SIMILAR PATTERNS OF AMINO ACIDS FOR 5HW8_A_FK5A201_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.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 ASP A 142
PHE A 153
ILE A 159
TRP A 162
TYR A 185
ILE A 194
 None
 1.20A 5hw8A-1fd9A:
15.5
5hw8D-1fd9A:
15.6		 5hw8A-1fd9A:
23.11
5hw8D-1fd9A:
23.11
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.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		7 TYR A 131
ASP A 142
VAL A 158
ILE A 159
TRP A 162
TYR A 185
ILE A 194
 None
 0.66A 5hw8A-1fd9A:
15.5
5hw8D-1fd9A:
15.6		 5hw8A-1fd9A:
23.11
5hw8D-1fd9A:
23.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fkk FK506 BINDING
PROTEIN

(Bos taurus) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
 None
 0.83A 5hw8A-1fkkA:
19.0
5hw8D-1fkkA:
18.9		 5hw8A-1fkkA:
45.83
5hw8D-1fkkA:
45.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fkk FK506 BINDING
PROTEIN

(Bos taurus) 		PF00254
(FKBP_C) 		5 TYR A  26
PHE A  46
VAL A  55
TRP A  59
ILE A  90
 None
 0.98A 5hw8A-1fkkA:
19.0
5hw8D-1fkkA:
18.9		 5hw8A-1fkkA:
45.83
5hw8D-1fkkA:
45.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iom CITRATE SYNTHASE

(Thermus
thermophilus) 		PF00285
(Citrate_synt) 		5 TYR A 314
VAL A 226
ILE A 230
ILE A 293
ILE A 307
 None
 1.15A 5hw8A-1iomA:
undetectable
5hw8D-1iomA:
undetectable		 5hw8A-1iomA:
16.44
5hw8D-1iomA:
16.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		5 PHE A 114
ILE A 120
TRP A 123
TYR A 146
ILE A 155
 None
 1.13A 5hw8A-1jvwA:
14.7
5hw8D-1jvwA:
14.7		 5hw8A-1jvwA:
32.47
5hw8D-1jvwA:
32.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		7 TYR A  92
ARG A 108
VAL A 119
ILE A 120
TRP A 123
TYR A 146
ILE A 155
 None
 0.73A 5hw8A-1jvwA:
14.7
5hw8D-1jvwA:
14.7		 5hw8A-1jvwA:
32.47
5hw8D-1jvwA:
32.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		7 TYR A  92
ASP A 103
ARG A 108
ILE A 120
TRP A 123
TYR A 146
ILE A 155
 None
 0.79A 5hw8A-1jvwA:
14.7
5hw8D-1jvwA:
14.7		 5hw8A-1jvwA:
32.47
5hw8D-1jvwA:
32.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		7 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
 1.35A 5hw8A-1kt1A:
14.2
5hw8D-1kt1A:
14.5		 5hw8A-1kt1A:
18.80
5hw8D-1kt1A:
18.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n1a FKBP52

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
 0.65A 5hw8A-1n1aA:
16.5
5hw8D-1n1aA:
16.7		 5hw8A-1n1aA:
36.49
5hw8D-1n1aA:
36.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pbk FKBP25

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
 0.45A 5hw8A-1pbkA:
17.9
5hw8D-1pbkA:
18.1		 5hw8A-1pbkA:
40.00
5hw8D-1pbkA:
40.00
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		8 TYR A 146
ASP A 157
ARG A 162
VAL A 173
ILE A 174
TRP A 177
TYR A 200
ILE A 208
 None
 0.71A 5hw8A-1q6hA:
15.5
5hw8D-1q6hA:
15.6		 5hw8A-1q6hA:
25.63
5hw8D-1q6hA:
25.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r9h FK506 BINDING
PROTEIN FAMILY

