SIMILAR PATTERNS OF AMINO ACIDS FOR 1PBK_A_RAPA225

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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		5 ASP A 168
GLY A  52
VAL A  91
ILE A  92
ILE A 218
 None
 0.97A 1pbkA-1dj3A:
undetectable		 1pbkA-1dj3A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		8 TYR A 131
ASP A 142
VAL A 158
ILE A 159
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 0.63A 1pbkA-1fd9A:
15.9		 1pbkA-1fd9A:
24.11
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) 		8 TYR A  26
ASP A  37
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 None
 0.54A 1pbkA-1fkkA:
19.5		 1pbkA-1fkkA:
44.17
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
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.67A 1pbkA-1jvwA:
14.9		 1pbkA-1jvwA:
30.29
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
VAL A 119
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.45A 1pbkA-1jvwA:
14.9		 1pbkA-1jvwA:
30.29
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
GLY A  84
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.82A 1pbkA-1kt1A:
15.6		 1pbkA-1kt1A:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 TYR A  57
GLY A  84
VAL A  86
TRP A  90
ILE A 122
 None
 0.93A 1pbkA-1kt1A:
15.6		 1pbkA-1kt1A:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
GLY A  84
VAL A  86
TRP A  90
TYR A 113
PHE A 130
 None
 0.71A 1pbkA-1kt1A:
15.6		 1pbkA-1kt1A:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ktw IOTA-CARRAGEENASE

(Alteromonas sp.
ATCC 43554) 		PF12708
(Pectate_lyase_3) 		5 LEU A 234
GLY A 204
ILE A 172
ALA A 160
PHE A 175
 None
 0.94A 1pbkA-1ktwA:
undetectable		 1pbkA-1ktwA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 238
VAL A 236
ILE A 187
ALA A 157
ILE A 156
 None
 0.92A 1pbkA-1mjfA:
undetectable		 1pbkA-1mjfA:
16.67
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) 		9 TYR A  57
ASP A  68
GLY A  84
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.57A 1pbkA-1n1aA:
17.9		 1pbkA-1n1aA:
39.04
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.
1nkq HYPOTHETICAL 28.8
KDA PROTEIN IN
PSD1-SKO1 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF01557
(FAA_hydrolase) 		6 LEU A 122
GLY A  74
VAL A  45
ILE A  44
ALA A  91
ILE A 211
 None
 1.25A 1pbkA-1nkqA:
undetectable		 1pbkA-1nkqA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pfd FERREDOXIN

(Petroselinum
crispum) 		PF00111
(Fer2) 		5 GLY A  54
VAL A  86
ILE A  87
ALA A  28
ILE A  35
 None
 0.94A 1pbkA-1pfdA:
undetectable		 1pbkA-1pfdA:
23.73
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 GLY A 172
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 0.74A 1pbkA-1q6hA:
15.4		 1pbkA-1q6hA:
25.65
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		9 TYR A 146
ASP A 157
LEU A 166
VAL A 173
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 0.68A 1pbkA-1q6hA:
15.4		 1pbkA-1q6hA:
25.65
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) 		5 TYR A  40
ASP A  51
GLY A  65
TRP A  73
PHE A 113
 None
 0.88A 1pbkA-1r9hA:
18.7		 1pbkA-1r9hA:
40.94
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
GLY A  67
VAL A  69
ILE A  70
TRP A  73
TYR A  96
ILE A 105
PHE A 113
 None
 0.63A 1pbkA-1r9hA:
18.7		 1pbkA-1r9hA:
40.94
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.
1rhy IMIDAZOLE GLYCEROL
PHOSPHATE
DEHYDRATASE

