SIMILAR PATTERNS OF AMINO ACIDS FOR 5HW8_F_FK5F201

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 TYR A 131
ASP A 142
VAL A 158
ILE A 159
TYR A 185
PHE A 202
 None
 0.65A 5hw8B-1fd9A:
15.7
5hw8F-1fd9A:
12.8
5hw8G-1fd9A:
15.4		 5hw8B-1fd9A:
23.11
5hw8F-1fd9A:
23.11
5hw8G-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) 		6 TYR A 131
VAL A 158
ILE A 159
TRP A 162
TYR A 185
PHE A 202
 None
 0.41A 5hw8B-1fd9A:
15.7
5hw8F-1fd9A:
12.8
5hw8G-1fd9A:
15.4		 5hw8B-1fd9A:
23.11
5hw8F-1fd9A:
23.11
5hw8G-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
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  90
PHE A  99
 None
 0.62A 5hw8B-1fkkA:
18.8
5hw8F-1fkkA:
15.0
5hw8G-1fkkA:
18.0		 5hw8B-1fkkA:
45.83
5hw8F-1fkkA:
45.83
5hw8G-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
TRP A  59
ILE A  90
PHE A  99
 None
 0.92A 5hw8B-1fkkA:
18.8
5hw8F-1fkkA:
15.0
5hw8G-1fkkA:
18.0		 5hw8B-1fkkA:
45.83
5hw8F-1fkkA:
45.83
5hw8G-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.
1gmm CBM6

(Ruminiclostridium
thermocellum) 		PF03422
(CBM_6) 		5 VAL A  59
ILE A 121
ILE A   7
PHE A 115
ILE A 102
 None
 1.05A 5hw8B-1gmmA:
undetectable
5hw8F-1gmmA:
undetectable
5hw8G-1gmmA:
undetectable		 5hw8B-1gmmA:
21.01
5hw8F-1gmmA:
21.01
5hw8G-1gmmA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 TYR A 297
TYR A  67
ILE A  68
PHE A 300
ILE A 407
 GOL  A1450 ( 4.8A)
GOL  A1450 (-4.6A)
None
None
None
 1.11A 5hw8B-1h4pA:
undetectable
5hw8F-1h4pA:
undetectable
5hw8G-1h4pA:
undetectable		 5hw8B-1h4pA:
14.77
5hw8F-1h4pA:
14.77
5hw8G-1h4pA:
14.77
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
PHE A 163
 None
 1.06A 5hw8B-1jvwA:
15.0
5hw8F-1jvwA:
11.8
5hw8G-1jvwA:
14.3		 5hw8B-1jvwA:
32.47
5hw8F-1jvwA:
32.47
5hw8G-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) 		5 TYR A  92
ASP A 103
ILE A 120
TYR A 146
PHE A 163
 None
 0.77A 5hw8B-1jvwA:
15.0
5hw8F-1jvwA:
11.8
5hw8G-1jvwA:
14.3		 5hw8B-1jvwA:
32.47
5hw8F-1jvwA:
32.47
5hw8G-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) 		6 TYR A  92
VAL A 119
ILE A 120
TRP A 123
TYR A 146
PHE A 163
 None
 0.46A 5hw8B-1jvwA:
15.0
5hw8F-1jvwA:
11.8
5hw8G-1jvwA:
14.3		 5hw8B-1jvwA:
32.47
5hw8F-1jvwA:
32.47
5hw8G-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 PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.94A 5hw8B-1kt1A:
14.4
5hw8F-1kt1A:
11.9
5hw8G-1kt1A:
14.6		 5hw8B-1kt1A:
18.80
5hw8F-1kt1A:
18.80
5hw8G-1kt1A:
18.80
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
PHE A  77
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
 0.96A 5hw8B-1kt1A:
14.4
5hw8F-1kt1A:
11.9
5hw8G-1kt1A:
14.6		 5hw8B-1kt1A:
18.80
5hw8F-1kt1A:
18.80
5hw8G-1kt1A:
18.80
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.
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
ILE A 122
PHE A 130
 None
 0.76A 5hw8B-1kt1A:
14.4
5hw8F-1kt1A:
11.9
5hw8G-1kt1A:
14.6		 5hw8B-1kt1A:
18.80
5hw8F-1kt1A:
18.80
5hw8G-1kt1A:
18.80
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.
1m1s WR4