(Caenorhabditis
elegans) 		PF00254
(FKBP_C) 		9 TYR A  40
ASP A  51
ARG A  56
PHE A  60
VAL A  69
ILE A  70
TRP A  73
TYR A  96
ILE A 105
 None
 0.72A 5hw8A-1r9hA:
18.1
5hw8D-1r9hA:
18.2		 5hw8A-1r9hA:
34.93
5hw8D-1r9hA:
34.93
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 PHE A 349
VAL A 466
ILE A 465
TYR A 454
ILE A 458
 None
 1.13A 5hw8A-1ry2A:
undetectable
5hw8D-1ry2A:
undetectable		 5hw8A-1ry2A:
10.61
5hw8D-1ry2A:
10.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u79 FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Arabidopsis
thaliana) 		PF00254
(FKBP_C) 		7 TYR A  37
ASP A  48
VAL A  66
ILE A  67
TRP A  70
TYR A  99
ILE A 113
 None
 0.54A 5hw8A-1u79A:
17.8
5hw8D-1u79A:
18.1		 5hw8A-1u79A:
40.30
5hw8D-1u79A:
40.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ASP A 139
ILE A 112
ILE A 155
ILE A  30
ILE A  16
 None
 1.11A 5hw8A-1udqA:
undetectable
5hw8D-1udqA:
undetectable		 5hw8A-1udqA:
19.12
5hw8D-1udqA:
19.12
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.
1wy2 XAA-PRO DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ASP A 265
ARG A 269
ILE A 313
ILE A 259
ILE A 272
 None
 1.15A 5hw8A-1wy2A:
undetectable
5hw8D-1wy2A:
undetectable		 5hw8A-1wy2A:
18.91
5hw8D-1wy2A:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xew SMC PROTEIN

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 VAL Y1126
ILE Y1125
ILE X  22
ILE Y1167
ILE Y1163
 None
 1.03A 5hw8A-1xewY:
undetectable
5hw8D-1xewY:
undetectable		 5hw8A-1xewY:
22.41
5hw8D-1xewY:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yat FK506 BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
FK5  A 108 (-3.7A)
FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 3.6A)
FK5  A 108 ( 4.7A)
None
 0.64A 5hw8A-1yatA:
19.6
5hw8D-1yatA:
19.8		 5hw8A-1yatA:
55.65
5hw8D-1yatA:
55.65
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.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		5 ILE A  85
TRP A  88
TYR A 131
ILE A 177
ILE A 154
 None
 1.14A 5hw8A-1zmbA:
undetectable
5hw8D-1zmbA:
undetectable		 5hw8A-1zmbA:
18.59
5hw8D-1zmbA:
18.59
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.
2btv PROTEIN (VP3 CORE
PROTEIN)

(Bluetongue
virus) 		PF01700
(Orbi_VP3) 		5 TYR A 217
VAL A  83
ILE A  82
ILE A 264
ILE A 192
 None
 0.99A 5hw8A-2btvA:
undetectable
5hw8D-2btvA:
undetectable		 5hw8A-2btvA:
8.54
5hw8D-2btvA:
8.54
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.
2cxe RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Pyrococcus
horikoshii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ASP A 183
ARG A 390
ILE A 143
ILE A 397
ILE A 393
 None
 1.12A 5hw8A-2cxeA:
undetectable
5hw8D-2cxeA:
undetectable		 5hw8A-2cxeA:
15.09
5hw8D-2cxeA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2db3 ATP-DEPENDENT RNA
HELICASE VASA

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ASP A 464
PHE A 225
ILE A 219
ILE A 455
ILE A 231
 None
ANP  A2901 (-4.6A)
ANP  A2901 (-4.4A)
None
None
 1.03A 5hw8A-2db3A:
undetectable
5hw8D-2db3A:
undetectable		 5hw8A-2db3A:
13.41
5hw8D-2db3A:
13.41
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.
2iue INTEGRIN BETA-2-LIKE
PROTEIN

(Mus musculus) 		PF00362
(Integrin_beta) 		5 TYR A 179
PHE A 116
VAL A 153
ILE A 186
ILE A  48
 None
 1.10A 5hw8A-2iueA:
undetectable
5hw8D-2iueA:
undetectable		 5hw8A-2iueA:
21.60
5hw8D-2iueA:
21.60
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 PHE A 926
ILE A 953
ILE A 971
ILE A1031
ILE A1028
 None
 1.10A 5hw8A-2nm1A:
undetectable
5hw8D-2nm1A:
undetectable		 5hw8A-2nm1A:
13.68
5hw8D-2nm1A:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		5 ILE G 191
TYR G 161
ILE G 159
ILE G 121
ILE G  82
 None
 1.07A 5hw8A-2nzuG:
undetectable
5hw8D-2nzuG:
undetectable		 5hw8A-2nzuG:
17.33
5hw8D-2nzuG:
17.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pbc FK506-BINDING
PROTEIN 2