(Cryptococcus
neoformans) 		PF00475
(IGPD) 		5 GLY A  99
ILE A 181
ALA A  88
ILE A  21
PHE A 148
 None
 1.00A 1pbkA-1rhyA:
undetectable		 1pbkA-1rhyA:
17.82
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 LEU A  36
GLY A  23
ILE A  28
TYR A 193
ILE A 263
 None
NAD  A 342 (-3.4A)
NAD  A 342 (-3.7A)
NAD  A 342 ( 4.6A)
None
 0.93A 1pbkA-1sb8A:
undetectable		 1pbkA-1sb8A:
17.03
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) 		6 TYR A  37
ASP A  48
LEU A  57
GLY A  62
TRP A  70
PHE A 121
 None
 1.11A 1pbkA-1u79A:
17.1		 1pbkA-1u79A:
33.82
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) 		10 TYR A  37
ASP A  48
LEU A  57
GLY A  64
VAL A  66
ILE A  67
TRP A  70
TYR A  99
ILE A 113
PHE A 121
 None
 0.49A 1pbkA-1u79A:
17.1		 1pbkA-1u79A:
33.82
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) 		9 TYR A  37
ASP A  48
LEU A  57
GLY A  64
VAL A  66
TRP A  70
ALA A 104
ILE A 113
PHE A 121
 None
 1.13A 1pbkA-1u79A:
17.1		 1pbkA-1u79A:
33.82
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.
1w1w STRUCTURAL
MAINTENANCE OF
CHROMOSOME 1

(Saccharomyces
cerevisiae) 		PF02463
(SMC_N) 		5 GLY A  33
ILE A  31
ALA A  45
ILE A  46
PHE A  23
 None
 0.98A 1pbkA-1w1wA:
undetectable		 1pbkA-1w1wA:
15.50
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.
1xip NUCLEOPORIN NUP159

(Saccharomyces
cerevisiae) 		PF16755
(NUP214) 		5 LEU A 296
VAL A 312
ILE A 313
ALA A 291
ILE A 287
 None
 0.96A 1pbkA-1xipA:
undetectable		 1pbkA-1xipA:
15.28
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
GLY A  53
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
None
FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 3.6A)
FK5  A 108 ( 4.7A)
None
None
 0.29A 1pbkA-1yatA:
19.4		 1pbkA-1yatA:
40.50
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.
2awg 38 KDA FK-506
BINDING PROTEIN

(Homo sapiens) 		PF00254
(FKBP_C) 		5 LEU A 143
VAL A 152
ILE A 153
TYR A 179
ILE A 188
 None
 0.65A 1pbkA-2awgA:
16.4		 1pbkA-2awgA:
28.91
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.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		5 LEU A  66
GLY A  20
VAL A  22
ILE A  23
ILE A 177
 None
 0.90A 1pbkA-2az4A:
undetectable		 1pbkA-2az4A:
14.99
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.
2ja1 THYMIDINE KINASE

(Bacillus cereus) 		PF00265
(TK) 		5 GLY A 115
VAL A 113
ILE A  87
ALA A  39
ILE A  40
 None
 0.89A 1pbkA-2ja1A:
undetectable		 1pbkA-2ja1A:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2lpv FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Aedes aegypti) 		PF00254
(FKBP_C) 		5 TYR A  27
GLY A  54
VAL A  56
ILE A  57
TRP A  60
 None
 0.96A 1pbkA-2lpvA:
16.5		 1pbkA-2lpvA:
45.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2mph PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3

(Homo sapiens) 		PF00254
(FKBP_C) 		6 ASP A 146
LEU A 162
GLY A 169
VAL A 171
ILE A 172
TRP A 175
 None
 1.24A 1pbkA-2mphA:
18.1		 1pbkA-2mphA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2mph PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A 135
LEU A 162
GLY A 169
VAL A 171
ILE A 172
TRP A 175
PHE A 216
 None
 1.24A 1pbkA-2mphA:
18.1		 1pbkA-2mphA:
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.
2odo ALANINE RACEMASE