(Caenorhabditis
elegans) 		PF00635
(Motile_Sperm) 		5 VAL A 146
ILE A 121
ILE A 101
PHE A 190
ILE A 200
 None
 1.01A 5hw8B-1m1sA:
undetectable
5hw8F-1m1sA:
undetectable
5hw8G-1m1sA:
undetectable		 5hw8B-1m1sA:
20.44
5hw8F-1m1sA:
20.44
5hw8G-1m1sA:
20.44
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
PHE A 130
 None
 0.61A 5hw8B-1n1aA:
16.5
5hw8F-1n1aA:
13.5
5hw8G-1n1aA:
16.6		 5hw8B-1n1aA:
36.49
5hw8F-1n1aA:
36.49
5hw8G-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
PHE A 216
 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)
None
 0.41A 5hw8B-1pbkA:
17.9
5hw8F-1pbkA:
15.0
5hw8G-1pbkA:
17.4		 5hw8B-1pbkA:
40.00
5hw8F-1pbkA:
40.00
5hw8G-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) 		6 TYR A 146
ASP A 157
ILE A 174
TRP A 177
TYR A 200
PHE A 216
 None
 0.76A 5hw8B-1q6hA:
15.6
5hw8F-1q6hA:
12.7
5hw8G-1q6hA:
15.2		 5hw8B-1q6hA:
25.63
5hw8F-1q6hA:
25.63
5hw8G-1q6hA:
25.63
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 TYR A 146
VAL A 173
ILE A 174
TRP A 177
TYR A 200
PHE A 216
 None
 0.50A 5hw8B-1q6hA:
15.6
5hw8F-1q6hA:
12.7
5hw8G-1q6hA:
15.2		 5hw8B-1q6hA:
25.63
5hw8F-1q6hA:
25.63
5hw8G-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) 		7 TYR A  40
ASP A  51
PHE A  60
ILE A  70
TRP A  73
TYR A  96
PHE A 113
 None
 0.68A 5hw8B-1r9hA:
18.1
5hw8F-1r9hA:
14.6
5hw8G-1r9hA:
17.7		 5hw8B-1r9hA:
34.93
5hw8F-1r9hA:
34.93
5hw8G-1r9hA:
34.93
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) 		7 TYR A  40
PHE A  60
VAL A  69
ILE A  70
TRP A  73
TYR A  96
PHE A 113
 None
 0.35A 5hw8B-1r9hA:
18.1
5hw8F-1r9hA:
14.6
5hw8G-1r9hA:
17.7		 5hw8B-1r9hA:
34.93
5hw8F-1r9hA:
34.93
5hw8G-1r9hA:
34.93
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
PHE A 121
 None
 0.63A 5hw8B-1u79A:
18.1
5hw8F-1u79A:
15.4
5hw8G-1u79A:
17.4		 5hw8B-1u79A:
40.30
5hw8F-1u79A:
40.30
5hw8G-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.
1vim HYPOTHETICAL PROTEIN
AF1796

(Archaeoglobus
fulgidus) 		PF01380
(SIS) 		5 PHE A 156
VAL A  24
ILE A  28
ILE A  37
ILE A  83
 None
 1.00A 5hw8B-1vimA:
undetectable
5hw8F-1vimA:
undetectable
5hw8G-1vimA:
undetectable		 5hw8B-1vimA:
21.00
5hw8F-1vimA:
21.00
5hw8G-1vimA:
21.00
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.
1wba WINGED BEAN ALBUMIN
1