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A  86
TRP A  89
TYR A 112
ILE A 121
 PEG  A 201 (-4.4A)
None
PEG  A 201 ( 3.9A)
PEG  A 201 (-3.6A)
PEG  A 201 (-3.8A)
PEG  A 201 (-3.7A)
None
None
 0.75A 5hw8A-2pbcA:
15.4
5hw8D-2pbcA:
15.2		 5hw8A-2pbcA:
44.14
5hw8D-2pbcA:
44.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 TYR A  55
ASP A  66
ILE A  83
TRP A  86
TYR A 109
ILE A 118
 RAP  A 138 (-2.6A)
RAP  A 138 (-2.7A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
RAP  A 138 (-3.8A)
None
 1.02A 5hw8A-2vcdA:
13.0
5hw8D-2vcdA:
12.9		 5hw8A-2vcdA:
34.90
5hw8D-2vcdA:
34.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 TYR A  55
ASP A  66
VAL A  82
ILE A  83
TRP A  86
TYR A 109
 RAP  A 138 (-2.6A)
RAP  A 138 (-2.7A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
RAP  A 138 (-3.8A)
 0.91A 5hw8A-2vcdA:
13.0
5hw8D-2vcdA:
12.9		 5hw8A-2vcdA:
34.90
5hw8D-2vcdA:
34.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vn1 70 KDA
PEPTIDYLPROLYL
ISOMERASE

(Plasmodium
falciparum) 		PF00254
(FKBP_C) 		9 TYR A  44
ASP A  56
ARG A  61
PHE A  65
VAL A  74
ILE A  75
TRP A  78
TYR A 101
ILE A 110
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
FK5  A 501 (-3.9A)
FK5  A 501 (-4.1A)
FK5  A 501 (-3.5A)
FK5  A 501 (-4.3A)
FK5  A 501 (-3.3A)
FK5  A 501 (-4.7A)
None
 0.70A 5hw8A-2vn1A:
17.4
5hw8D-2vn1A:
17.6		 5hw8A-2vn1A:
33.09
5hw8D-2vn1A:
33.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 221
ASP A 261
TRP A 219
ILE A 436
ILE A 369
 None
 1.15A 5hw8A-2wskA:
undetectable
5hw8D-2wskA:
undetectable		 5hw8A-2wskA:
11.48
5hw8D-2wskA:
11.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y78 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		9 TYR A  33
ASP A  44
ARG A  49
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
 None
 0.75A 5hw8A-2y78A:
16.9
5hw8D-2y78A:
17.0		 5hw8A-2y78A:
47.90
5hw8D-2y78A:
47.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 TYR A 726
PHE A 644
VAL A 575
ILE A 211
ILE A 538
 None
 1.16A 5hw8A-2y8nA:
undetectable
5hw8D-2y8nA:
undetectable		 5hw8A-2y8nA:
9.63
5hw8D-2y8nA:
9.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bgy POLYNUCLEOTIDE
5'-TRIPHOSPHATASE

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 PHE A 232
ILE A 137
TRP A 140
ILE A 221
ILE A 188
 None
 1.17A 5hw8A-3bgyA:
undetectable
5hw8D-3bgyA:
undetectable		 5hw8A-3bgyA:
21.76
5hw8D-3bgyA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8p ACETYLTRANSFERASE OF
GNAT FAMILY

(Staphylococcus
aureus) 		PF13673
(Acetyltransf_10) 		5 ILE A  71
TYR A  47
ILE A  43
ILE A  30
ILE A  32
 None
 1.12A 5hw8A-3d8pA:
undetectable
5hw8D-3d8pA:
undetectable		 5hw8A-3d8pA:
25.83
5hw8D-3d8pA:
25.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		5 VAL A 216
ILE A 237
TYR A 255
ILE A 245
ILE A 333
 None
 0.97A 5hw8A-3hvyA:
undetectable
5hw8D-3hvyA:
undetectable		 5hw8A-3hvyA:
15.07
5hw8D-3hvyA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		5 VAL A 216
ILE A 237
TYR A 255
ILE A 245
ILE A 333
 None
 1.03A 5hw8A-3i16A:
undetectable
5hw8D-3i16A:
undetectable		 5hw8A-3i16A:
14.29
5hw8D-3i16A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k6j PROTEIN F01G10.3,
CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ARG A   9
PHE A 390
VAL A 352
ILE A 372
ILE A 251
 None
 1.14A 5hw8A-3k6jA:
undetectable
5hw8D-3k6jA:
undetectable		 5hw8A-3k6jA:
16.58
5hw8D-3k6jA:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lhl PUTATIVE AGMATINASE