(Pseudomonas
fluorescens) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 210
VAL A  31
ILE A  32
ALA A  73
ILE A  71
 LLP  A  33 ( 3.2A)
LLP  A  33 ( 4.6A)
LLP  A  33 ( 4.3A)
None
None
 0.98A 1pbkA-2odoA:
undetectable		 1pbkA-2odoA:
15.34
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) 		9 TYR A  56
ASP A  67
GLY A  83
VAL A  85
ILE A  86
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 PEG  A 201 (-4.4A)
None
None
PEG  A 201 (-3.6A)
PEG  A 201 (-3.8A)
PEG  A 201 (-3.7A)
None
None
None
 0.50A 1pbkA-2pbcA:
15.0		 1pbkA-2pbcA:
43.97
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) 		7 TYR A  56
ASP A  67
VAL A  85
TRP A  89
ALA A 117
ILE A 121
PHE A 129
 PEG  A 201 (-4.4A)
None
PEG  A 201 (-3.6A)
PEG  A 201 (-3.7A)
None
None
None
 1.13A 1pbkA-2pbcA:
15.0		 1pbkA-2pbcA:
43.97
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		5 LEU A 626
ILE A 612
ALA A 671
ILE A 668
PHE A 693
 None
 0.96A 1pbkA-2qzaA:
undetectable		 1pbkA-2qzaA:
11.30
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
PHE A 126
 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 ( 4.7A)
 0.80A 1pbkA-2vcdA:
13.4		 1pbkA-2vcdA:
31.76
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) 		5 TYR A  55
VAL A  82
ILE A  83
TRP A  86
TYR A 109
 RAP  A 138 (-2.6A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
RAP  A 138 (-3.8A)
 0.63A 1pbkA-2vcdA:
13.4		 1pbkA-2vcdA:
31.76
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
GLY A  72
VAL A  74
ILE A  75
TRP A  78
TYR A 101
ILE A 110
PHE A 118
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
None
FK5  A 501 (-3.5A)
FK5  A 501 (-4.3A)
FK5  A 501 (-3.3A)
FK5  A 501 (-4.7A)
None
FK5  A 501 (-4.8A)
 0.33A 1pbkA-2vn1A:
18.1		 1pbkA-2vn1A:
35.82
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) 		6 TYR A  33
ASP A  44
GLY A  59
TRP A  66
ALA A  94
PHE A 106
 None
 1.15A 1pbkA-2y78A:
17.3		 1pbkA-2y78A:
40.48
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
GLY A  60
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.65A 1pbkA-2y78A:
17.3		 1pbkA-2y78A:
40.48
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) 		8 TYR A  33
ASP A  44
GLY A  60
VAL A  62
TRP A  66
ALA A  94
ILE A  98
PHE A 106
 None
 1.21A 1pbkA-2y78A:
17.3		 1pbkA-2y78A:
40.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b7x FK506-BINDING
PROTEIN 6

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  61
ASP A  73
TYR A 118
ILE A 127
PHE A 135
 None
 0.88A 1pbkA-3b7xA:
14.9		 1pbkA-3b7xA:
31.16
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLY A 265
VAL A 267
ILE A 308
ALA A 304
ILE A  77
 None
 0.95A 1pbkA-3dy5A:
undetectable		 1pbkA-3dy5A:
7.90
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.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		6 ASP A 124
GLY A  10
VAL A  68
ILE A  69
ALA A 112
ILE A 111
 None
 1.16A 1pbkA-3g0oA:
undetectable		 1pbkA-3g0oA:
17.93
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 LEU A 323
VAL A 285
ILE A 254
ALA A 276
ILE A 245
 None
 0.96A 1pbkA-3gxoA:
undetectable		 1pbkA-3gxoA:
15.89
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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 200
LEU A 287
GLY A 280
ALA A 183
ILE A 187
 None
 0.87A 1pbkA-3ldgA:
undetectable		 1pbkA-3ldgA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n4p TERMINASE SUBUNIT
UL89 PROTEIN

(Human
betaherpesvirus
5) 		PF02499
(DNA_pack_C) 		5 TYR A 661
ASP A 582
LEU A 662
GLY A 476
ILE A 654
 None
 0.99A 1pbkA-3n4pA:
undetectable		 1pbkA-3n4pA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.78A 1pbkA-3o5dA:
18.2		 1pbkA-3o5dA:
21.18
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.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
GLY A  84
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.61A 1pbkA-3o5dA:
18.2		 1pbkA-3o5dA:
21.18
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) 		7 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
 0.67A 1pbkA-3o5eA:
18.2		 1pbkA-3o5eA:
38.35
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) 		8 TYR A  57
GLY A  84
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.74A 1pbkA-3o5eA:
18.2		 1pbkA-3o5eA:
38.35
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
GLY A  71
VAL A  73
ILE A  74
TRP A  77
TYR A 100
ILE A 109
PHE A 117
 None
 0.67A 1pbkA-3pa7A:
18.0		 1pbkA-3pa7A:
33.08
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) 		9 TYR A 313
ASP A 324
GLY A 339
VAL A 341
ILE A 342
TRP A 345
TYR A 368
ILE A 376
PHE A 384
 None
 1.00A 1pbkA-4bf8A:
15.7		 1pbkA-4bf8A:
41.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dip PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP14