(Psophocarpus
tetragonolobus) 		PF00197
(Kunitz_legume) 		5 ARG A 155
PHE A 118
VAL A  94
ILE A 146
ILE A  21
 None
 1.01A 5hw8B-1wbaA:
undetectable
5hw8F-1wbaA:
undetectable
5hw8G-1wbaA:
undetectable		 5hw8B-1wbaA:
21.76
5hw8F-1wbaA:
21.76
5hw8G-1wbaA:
21.76
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) 		8 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A  99
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
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
 0.45A 5hw8B-1yatA:
19.6
5hw8F-1yatA:
15.4
5hw8G-1yatA:
18.7		 5hw8B-1yatA:
55.65
5hw8F-1yatA:
55.65
5hw8G-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.
2bm3 SCAFFOLDING DOCKERIN
BINDING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 PHE A 134
VAL A  28
ILE A 117
ILE A  33
ILE A 157
 None
 1.02A 5hw8B-2bm3A:
undetectable
5hw8F-2bm3A:
undetectable
5hw8G-2bm3A:
undetectable		 5hw8B-2bm3A:
26.04
5hw8F-2bm3A:
26.04
5hw8G-2bm3A:
26.04
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.
2c4n PROTEIN NAGD

(Escherichia
coli) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 VAL A 249
ILE A 250
ILE A   7
PHE A  27
ILE A 207
 None
 0.99A 5hw8B-2c4nA:
undetectable
5hw8F-2c4nA:
undetectable
5hw8G-2c4nA:
undetectable		 5hw8B-2c4nA:
20.31
5hw8F-2c4nA:
20.31
5hw8G-2c4nA:
20.31
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.
2hf7 CLASS B ACID
PHOSPHATASE

(Escherichia
coli) 		PF03767
(Acid_phosphat_B) 		5 ASP A 171
VAL A 140
ILE A 141
ILE A 161
ILE A 185
 MG  A 700 ( 4.5A)
None
None
None
None
 1.11A 5hw8B-2hf7A:
undetectable
5hw8F-2hf7A:
undetectable
5hw8G-2hf7A:
undetectable		 5hw8B-2hf7A:
23.50
5hw8F-2hf7A:
23.50
5hw8G-2hf7A:
23.50
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
PHE A  47
VAL A  56
ILE A  57
TRP A  60
 None
 0.85A 5hw8B-2lpvA:
16.2
5hw8F-2lpvA:
13.0
5hw8G-2lpvA:
15.7		 5hw8B-2lpvA:
46.67
5hw8F-2lpvA:
46.67
5hw8G-2lpvA:
46.67
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
PHE A 129
 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
 0.62A 5hw8B-2pbcA:
15.3
5hw8F-2pbcA:
12.8
5hw8G-2pbcA:
14.5		 5hw8B-2pbcA:
44.14
5hw8F-2pbcA:
44.14
5hw8G-2pbcA:
44.14
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) 		5 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A 121
 PEG  A 201 (-4.4A)
None
PEG  A 201 ( 3.9A)
PEG  A 201 (-3.6A)
None
 1.04A 5hw8B-2pbcA:
15.3
5hw8F-2pbcA:
12.8
5hw8G-2pbcA:
14.5		 5hw8B-2pbcA:
44.14
5hw8F-2pbcA:
44.14
5hw8G-2pbcA:
44.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcn S-ADENOSYLMETHIONINE
:2-DEMETHYLMENAQUINO
NE METHYLTRANSFERASE

(Geobacillus
kaustophilus) 		PF03737
(RraA-like) 		5 VAL A  62
ILE A  96
ILE A 102
PHE A  32
ILE A  81
 None
 1.12A 5hw8B-2pcnA:
undetectable
5hw8F-2pcnA:
undetectable
5hw8G-2pcnA:
undetectable		 5hw8B-2pcnA:
22.70
5hw8F-2pcnA:
22.70
5hw8G-2pcnA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pd2 HYPOTHETICAL PROTEIN
ST0148

