SIMILAR PATTERNS OF AMINO ACIDS FOR 3HBB_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
 0.80A 3hbbC-1bev2:
undetectable		 3hbbC-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) 		7 VAL A   6
ALA A   8
ASP A  27
ILE A  51
LEU A  55
ILE A 100
THR A 121
 None
 0.62A 3hbbC-1cz3A:
18.2		 3hbbC-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) 		6 ALA A   9
ILE A  60
PRO A  61
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.56A 3hbbC-1dr6A:
22.2		 3hbbC-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
 0.99A 3hbbC-1ehyA:
undetectable		 3hbbC-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
 0.87A 3hbbC-1gllY:
undetectable		 3hbbC-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.
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 3hbbC-1u6mA:
undetectable		 3hbbC-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) 		6 ALA A   9
ILE A  60
PRO A  61
LEU A  67
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.54A 3hbbC-1u70A:
22.0		 3hbbC-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) 		6 ALA A   9
ILE A  60
PRO A  61
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
None
MXA  A 187 (-4.3A)
 0.69A 3hbbC-1u71A:
21.8		 3hbbC-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.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 VAL A 150
ALA A  47
ILE A  82
ILE A  50
THR A  46
 None
 1.06A 3hbbC-1vcnA:
3.5		 3hbbC-1vcnA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zcz BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Thermotoga
maritima) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ALA A  45
ILE A  43
ILE A  17
LEU A 120
ILE A   4
 None
 0.94A 3hbbC-1zczA:
undetectable		 3hbbC-1zczA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.69A 3hbbC-1zdrA:
10.3		 3hbbC-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.
2b9b FUSION GLYCOPROTEIN
F0

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		5 VAL A 175
ILE A 180
ILE A  69
LEU A 196
ILE A 172
 None
 0.97A 3hbbC-2b9bA:
undetectable		 3hbbC-2b9bA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3hbbC-2blbA:
20.8		 3hbbC-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 3hbbC-2blbA:
20.8		 3hbbC-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
 1.02A 3hbbC-2deoA:
undetectable		 3hbbC-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.
2f4i HYPOTHETICAL PROTEIN
TM0957

(Thermotoga
maritima) 		PF10054
(DUF2291) 		5 ALA A 137
ILE A 204
LEU A 123
ILE A  96
THR A 138
 None
MLY  A 201 ( 4.6A)
None
None
None
 1.06A 3hbbC-2f4iA:
undetectable		 3hbbC-2f4iA:
17.05
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.
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
 1.00A 3hbbC-2gu2A:
undetectable		 3hbbC-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
 0.96A 3hbbC-2h2qA:
55.1		 3hbbC-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) 		10 VAL A  26
ALA A  28
ILE A  41
ASP A  48
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
None
None
None
None
None
None
 0.61A 3hbbC-2h2qA:
55.1		 3hbbC-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
 1.04A 3hbbC-2h6eA:
2.4		 3hbbC-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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 VAL A 223
ILE A  43
ILE A 126
PRO A 123
THR A 220
 None
 0.92A 3hbbC-2j4dA:
undetectable		 3hbbC-2j4dA:
23.22
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.
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
 1.08A 3hbbC-2jn4A:
undetectable		 3hbbC-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) 		7 VAL A   9
ALA A  11
ASP A  32
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)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.44A 3hbbC-2oipA:
18.8		 3hbbC-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
 1.05A 3hbbC-2p0uA:
undetectable		 3hbbC-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)
 0.63A 3hbbC-2qk8A:
18.6		 3hbbC-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.
2qkc SUPEROXIDE DISMUTASE
[MN]