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  52
TRP A  88
TYR A 111
ILE A 119
PHE A 127
 None
 0.58A 1pbkA-4dipA:
16.4		 1pbkA-4dipA:
36.36
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) 		5 TYR A  33
ASP A  44
GLY A  59
TRP A  66
PHE A 106
 FK5  A 201 ( 3.9A)
FK5  A 201 (-3.5A)
None
FK5  A 201 (-3.4A)
FK5  A 201 (-4.8A)
 0.79A 1pbkA-4dz3A:
18.1		 1pbkA-4dz3A:
41.32
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
GLY A  60
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 FK5  A 201 ( 3.9A)
FK5  A 201 (-3.5A)
None
FK5  A 201 ( 3.6A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.7A)
None
FK5  A 201 (-4.8A)
 0.37A 1pbkA-4dz3A:
18.1		 1pbkA-4dz3A:
41.32
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) 		7 TYR A  33
GLY A  60
VAL A  62
TRP A  66
ALA A  94
ILE A  98
PHE A 106
 FK5  A 201 ( 3.9A)
None
FK5  A 201 ( 3.6A)
FK5  A 201 (-3.4A)
FK5  A 201 ( 4.6A)
None
FK5  A 201 (-4.8A)
 1.03A 1pbkA-4dz3A:
18.1		 1pbkA-4dz3A:
41.32
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 ASP A  88
GLY A  51
VAL A  47
TYR A 271
ALA A 203
 PO4  A 300 (-2.9A)
None
None
None
None
 0.95A 1pbkA-4ecfA:
undetectable		 1pbkA-4ecfA:
18.58
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
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.72A 1pbkA-4iqcA:
19.2		 1pbkA-4iqcA:
42.37
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
VAL A  55
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.73A 1pbkA-4iqcA:
19.2		 1pbkA-4iqcA:
42.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  57
ASP A  68
GLY A  82
TRP A  90
PHE A 130
 None
None
None
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.95A 1pbkA-4lawA:
19.2		 1pbkA-4lawA:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
GLY A  84
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.65A 1pbkA-4lawA:
19.2		 1pbkA-4lawA:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
GLY A  84
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.50A 1pbkA-4lawA:
19.2		 1pbkA-4lawA:
33.15
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.
4msp PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP14

(Homo sapiens) 		PF00254
(FKBP_C)
PF13499
(EF-hand_7) 		5 TYR A  33
TRP A  69
TYR A  92
ILE A 100
PHE A 108
 None
 0.52A 1pbkA-4mspA:
17.0		 1pbkA-4mspA:
28.57
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) 		9 TYR A  56
ASP A  67
GLY A  83
VAL A  85
ILE A  86
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 FK5  A 201 (-4.1A)
FK5  A 201 (-3.4A)
None
FK5  A 201 (-3.4A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.5A)
FK5  A 201 (-4.5A)
None
FK5  A 201 (-4.9A)
 0.28A 1pbkA-4nnrA:
15.6		 1pbkA-4nnrA:
38.62
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) 		7 TYR A  56
GLY A  83
VAL A  85
TRP A  89
ALA A 117
ILE A 121
PHE A 129
 FK5  A 201 (-4.1A)
None
FK5  A 201 (-3.4A)
FK5  A 201 (-3.5A)
FK5  A 201 ( 4.6A)
None
FK5  A 201 (-4.9A)
 1.13A 1pbkA-4nnrA:
15.6		 1pbkA-4nnrA:
38.62
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.
4odm PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Thermus
thermophilus) 		PF00254
(FKBP_C) 		6 TYR A  13
ASP A  23
LEU A  27
ILE A  37
TYR A  63
PHE A 128
 None
 0.78A 1pbkA-4odmA:
11.5		 1pbkA-4odmA:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4odr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA

(Homo sapiens;
Thermus
thermophilus) 		PF00254
(FKBP_C) 		7 TYR A  13
ASP A  23
LEU A  27
ILE A  37
TYR A  63
ILE A  72
PHE A  80
 FK5  A 201 ( 3.6A)
FK5  A 201 (-3.6A)
FK5  A 201 (-4.1A)
FK5  A 201 (-3.9A)
FK5  A 201 (-4.4A)
None
FK5  A 201 ( 4.8A)
 0.49A 1pbkA-4odrA:
13.2		 1pbkA-4odrA:
28.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7l UNCHARACTERIZED ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0288

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 LEU A 427
GLY A 416
VAL A 414
ILE A 355
ILE A 397
 None
 0.95A 1pbkA-4q7lA:
undetectable		 1pbkA-4q7lA:
18.22
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
VAL A  86
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
 0.71A 1pbkA-4r0xA:
18.6		 1pbkA-4r0xA:
37.50
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
GLY A  84
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.66A 1pbkA-4r0xA:
18.6		 1pbkA-4r0xA:
37.50
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.
4zrm UDP-GLUCOSE
4-EPIMERASE

(Thermotoga
maritima) 		PF01370
(Epimerase) 		5 LEU A  20
GLY A   7
ILE A  12
TYR A 170
ILE A 236
 None
NAD  A 401 (-3.5A)
NAD  A 401 (-4.0A)
NAD  A 401 (-4.7A)
None
 0.98A 1pbkA-4zrmA:
undetectable		 1pbkA-4zrmA:
17.95
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.
4zwj CHIMERA PROTEIN OF
HUMAN RHODOPSIN,
MOUSE S-ARRESTIN,
AND T4 ENDOLYSIN

(Escherichia
virus T4;
Homo sapiens;
Mus musculus) 		PF00001
(7tm_1)
PF00339
(Arrestin_N)
PF00959
(Phage_lysozyme)
PF02752
(Arrestin_C)
PF10413
(Rhodopsin_N) 		5 ASP A2043
LEU A2108
ILE A2025
ILE A2175
PHE A2119
 None
 0.97A 1pbkA-4zwjA:
undetectable		 1pbkA-4zwjA:
8.89
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) 		5 TYR C  36
ASP C  56
GLY C  69
TRP C  77
PHE C 117
 FK5  C 201 (-4.1A)
FK5  C 201 ( 3.8A)
None
FK5  C 201 (-3.4A)
FK5  C 201 (-4.7A)
 0.99A 1pbkA-5b8iC:
18.9		 1pbkA-5b8iC:
41.98
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
GLY C  71
VAL C  73
ILE C  74
TRP C  77
TYR C 100
ILE C 109
PHE C 117
 FK5  C 201 (-4.1A)
FK5  C 201 ( 3.8A)
None
FK5  C 201 (-3.5A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.4A)
FK5  C 201 (-4.5A)
None
FK5  C 201 (-4.7A)
 0.36A 1pbkA-5b8iC:
18.9		 1pbkA-5b8iC:
41.98
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) 		5 TYR A  26
ASP A  37
GLY A  51
TRP A  59
PHE A 146
 None
 0.86A 1pbkA-5i7pA:
17.6		 1pbkA-5i7pA:
31.93
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) 		7 TYR A  26
ASP A  37
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 146
 None
 0.51A 1pbkA-5i7pA:
17.6		 1pbkA-5i7pA:
31.93
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) 		7 TYR A  26
ASP A  37
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 147
 None
 0.50A 1pbkA-5i7qA:
17.9		 1pbkA-5i7qA:
31.14
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) 		5 TYR A  30
ASP A  41
GLY A  55
TRP A  63
PHE A 114
 None
 0.93A 1pbkA-5i98A:
18.2		 1pbkA-5i98A:
39.84
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
GLY A  57
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 102
 None
 1.26A 1pbkA-5i98A:
18.2		 1pbkA-5i98A:
39.84
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) 		9 TYR A  30
ASP A  41
GLY A  57
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 106
PHE A 114
 None
 0.54A 1pbkA-5i98A:
18.2		 1pbkA-5i98A:
39.84
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 LEU A 260
ILE A 218
TYR A 143
ALA A 117
ILE A 147
 None
 1.00A 1pbkA-5ijlA:
undetectable		 1pbkA-5ijlA:
7.50
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
GLY A  54
VAL A  56
ILE A  57
TRP A  60
TYR A  83
ILE A  92
PHE A 100
 None
 0.59A 1pbkA-5j6eA:
19.5		 1pbkA-5j6eA:
44.83
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.
5jb3 30S RIBOSOMAL
PROTEIN S9