(Sulfurisphaera
tokodaii) 		PF02635
(DrsE) 		5 ARG A  51
PHE A  10
ILE A  82
ILE A  85
ILE A   7
 None
 1.08A 5hw8B-2pd2A:
undetectable
5hw8F-2pd2A:
undetectable
5hw8G-2pd2A:
undetectable		 5hw8B-2pd2A:
19.05
5hw8F-2pd2A:
19.05
5hw8G-2pd2A:
19.05
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		5 ASP A  95
ILE A  28
TYR A  20
ILE A 100
ILE A 135
 None
 0.99A 5hw8B-2q0xA:
undetectable
5hw8F-2q0xA:
undetectable
5hw8G-2q0xA:
undetectable		 5hw8B-2q0xA:
17.34
5hw8F-2q0xA:
17.34
5hw8G-2q0xA:
17.34
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)
 0.79A 5hw8B-2vcdA:
13.2
5hw8F-2vcdA:
10.5
5hw8G-2vcdA:
13.1		 5hw8B-2vcdA:
34.90
5hw8F-2vcdA:
34.90
5hw8G-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
VAL A  82
ILE A  83
TRP A  86
TYR A 109
PHE A 126
 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)
RAP  A 138 ( 4.7A)
 0.85A 5hw8B-2vcdA:
13.2
5hw8F-2vcdA:
10.5
5hw8G-2vcdA:
13.1		 5hw8B-2vcdA:
34.90
5hw8F-2vcdA:
34.90
5hw8G-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) 		8 TYR A  44
ASP A  56
PHE A  65
VAL A  74
ILE A  75
TRP A  78
TYR A 101
PHE A 118
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
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)
FK5  A 501 (-4.8A)
 0.45A 5hw8B-2vn1A:
17.6
5hw8F-2vn1A:
14.5
5hw8G-2vn1A:
17.4		 5hw8B-2vn1A:
33.09
5hw8F-2vn1A:
33.09
5hw8G-2vn1A:
33.09
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) 		5 TYR A  33
ASP A  44
PHE A  53
ILE A  63
TYR A  89
 None
 0.76A 5hw8B-2y78A:
17.2
5hw8F-2y78A:
14.2
5hw8G-2y78A:
16.5		 5hw8B-2y78A:
47.90
5hw8F-2y78A:
47.90
5hw8G-2y78A:
47.90
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) 		7 TYR A  33
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
PHE A 106
 None
 0.45A 5hw8B-2y78A:
17.2
5hw8F-2y78A:
14.2
5hw8G-2y78A:
16.5		 5hw8B-2y78A:
47.90
5hw8F-2y78A:
47.90
5hw8G-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.
2zu6 PROGRAMMED CELL
DEATH PROTEIN 4

(Homo sapiens) 		PF02847
(MA3) 		5 PHE B 380
ILE B 368
TYR B 405
ILE B 439
ILE B 438
 None
 1.10A 5hw8B-2zu6B:
undetectable
5hw8F-2zu6B:
undetectable
5hw8G-2zu6B:
undetectable		 5hw8B-2zu6B:
18.94
5hw8F-2zu6B:
18.94
5hw8G-2zu6B:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hkz DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
G (RPOG)

(Sulfolobus
solfataricus) 		PF16992
(RNA_pol_RpbG) 		5 TYR G  92
PHE G  40
VAL G  57
ILE G  59
ILE G  46
 None
 1.12A 5hw8B-3hkzG:
undetectable
5hw8F-3hkzG:
undetectable
5hw8G-3hkzG:
undetectable		 5hw8B-3hkzG:
20.86
5hw8F-3hkzG:
20.86
5hw8G-3hkzG:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ilr HEPARIN LYASE I