(Homo sapiens) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		6 VAL A 160
ALA A 164
ILE A  18
ILE A 184
LEU A 156
ILE A 158
 None
MN  A 199 ( 4.9A)
None
None
None
None
 1.33A 3hbbC-2qkcA:
undetectable		 3hbbC-2qkcA:
17.65
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 VAL A 402
ILE A 175
LEU A 233
ILE A 246
THR A 251
 None
 1.07A 3hbbC-2vz9A:
undetectable		 3hbbC-2vz9A:
11.44
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ILE A  24
ASP A  31
PRO A  55
LEU A  61
TYR A 108
 NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
None
 0.81A 3hbbC-2w3wA:
20.6		 3hbbC-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)
 1.45A 3hbbC-2w3wA:
20.6		 3hbbC-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) 		8 VAL A   9
ALA A  11
ILE A  24
ASP A  31
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)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.45A 3hbbC-2w3wA:
20.6		 3hbbC-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) 		6 ALA A   7
ASP A  27
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.48A 3hbbC-2w9sA:
19.3		 3hbbC-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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 ALA F 307
ILE F 217
LEU F 213
ILE F 246
THR F 311
 None
 1.03A 3hbbC-2xwbF:
undetectable		 3hbbC-2xwbF:
21.89
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.
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
 0.94A 3hbbC-3aeqB:
undetectable		 3hbbC-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.
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 3hbbC-3dg8A:
16.1		 3hbbC-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.
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
 1.04A 3hbbC-3h3zA:
undetectable		 3hbbC-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) 		6 ALA X   7
ASP X  27
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.64A 3hbbC-3i8aX:
19.1		 3hbbC-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) 		6 ALA A   8
ILE A  51
LEU A  55
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.64A 3hbbC-3ia4A:
19.3		 3hbbC-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) 		8 ALA A  16
ILE A  29
ASP A  37
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
None
None
None
None
None
 0.67A 3hbbC-3kjrA:
39.1		 3hbbC-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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 VAL A 168
ALA A 309
ILE A 307
ILE A 295
ILE A 165
 None
 1.05A 3hbbC-3lijA:
undetectable		 3hbbC-3lijA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		5 VAL A 304
ALA A 297
ILE A 128
ILE A 125
ILE A 283
 None
 1.01A 3hbbC-3lnlA:
undetectable		 3hbbC-3lnlA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o5a DIHEME CYTOCHROME C
NAPB
PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF03892
(NapB)
PF04879
(Molybdop_Fe4S4) 		6 VAL A 481
ILE B  12
MET A 458
LEU A 442
ILE A 479
THR A 487
 None
None
None
None
None
MGD  A1803 (-4.0A)
 1.40A 3hbbC-3o5aA:
undetectable		 3hbbC-3o5aA:
20.92
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) 		7 ALA A  34
ASP A  54
MET A  55
LEU A  90
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.7A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 1.45A 3hbbC-3rg9A:
14.2		 3hbbC-3rg9A:
60.00
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) 		10 VAL A  32
ALA A  34
ILE A  47
ASP A  54
MET A  55
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)
WRA  A 602 (-4.3A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.49A 3hbbC-3rg9A:
14.2		 3hbbC-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
 0.83A 3hbbC-3rucA:
undetectable		 3hbbC-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
 0.89A 3hbbC-3sl1A:
undetectable		 3hbbC-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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 VAL A 109
ALA A 280
ILE A 203
ILE A 148
LEU A 138
 None
 1.04A 3hbbC-3ti7A:
undetectable		 3hbbC-3ti7A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
ILE A  51
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.55A 3hbbC-3tq9A:
19.5		 3hbbC-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) 		8 ASP A  54
MET A  55
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)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.71A 3hbbC-3um6A:
17.1		 3hbbC-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) 		6 ALA A   8
ILE A  57
PRO A  58
LEU A  64
ILE A 111
TYR A 117
 None
 0.76A 3hbbC-3vcoA:
20.0		 3hbbC-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) 		9 VAL A   6
ALA A   8
ASP A  28
MET A  29
ILE A  57
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
 0.66A 3hbbC-3vcoA:
20.0		 3hbbC-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
 1.04A 3hbbC-3vthA:
undetectable		 3hbbC-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.
3w01 HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Staphylococcus
aureus) 		PF01884
(PcrB) 		5 ILE A 207
MET A  36
PRO A  82
ILE A   4
THR A  32
 None
 1.06A 3hbbC-3w01A:
undetectable		 3hbbC-3w01A:
16.44
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 VAL A 652
ALA A 588
LEU A 709
ILE A 721
THR A 592
 None
 1.07A 3hbbC-3wfaA:
2.2		 3hbbC-3wfaA:
20.70
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.
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
 1.06A 3hbbC-3zkbA:
undetectable		 3hbbC-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.
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
 0.99A 3hbbC-4g4iA:
undetectable		 3hbbC-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 3hbbC-4g76A:
undetectable		 3hbbC-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) 		7 ALA X  12
ILE X  65
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.48A 3hbbC-4g8zX:
21.6		 3hbbC-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
 1.00A 3hbbC-4gipD:
undetectable		 3hbbC-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) 		7 ALA A  11
ILE A  62
PRO A  63
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.77A 3hbbC-4h96A:
19.1		 3hbbC-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) 		7 ALA A  11
ILE A  62
PRO A  63
LEU A  69
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.54A 3hbbC-4h98A:
19.6		 3hbbC-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) 		6 MET A  33
ILE A  62
PRO A  63
LEU A  69
ILE A 121
TYR A 127
 14Q  A 302 (-4.0A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
 0.89A 3hbbC-4h98A:
19.6		 3hbbC-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.
4hgn 2-KETO-3-DEOXY-D-MAN
NO-OCTULOSONATE
8-PHOSPHATE
PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 VAL A  21
ALA A 130
ILE A 141
ILE A   4
LEU A 106
 None
 1.09A 3hbbC-4hgnA:
undetectable		 3hbbC-4hgnA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 3hbbC-4ls9A:
2.2		 3hbbC-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) 		6 ALA A   7
ASP A  27
LEU A  50
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 1.45A 3hbbC-4m2xA:
19.5		 3hbbC-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) 		7 ALA A   7
ILE A  20
ASP A  27
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)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.46A 3hbbC-4m2xA:
19.5		 3hbbC-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) 		5 ILE A  20
PRO A  51
LEU A  57
ILE A  94
TYR A 100
 NDP  A 201 (-4.0A)
TMQ  A 202 (-4.2A)
None
TMQ  A 202 ( 3.8A)
None
 0.70A 3hbbC-4m2xA:
19.5		 3hbbC-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.
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
 1.03A 3hbbC-4mboA:
undetectable		 3hbbC-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
 0.98A 3hbbC-4n54A:
undetectable		 3hbbC-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
 0.92A 3hbbC-4ntlA:
undetectable		 3hbbC-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
 1.43A 3hbbC-4ovtA:
undetectable		 3hbbC-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) 		6 ALA A   7
ASP A  27
ILE A  50
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.41A 3hbbC-4p68A:
20.0		 3hbbC-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
 1.00A 3hbbC-4rmbA:
undetectable		 3hbbC-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
 0.91A 3hbbC-4w7gA:
undetectable		 3hbbC-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 3hbbC-4x0oA:
undetectable		 3hbbC-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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 VAL A 135
ALA A 276
ILE A 274
ILE A 262
ILE A 132
 None
 1.06A 3hbbC-4ysjA:
undetectable		 3hbbC-4ysjA:
21.97
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.
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
 1.28A 3hbbC-4z8gA:
undetectable		 3hbbC-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 3hbbC-4z8gA:
undetectable		 3hbbC-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) 		5 VAL G1375
ALA G1215
ILE G1389
ILE G1379
THR G1212
 None
 1.01A 3hbbC-4z94G:
2.7		 3hbbC-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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT F
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT H