(Pyrococcus
abyssi) 		PF00380
(Ribosomal_S9) 		5 LEU K 107
GLY K  91
VAL K  87
ALA K  17
ILE K  62
 None
 0.99A 1pbkA-5jb3K:
undetectable		 1pbkA-5jb3K:
20.29
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 6 TYR A  33
ASP A  44
GLY A  58
TRP A  66
ALA A  94
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
None
8ZV  A 201 (-3.3A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-4.6A)
 1.33A 1pbkA-5v8tA:
17.8		 1pbkA-5v8tA:
22.64
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 6 TYR A  33
ASP A  44
GLY A  59
TRP A  66
ALA A  94
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
None
8ZV  A 201 (-3.3A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-4.6A)
 1.16A 1pbkA-5v8tA:
17.8		 1pbkA-5v8tA:
22.64
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 9 TYR A  33
ASP A  44
GLY A  60
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
None
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)
8ZV  A 201 (-4.6A)
 0.35A 1pbkA-5v8tA:
17.8		 1pbkA-5v8tA:
22.64
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 6 TYR A  33
ASP A  44
TRP A  66
ALA A  94
ILE A  98
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.3A)
8ZV  A 201 (-3.9A)
8ZV  A 201 ( 4.8A)
8ZV  A 201 (-4.6A)
 1.18A 1pbkA-5v8tA:
17.8		 1pbkA-5v8tA:
22.64
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 LEU A 326
VAL A 403
ILE A 334
ALA A 341
PHE A 485
 None
 1.00A 1pbkA-5wabA:
undetectable		 1pbkA-5wabA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		8 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 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
None
 0.70A 1pbkA-5xb0A:
15.2		 1pbkA-5xb0A:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		6 VAL A 171
ILE A 172
TRP A 175
ALA A 203
ILE A 207
PHE A 215
 TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.23A 1pbkA-5xb0A:
15.2		 1pbkA-5xb0A:
31.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 ASP A 429
LEU A 238
GLY A 225
ILE A 230
ILE A 441
 None
None
NAP  A 501 (-3.6A)
NAP  A 501 (-3.9A)
None
 0.98A 1pbkA-5xwwA:
undetectable		 1pbkA-5xwwA:
18.70
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
GLY A  65
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A  99
 None
 1.36A 1pbkA-6b4pA:
18.1		 1pbkA-6b4pA:
38.02
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
GLY A  65
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A 103
PHE A 111
 None
 0.59A 1pbkA-6b4pA:
18.1		 1pbkA-6b4pA:
38.02
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.
6cdd NPL4 ZINC FINGER

(Chaetomium
thermophilum) 		no annotation 6 ASP A 314
LEU A 321
GLY A 343
VAL A 344
ILE A 345
ALA A 274
 None
 1.34A 1pbkA-6cddA:
undetectable		 1pbkA-6cddA:
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 5 GLY A 321
VAL A 320
ILE A 326
ILE A 313
PHE A 383
 EDO  A 505 (-3.3A)
None
None
None
None
 0.89A 1pbkA-6cmjA:
undetectable		 1pbkA-6cmjA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B  47
GLY B 644
VAL B 646
ALA B 660
ILE B 659
 None
 0.92A 1pbkA-6f42B:
undetectable		 1pbkA-6f42B:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 LEU A 125
GLY A 419
VAL A 421
ILE A 422
ILE A 357
 None
 0.98A 1pbkA-6g45A:
undetectable		 1pbkA-6g45A:
20.51