(Bacteroides
thetaiotaomicron) 		PF14099
(Polysacc_lyase) 		5 PHE A 231
VAL A 297
ILE A 299
TRP A 150
ILE A 340
 None
 0.99A 5hw8B-3ilrA:
undetectable
5hw8F-3ilrA:
undetectable
5hw8G-3ilrA:
undetectable		 5hw8B-3ilrA:
14.71
5hw8F-3ilrA:
14.71
5hw8G-3ilrA:
14.71
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.
3nkg UNCHARACTERIZED
PROTEIN
GEBA250068378

(Sulfurospirillum
deleyianum) 		no annotation 5 ASP A 161
PHE A  35
ILE A 132
ILE A 146
ILE A   6
 None
 1.13A 5hw8B-3nkgA:
undetectable
5hw8F-3nkgA:
undetectable
5hw8G-3nkgA:
undetectable		 5hw8B-3nkgA:
24.04
5hw8F-3nkgA:
24.04
5hw8G-3nkgA:
24.04
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.
3o5d 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
PHE A 130
 None
 0.75A 5hw8B-3o5dA:
17.1
5hw8F-3o5dA:
14.2
5hw8G-3o5dA:
16.6		 5hw8B-3o5dA:
27.20
5hw8F-3o5dA:
27.20
5hw8G-3o5dA:
27.20
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.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.61A 5hw8B-3o5dA:
17.1
5hw8F-3o5dA:
14.2
5hw8G-3o5dA:
16.6		 5hw8B-3o5dA:
27.20
5hw8F-3o5dA:
27.20
5hw8G-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 TYR A  57
ASP A  68
PHE A  77
ILE A  87
TYR A 113
PHE A 130
 None
 0.72A 5hw8B-3o5eA:
17.1
5hw8F-3o5eA:
14.1
5hw8G-3o5eA:
16.9		 5hw8B-3o5eA:
39.72
5hw8F-3o5eA:
39.72
5hw8G-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) 		7 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.71A 5hw8B-3o5eA:
17.1
5hw8F-3o5eA:
14.1
5hw8G-3o5eA:
16.9		 5hw8B-3o5eA:
39.72
5hw8F-3o5eA:
39.72
5hw8G-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
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
 None
 1.44A 5hw8B-3o5eA:
17.1
5hw8F-3o5eA:
14.1
5hw8G-3o5eA:
16.9		 5hw8B-3o5eA:
39.72
5hw8F-3o5eA:
39.72
5hw8G-3o5eA:
39.72
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) 		6 TYR A  43
ASP A  55
PHE A  64
ILE A  74
TYR A 100
PHE A 117
 None
 0.73A 5hw8B-3pa7A:
17.2
5hw8F-3pa7A:
14.1
5hw8G-3pa7A:
17.0		 5hw8B-3pa7A:
36.43
5hw8F-3pa7A:
36.43
5hw8G-3pa7A:
36.43
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) 		7 TYR A  43
PHE A  64
VAL A  73
ILE A  74
TRP A  77
TYR A 100
PHE A 117
 None
 0.39A 5hw8B-3pa7A:
17.2
5hw8F-3pa7A:
14.1
5hw8G-3pa7A:
17.0		 5hw8B-3pa7A:
36.43
5hw8F-3pa7A:
36.43
5hw8G-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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		5 ARG A 306
TYR A  58
PHE A  56
ILE A 310
ILE A 407
 None
 1.10A 5hw8B-3ukfA:
undetectable
5hw8F-3ukfA:
undetectable
5hw8G-3ukfA:
undetectable		 5hw8B-3ukfA:
13.56
5hw8F-3ukfA:
13.56
5hw8G-3ukfA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 PHE A 223
VAL A  46
ILE A  47
ILE A 205
ILE A 254
 None
 1.02A 5hw8B-3zu4A:
undetectable
5hw8F-3zu4A:
undetectable
5hw8G-3zu4A:
undetectable		 5hw8B-3zu4A:
14.71
5hw8F-3zu4A:
14.71
5hw8G-3zu4A:
14.71
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) 		5 ASP A 324
VAL A 341
ILE A 342
TYR A 368
PHE A 384
 None
 0.89A 5hw8B-4bf8A:
15.2
5hw8F-4bf8A:
13.0
5hw8G-4bf8A:
14.9		 5hw8B-4bf8A:
37.12
5hw8F-4bf8A:
37.12
5hw8G-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) 		6 TYR A 313
ASP A 324
PHE A 332
VAL A 341
ILE A 342
PHE A 384
 None
 0.88A 5hw8B-4bf8A:
15.2
5hw8F-4bf8A:
13.0
5hw8G-4bf8A:
14.9		 5hw8B-4bf8A:
37.12
5hw8F-4bf8A:
37.12
5hw8G-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) 		6 TYR A 313
PHE A 332
VAL A 341
ILE A 342
TRP A 345
PHE A 384
 None
 0.77A 5hw8B-4bf8A:
15.2
5hw8F-4bf8A:
13.0
5hw8G-4bf8A:
14.9		 5hw8B-4bf8A:
37.12
5hw8F-4bf8A:
37.12
5hw8G-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) 		5 VAL A 341
ILE A 342
TRP A 345
TYR A 368
PHE A 384
 None
 0.71A 5hw8B-4bf8A:
15.2
5hw8F-4bf8A:
13.0
5hw8G-4bf8A:
14.9		 5hw8B-4bf8A:
37.12
5hw8F-4bf8A:
37.12
5hw8G-4bf8A:
37.12
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) 		8 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
PHE A 106
 FK5  A 201 ( 3.9A)
FK5  A 201 (-3.5A)
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)
FK5  A 201 (-4.8A)
 0.42A 5hw8B-4dz3A:
18.1
5hw8F-4dz3A:
15.1
5hw8G-4dz3A:
17.5		 5hw8B-4dz3A:
47.90
5hw8F-4dz3A:
47.90
5hw8G-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.
4ga4 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ASP A 119
VAL A  88
ILE A  91
ILE A 112
ILE A 245
 None
 1.09A 5hw8B-4ga4A:
undetectable
5hw8F-4ga4A:
undetectable
5hw8G-4ga4A:
undetectable		 5hw8B-4ga4A:
15.46
5hw8F-4ga4A:
15.46
5hw8G-4ga4A:
15.46
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ASP A 119
VAL A  88
ILE A  91
ILE A 112
ILE A 245
 None
 1.11A 5hw8B-4ga6A:
undetectable
5hw8F-4ga6A:
undetectable
5hw8G-4ga6A:
undetectable		 5hw8B-4ga6A:
13.04
5hw8F-4ga6A:
13.04
5hw8G-4ga6A:
13.04
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 11
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 22