(Oryctolagus
cuniculus) 		PF01398
(JAB)
PF13012
(MitMem_reg) 		5 ILE F 272
ILE H  41
LEU H 150
ILE H  49
THR F 264
 None
 1.08A 3hbbC-5a5tF:
undetectable		 3hbbC-5a5tF:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5afe ENDOGLUCANASE CEL5A

([Eubacterium]
cellulosolvens) 		no annotation 5 ALA A 652
ILE A 654
ILE A 630
LEU A 622
ILE A 686
 None
 1.00A 3hbbC-5afeA:
undetectable		 3hbbC-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
 0.80A 3hbbC-5bnnB:
undetectable		 3hbbC-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
 0.92A 3hbbC-5cyfA:
undetectable		 3hbbC-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
 0.80A 3hbbC-5d5pA:
undetectable		 3hbbC-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) 		6 ALA A   7
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.59A 3hbbC-5dxvA:
3.2		 3hbbC-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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.36A 3hbbC-5fdaA:
13.5		 3hbbC-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
 1.22A 3hbbC-5h67B:
2.0		 3hbbC-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
 0.94A 3hbbC-5hcaC:
undetectable		 3hbbC-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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 VAL A 303
ILE A 311
ILE A 347
LEU A 406
ILE A 336
 None
 1.02A 3hbbC-5jfmA:
undetectable		 3hbbC-5jfmA:
22.66
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 VAL A 128
ALA A 141
LEU A  55
ILE A 129
THR A 140
 None
 1.08A 3hbbC-5jjuA:
2.3		 3hbbC-5jjuA:
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.
5kin TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Streptococcus
pneumoniae) 		PF00290
(Trp_syntA) 		5 ALA A  70
ASP A  28
ILE A  51
LEU A  43
ILE A 236
 None
 1.07A 3hbbC-5kinA:
undetectable		 3hbbC-5kinA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mgx PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP8

(Homo sapiens) 		PF00254
(FKBP_C)
PF07719
(TPR_2) 		5 VAL E 152
ALA E 230
PRO E 190
LEU E 194
ILE E 153
 None
 1.08A 3hbbC-5mgxE:
undetectable		 3hbbC-5mgxE:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 VAL A   8
ALA A  10
ASP A  31
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)
73X  A 704 (-4.0A)
None
None
73X  A 704 (-4.2A)
 0.60A 3hbbC-5t0lA:
19.3		 3hbbC-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
 0.98A 3hbbC-5u1cA:
undetectable		 3hbbC-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.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		5 ALA A  83
ILE A  80
ILE A 104
LEU A 144
ILE A  11
 None
 1.03A 3hbbC-5u2nA:
undetectable		 3hbbC-5u2nA:
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.
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 3hbbC-5uv4A:
undetectable		 3hbbC-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 3hbbC-5yl7A:
undetectable		 3hbbC-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 7 ALA A   8
ILE A  21
ASP A  28
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)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.46A 3hbbC-6cxmA:
9.4		 3hbbC-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 6 ILE A  21
ASP A  28
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.65A 3hbbC-6cxmA:
9.4		 3hbbC-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 5 ALA A   7
ASP A  27
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.62A 3hbbC-6e4eA:
19.0		 3hbbC-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.
6ei9 TRNA-DIHYDROURIDINE
SYNTHASE B

(Escherichia
coli) 		no annotation 5 VAL A 212
ALA A 218
ILE A 198
PRO A  16
ILE A 203
 None
None
None
FMN  A 401 (-3.9A)
None
 1.05A 3hbbC-6ei9A:
undetectable		 3hbbC-6ei9A:
9.07