(Clostridioides
difficile) 		PF00491
(Arginase) 		5 ASP A 258
VAL A  98
ILE A  97
ILE A 160
ILE A 157
 None
 1.17A 5hw8A-3lhlA:
undetectable
5hw8D-3lhlA:
undetectable		 5hw8A-3lhlA:
19.15
5hw8D-3lhlA:
19.15
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.
3mgk INTRACELLULAR
PROTEASE/AMIDASE
RELATED ENZYME (THIJ
FAMILY)

(Clostridium
acetobutylicum) 		PF01965
(DJ-1_PfpI) 		5 TYR A  57
ASP A   6
ARG A   4
ILE A  98
ILE A  63
 None
 0.88A 5hw8A-3mgkA:
undetectable
5hw8D-3mgkA:
undetectable		 5hw8A-3mgkA:
20.19
5hw8D-3mgkA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 TYR A 349
VAL A 408
ILE A 412
ILE A  89
ILE A  43
 None
 1.05A 5hw8A-3mq4A:
undetectable
5hw8D-3mq4A:
undetectable		 5hw8A-3mq4A:
14.84
5hw8D-3mq4A:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
 0.81A 5hw8A-3o5dA:
17.1
5hw8D-3o5dA:
17.2		 5hw8A-3o5dA:
27.20
5hw8D-3o5dA:
27.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		6 ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
 None
 0.88A 5hw8A-3o5eA:
17.1
5hw8D-3o5eA:
17.2		 5hw8A-3o5eA:
39.72
5hw8D-3o5eA:
39.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		6 ASP A  68
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
 None
 0.71A 5hw8A-3o5eA:
17.1
5hw8D-3o5eA:
17.2		 5hw8A-3o5eA:
39.72
5hw8D-3o5eA:
39.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  57
ASP A  68
PHE A  77
ILE A  87
TRP A  90
TYR A 113
 None
 0.83A 5hw8A-3o5eA:
17.1
5hw8D-3o5eA:
17.2		 5hw8A-3o5eA:
39.72
5hw8D-3o5eA:
39.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  57
ASP A  68
PHE A  77
ILE A  87
TYR A 113
ILE A 122
 None
 0.66A 5hw8A-3o5eA:
17.1
5hw8D-3o5eA:
17.2		 5hw8A-3o5eA:
39.72
5hw8D-3o5eA:
39.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ojl CAP5O

(Staphylococcus
aureus) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ASP A 126
VAL A  97
ILE A  94
ILE A 144
ILE A 140
 None
 1.04A 5hw8A-3ojlA:
undetectable
5hw8D-3ojlA:
undetectable		 5hw8A-3ojlA:
15.22
5hw8D-3ojlA:
15.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pa7 70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE

(Plasmodium
vivax) 		PF00254
(FKBP_C) 		9 TYR A  43
ASP A  55
ARG A  60
PHE A  64
VAL A  73
ILE A  74
TRP A  77
TYR A 100
ILE A 109
 None
 0.74A 5hw8A-3pa7A:
17.2
5hw8D-3pa7A:
17.4		 5hw8A-3pa7A:
36.43
5hw8D-3pa7A:
36.43
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.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA) 		5 VAL A 126
ILE A 151
TYR A 173
ILE A  88
ILE A  37
 None
 1.09A 5hw8A-3pr2A:
undetectable
5hw8D-3pr2A:
undetectable		 5hw8A-3pr2A:
18.05
5hw8D-3pr2A:
18.05
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 TYR A 297
ILE A 327
ILE A 382
ILE A 113
ILE A 116
 None
 1.17A 5hw8A-3ramA:
undetectable
5hw8D-3ramA:
undetectable		 5hw8A-3ramA:
17.26
5hw8D-3ramA:
17.26
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.
3u3i NUCLEOCAPSID PROTEIN