(Schizosaccharomyces
pombe) 		PF06179
(Med22)
no annotation 		5 ARG V  31
VAL V  67
ILE V  28
ILE V  35
PHE K  61
 None
 1.03A 5hw8B-4h63V:
undetectable
5hw8F-4h63V:
undetectable
5hw8G-4h63V:
undetectable		 5hw8B-4h63V:
21.13
5hw8F-4h63V:
21.13
5hw8G-4h63V:
21.13
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.
4ipe TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		5 VAL A 288
ILE A 300
ILE A 158
PHE A 169
ILE A 213
 None
 1.05A 5hw8B-4ipeA:
undetectable
5hw8F-4ipeA:
undetectable
5hw8G-4ipeA:
undetectable		 5hw8B-4ipeA:
11.76
5hw8F-4ipeA:
11.76
5hw8G-4ipeA:
11.76
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 TYR A  26
ASP A  37
ILE A  56
TYR A  82
PHE A  99
 None
 0.77A 5hw8B-4iqcA:
18.7
5hw8F-4iqcA:
14.9
5hw8G-4iqcA:
17.9		 5hw8B-4iqcA:
46.72
5hw8F-4iqcA:
46.72
5hw8G-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
PHE A  46
VAL A  55
ILE A  56
TYR A  82
PHE A  99
 None
 0.76A 5hw8B-4iqcA:
18.7
5hw8F-4iqcA:
14.9
5hw8G-4iqcA:
17.9		 5hw8B-4iqcA:
46.72
5hw8F-4iqcA:
46.72
5hw8G-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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.61A 5hw8B-4lawA:
17.7
5hw8F-4lawA:
14.9
5hw8G-4lawA:
17.3		 5hw8B-4lawA:
27.18
5hw8F-4lawA:
27.18
5hw8G-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) 		5 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
None
 1.12A 5hw8B-4lawA:
17.7
5hw8F-4lawA:
14.9
5hw8G-4lawA:
17.3		 5hw8B-4lawA:
27.18
5hw8F-4lawA:
27.18
5hw8G-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) 		7 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.44A 5hw8B-4lawA:
17.7
5hw8F-4lawA:
14.9
5hw8G-4lawA:
17.3		 5hw8B-4lawA:
27.18
5hw8F-4lawA:
27.18
5hw8G-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) 		6 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
None
None
 1.43A 5hw8B-4lawA:
17.7
5hw8F-4lawA:
14.9
5hw8G-4lawA:
17.3		 5hw8B-4lawA:
27.18
5hw8F-4lawA:
27.18
5hw8G-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.
4mki ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2

