA A   8
ILE A  21
ASP A  28
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 3clbC-6cxmA:
7.6		 3clbC-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A  21
ASP A  28
THR A  47
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.65A 3clbC-6cxmA:
7.6		 3clbC-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.65A 3clbC-6e4eA:
19.0		 3clbC-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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		5 ALA B 244
ILE B 240
THR B 285
ILE B 325
LEU B 361
 None
 1.04A 3clbC-6reqB:
2.2		 3clbC-6reqB:
20.97