(Crimean-Congo
hemorrhagic
fever
orthonairovirus) 		PF02477
(Nairo_nucleo) 		5 ASP A 305
ARG A 134
PHE A 466
VAL A 390
ILE A  88
 None
 1.17A 5hw8A-3u3iA:
undetectable
5hw8D-3u3iA:
undetectable		 5hw8A-3u3iA:
14.13
5hw8D-3u3iA:
14.13
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.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A  95
TRP A  89
ILE A 178
ILE A  71
ILE A  72
 None
 1.07A 5hw8A-3uonA:
undetectable
5hw8D-3uonA:
undetectable		 5hw8A-3uonA:
12.69
5hw8D-3uonA:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 TYR B 431
ASP B 670
PHE B 430
ILE B 436
ILE B 262
 None
 0.98A 5hw8A-3v0aB:
undetectable
5hw8D-3v0aB:
undetectable		 5hw8A-3v0aB:
7.57
5hw8D-3v0aB:
7.57
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 TYR A 431
ASP A 670
PHE A 430
ILE A 436
ILE A 262
 None
 1.05A 5hw8A-3vuoA:
undetectable
5hw8D-3vuoA:
undetectable		 5hw8A-3vuoA:
8.68
5hw8D-3vuoA:
8.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		6 TYR A 313
ASP A 324
PHE A 332
VAL A 341
ILE A 342
TRP A 345
 None
 0.91A 5hw8A-4bf8A:
15.4
5hw8D-4bf8A:
15.5		 5hw8A-4bf8A:
37.12
5hw8D-4bf8A:
37.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		7 TYR A 313
ASP A 324
VAL A 341
ILE A 342
TRP A 345
TYR A 368
ILE A 376
 None
 0.83A 5hw8A-4bf8A:
15.4
5hw8D-4bf8A:
15.5		 5hw8A-4bf8A:
37.12
5hw8D-4bf8A:
37.12
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.
4c0e NOT1

(Chaetomium
thermophilum) 		PF04054
(Not1) 		5 TYR A2111
ASP A2075
ARG A2059
PHE A2069
ILE A2119
 None
 0.96A 5hw8A-4c0eA:
undetectable
5hw8D-4c0eA:
undetectable		 5hw8A-4c0eA:
13.40
5hw8D-4c0eA:
13.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dz3 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		9 TYR A  33
ASP A  44
ARG A  49
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
 FK5  A 201 ( 3.9A)
FK5  A 201 (-3.5A)
FK5  A 201 ( 3.7A)
FK5  A 201 (-4.1A)
FK5  A 201 ( 3.6A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.7A)
None
 0.72A 5hw8A-4dz3A:
17.8
5hw8D-4dz3A:
17.9		 5hw8A-4dz3A:
47.90
5hw8D-4dz3A:
47.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f1r CATABOLITE
REPRESSION CONTROL
PROTEIN

(Pseudomonas
aeruginosa) 		PF03372
(Exo_endo_phos) 		5 ARG A 141
PHE A  99
VAL A  30
ILE A   3
ILE A  80
 None
 1.16A 5hw8A-4f1rA:
undetectable
5hw8D-4f1rA:
undetectable		 5hw8A-4f1rA:
15.05
5hw8D-4f1rA:
15.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		5 ARG A  42
PHE A  46
VAL A  55
ILE A  56
TYR A  82
 None
 0.88A 5hw8A-4iqcA:
18.8
5hw8D-4iqcA:
18.9		 5hw8A-4iqcA:
46.72
5hw8D-4iqcA:
46.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		5 PHE A  46
VAL A  55
ILE A  56
TYR A  82
ILE A  91
 None
 0.78A 5hw8A-4iqcA:
18.8
5hw8D-4iqcA:
18.9		 5hw8A-4iqcA:
46.72
5hw8D-4iqcA:
46.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  26
ASP A  37
ARG A  42
PHE A  46
ILE A  56
TYR A  82
 None
 0.90A 5hw8A-4iqcA:
18.8
5hw8D-4iqcA:
18.9		 5hw8A-4iqcA:
46.72
5hw8D-4iqcA:
46.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  26
ASP A  37
PHE A  46
ILE A  56
TYR A  82
ILE A  91
 None
 0.90A 5hw8A-4iqcA:
18.8
5hw8D-4iqcA:
18.9		 5hw8A-4iqcA:
46.72
5hw8D-4iqcA:
46.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l8t UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF01843
(DIL) 		5 PHE A1443
VAL A1389
ILE A1392
ILE A1379
ILE A1427
 None
 1.09A 5hw8A-4l8tA:
undetectable
5hw8D-4l8tA:
undetectable		 5hw8A-4l8tA:
14.25
5hw8D-4l8tA:
14.25
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
 0.92A 5hw8A-4lawA:
17.7
5hw8D-4lawA:
18.0		 5hw8A-4lawA:
27.18
5hw8D-4lawA:
27.18
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
 0.74A 5hw8A-4lawA:
17.7
5hw8D-4lawA:
18.0		 5hw8A-4lawA:
27.18
5hw8D-4lawA:
27.18
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.
4mn5 SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		PF13426
(PAS_9) 		5 ASP A 280
ILE A 323
ILE A 349
ILE A 303
ILE A 304
 None
 1.15A 5hw8A-4mn5A:
undetectable
5hw8D-4mn5A:
undetectable		 5hw8A-4mn5A:
21.74
5hw8D-4mn5A:
21.74
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.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		5 VAL A  95
TRP A  89
ILE A 178
ILE A  71
ILE A  72
 None
 0.95A 5hw8A-4mqtA:
undetectable
5hw8D-4mqtA:
undetectable		 5hw8A-4mqtA:
16.72
5hw8D-4mqtA:
16.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nnr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A  86
TRP A  89
TYR A 112
ILE A 121
 FK5  A 201 (-4.1A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.0A)
FK5  A 201 (-3.4A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.5A)
FK5  A 201 (-4.5A)
None
 0.47A 5hw8A-4nnrA:
15.6
5hw8D-4nnrA:
15.5		 5hw8A-4nnrA:
36.00
5hw8D-4nnrA:
36.00
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.
4odr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA

(Homo sapiens;
Thermus
thermophilus) 		PF00254
(FKBP_C) 		5 TYR A  13
ASP A  23
ILE A  37
TYR A  63
ILE A  72
 FK5  A 201 ( 3.6A)
FK5  A 201 (-3.6A)
FK5  A 201 (-3.9A)
FK5  A 201 (-4.4A)
None
 0.49A 5hw8A-4odrA:
12.6
5hw8D-4odrA:
12.7		 5hw8A-4odrA:
26.21
5hw8D-4odrA:
26.21
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 331
ASP A 377
TRP A 329
ILE A 613
ILE A 525
 GLC  A1001 ( 3.8A)
None
None
None
None
 1.15A 5hw8A-4okdA:
undetectable
5hw8D-4okdA:
undetectable		 5hw8A-4okdA:
10.54
5hw8D-4okdA:
10.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
 None
 0.81A 5hw8A-4r0xA:
17.7
5hw8D-4r0xA:
17.7		 5hw8A-4r0xA:
40.00
5hw8D-4r0xA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
 None
 0.86A 5hw8A-4r0xA:
17.7
5hw8D-4r0xA:
17.7		 5hw8A-4r0xA:
40.00
5hw8D-4r0xA:
40.00
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.
4x22 TRIOSEPHOSPHATE
ISOMERASE

(Leptospira
interrogans) 		PF00121
(TIM) 		5 PHE A 247
VAL A  61
ILE A  62
ILE A 165
ILE A 223
 None
None
EDO  A 301 ( 4.2A)
None
None
 0.97A 5hw8A-4x22A:
undetectable
5hw8D-4x22A:
undetectable		 5hw8A-4x22A:
22.73
5hw8D-4x22A:
22.73
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.
4z2z DNA DAMAGE-INDUCIBLE
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF09668
(Asp_protease) 		5 ASP A 292
PHE A 278
VAL A 267
ILE A 274
ILE A 285
 None
 1.14A 5hw8A-4z2zA:
undetectable
5hw8D-4z2zA:
undetectable		 5hw8A-4z2zA:
20.89
5hw8D-4z2zA:
20.89
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.
4zel DOPAMINE
BETA-HYDROXYLASE

(Homo sapiens) 		PF01082
(Cu2_monooxygen)
PF03351
(DOMON)
PF03712
(Cu2_monoox_C) 		5 VAL A 507
ILE A 561
TYR A 389
ILE A 463
ILE A 377
 None
 1.16A 5hw8A-4zelA:
undetectable
5hw8D-4zelA:
undetectable		 5hw8A-4zelA:
12.75
5hw8D-4zelA:
12.75
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 VAL A 350
ILE A 351
ILE A 286
ILE A 239
ILE A 238
 None
 1.17A 5hw8A-5a22A:
undetectable
5hw8D-5a22A:
undetectable		 5hw8A-5a22A:
5.87
5hw8D-5a22A:
5.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Coccidioides
immitis) 		PF00254
(FKBP_C) 		9 TYR C  36
ASP C  56
ARG C  61
PHE C  64
VAL C  73
ILE C  74
TRP C  77
TYR C 100
ILE C 109
 FK5  C 201 (-4.1A)
FK5  C 201 ( 3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.5A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.4A)
FK5  C 201 (-4.5A)
None
 0.73A 5hw8A-5b8iC:
19.2
5hw8D-5b8iC:
19.1		 5hw8A-5b8iC:
37.86
5hw8D-5b8iC:
37.86
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.
5dsg MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A 104
TRP A  98
ILE A 187
ILE A  80
ILE A  81
 OLA  A1209 (-4.8A)
None
P6G  A1205 (-4.2A)
None
None
 1.05A 5hw8A-5dsgA:
undetectable
5hw8D-5dsgA:
undetectable		 5hw8A-5dsgA:
15.13
5hw8D-5dsgA:
15.13
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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 VAL A 236
ILE A 239
ILE A 461
ILE A 414
ILE A 413
 None
 1.14A 5hw8A-5e4rA:
undetectable
5hw8D-5e4rA:
undetectable		 5hw8A-5e4rA:
13.39
5hw8D-5e4rA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 147
VAL C 483
ILE C 487
ILE C 192
ILE C 461
 None
 1.17A 5hw8A-5fseC:
undetectable
5hw8D-5fseC:
undetectable		 5hw8A-5fseC:
12.04
5hw8D-5fseC:
12.04
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.
5h5l GLUTATHIONE
S-TRANSFERASE S2

(Nilaparvata
lugens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PHE A 133
ILE A  92
ILE A 154
ILE A 170
ILE A 171
 None
 1.05A 5hw8A-5h5lA:
undetectable
5hw8D-5h5lA:
undetectable		 5hw8A-5h5lA:
23.83
5hw8D-5h5lA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hde TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 12

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ARG A  13
PHE A 260
ILE A 266
TYR A 283
ILE A  11
 None
 1.15A 5hw8A-5hdeA:
undetectable
5hw8D-5hdeA:
undetectable		 5hw8A-5hdeA:
17.15
5hw8D-5hdeA:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i7p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
 None
 0.67A 5hw8A-5i7pA:
17.3
5hw8D-5i7pA:
17.3		 5hw8A-5i7pA:
32.28
5hw8D-5i7pA:
32.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i7q PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE 16
KDA PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE,PEPTIDYL-P
ROLYL CIS-TRANS
ISOMERASE FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
 None
 0.64A 5hw8A-5i7qA:
17.6
5hw8D-5i7qA:
17.6		 5hw8A-5i7qA:
32.94
5hw8D-5i7qA:
32.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		8 TYR A  30
ARG A  46
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 102
 None
 1.14A 5hw8A-5i98A:
23.7
5hw8D-5i98A:
24.3		 5hw8A-5i98A:
100.00
5hw8D-5i98A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		8 TYR A  30
ASP A  41
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 102
 None
 1.12A 5hw8A-5i98A:
23.7
5hw8D-5i98A:
24.3		 5hw8A-5i98A:
100.00
5hw8D-5i98A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		8 TYR A  30
ASP A  41
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 106
 None
 0.54A 5hw8A-5i98A:
23.7
5hw8D-5i98A:
24.3		 5hw8A-5i98A:
100.00
5hw8D-5i98A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j6e FK506-BINDING
PROTEIN 1A

(Aspergillus
fumigatus) 		PF00254
(FKBP_C) 		9 TYR A  27
ASP A  38
ARG A  43
PHE A  47
VAL A  56
ILE A  57
TRP A  60
TYR A  83
ILE A  92
 None
 0.78A 5hw8A-5j6eA:
20.0
5hw8D-5j6eA:
19.8		 5hw8A-5j6eA:
46.72
5hw8D-5j6eA:
46.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jcv LMO2181 PROTEIN

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 ASP A 125
VAL A  75
ILE A  89
TYR A 161
ILE A 221
 None
 1.09A 5hw8A-5jcvA:
undetectable
5hw8D-5jcvA:
undetectable		 5hw8A-5jcvA:
19.35
5hw8D-5jcvA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		5 ASP A 533
ILE A 575
ILE A 691
ILE A 467
ILE A 463
 None
 1.03A 5hw8A-5nvrA:
undetectable
5hw8D-5nvrA:
undetectable		 5hw8A-5nvrA:
8.73
5hw8D-5nvrA:
8.73
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.
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF12010
(DUF3502) 		5 TYR A 216
PHE A 214
VAL A 241
ILE A 448
ILE A 308
 IOD  A 516 (-4.9A)
None
None
None
None
 1.12A 5hw8A-5suoA:
undetectable
5hw8D-5suoA:
undetectable		 5hw8A-5suoA:
14.82
5hw8D-5suoA:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5unl 3-KETOACYL-ACP
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 TYR A 161
TYR A 221
ILE A 203
ILE A 236
ILE A  24
 None
EDO  A 301 (-3.6A)
None
None
None
 1.14A 5hw8A-5unlA:
undetectable
5hw8D-5unlA:
undetectable		 5hw8A-5unlA:
19.62
5hw8D-5unlA:
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 9 TYR A  33
ASP A  44
ARG A  49
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-4.0A)
8ZV  A 201 (-3.3A)
8ZV  A 201 (-4.6A)
8ZV  A 201 ( 4.8A)
 0.76A 5hw8A-5v8tA:
17.7
5hw8D-5v8tA:
17.8		 5hw8A-5v8tA:
19.33
5hw8D-5v8tA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		7 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.65A 5hw8A-5xb0A:
15.1
5hw8D-5xb0A:
15.2		 5hw8A-5xb0A:
27.94
5hw8D-5xb0A:
27.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b4p PEPTIDYLPROLYL
ISOMERASE

(Naegleria
fowleri) 		no annotation 9 TYR A  38
ASP A  49
ARG A  54
PHE A  58
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A  99
 None
 1.32A 5hw8A-6b4pA:
17.6
5hw8D-6b4pA:
17.8		 5hw8A-6b4pA:
37.68
5hw8D-6b4pA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b4p PEPTIDYLPROLYL
ISOMERASE

(Naegleria
fowleri) 		no annotation 8 TYR A  38
ASP A  49
ARG A  54
PHE A  58
VAL A  67
ILE A  68
TYR A  94
ILE A 103
 None
 0.63A 5hw8A-6b4pA:
17.6
5hw8D-6b4pA:
17.8		 5hw8A-6b4pA:
37.68
5hw8D-6b4pA:
37.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4m YERSINOPINE
DEHYDROGENASE

(Yersinia pestis) 		no annotation 5 ASP C  22
ILE C   9
ILE C  17
ILE C 195
ILE C 221
 None
 1.16A 5hw8A-6c4mC:
undetectable
5hw8D-6c4mC:
undetectable		 5hw8A-6c4mC:
20.49
5hw8D-6c4mC:
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.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 ILE A 299
TYR A 243
ILE A 218
ILE A 235
ILE A 231
 None
 1.05A 5hw8A-6c8zA:
undetectable
5hw8D-6c8zA:
undetectable		 5hw8A-6c8zA:
19.51
5hw8D-6c8zA:
19.51
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 PHE A 364
VAL A 377
ILE A 381
ILE A 292
ILE A 293
 None
 1.07A 5hw8A-6d35A:
undetectable
5hw8D-6d35A:
undetectable		 5hw8A-6d35A:
19.20
5hw8D-6d35A:
19.20