(Caldanaerobacter
subterraneus) 		no annotation 5 ILE B   3
ILE B 166
ILE B  50
PHE B  28
ILE B 207
 None
 1.11A 5hw8B-4mkiB:
undetectable
5hw8F-4mkiB:
undetectable
5hw8G-4mkiB:
undetectable		 5hw8B-4mkiB:
20.76
5hw8F-4mkiB:
20.76
5hw8G-4mkiB:
20.76
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
PHE A 129
 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)
FK5  A 201 (-4.9A)
 0.40A 5hw8B-4nnrA:
15.4
5hw8F-4nnrA:
13.1
5hw8G-4nnrA:
15.0		 5hw8B-4nnrA:
36.00
5hw8F-4nnrA:
36.00
5hw8G-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.
4odm PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Thermus
thermophilus) 		PF00254
(FKBP_C) 		5 TYR A  13
ASP A  23
ILE A  37
TYR A  63
PHE A 128
 None
 0.48A 5hw8B-4odmA:
10.9
5hw8F-4odmA:
9.6
5hw8G-4odmA:
11.1		 5hw8B-4odmA:
19.48
5hw8F-4odmA:
19.48
5hw8G-4odmA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4odr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA

(Homo sapiens;
Thermus
thermophilus) 		PF00254
(FKBP_C) 		6 TYR A  13
ASP A  23
ILE A  37
TYR A  63
ILE A  71
PHE A  80
 FK5  A 201 ( 3.6A)
FK5  A 201 (-3.6A)
FK5  A 201 (-3.9A)
FK5  A 201 (-4.4A)
FK5  A 201 ( 4.1A)
FK5  A 201 ( 4.8A)
 0.52A 5hw8B-4odrA:
12.5
5hw8F-4odrA:
11.4
5hw8G-4odrA:
12.6		 5hw8B-4odrA:
26.21
5hw8F-4odrA:
26.21
5hw8G-4odrA:
26.21
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) 		6 TYR A  57
ASP A  68
PHE A  77
ILE A  87
TYR A 113
PHE A 130
 None
 0.79A 5hw8B-4r0xA:
17.7
5hw8F-4r0xA:
14.4
5hw8G-4r0xA:
17.5		 5hw8B-4r0xA:
40.00
5hw8F-4r0xA:
40.00
5hw8G-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
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.55A 5hw8B-4r0xA:
17.7
5hw8F-4r0xA:
14.4
5hw8G-4r0xA:
17.5		 5hw8B-4r0xA:
40.00
5hw8F-4r0xA:
40.00
5hw8G-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.
4rfa LMO0740 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 VAL A  53
ILE A  90
ILE A  46
PHE A  35
ILE A 125
 None
 1.11A 5hw8B-4rfaA:
undetectable
5hw8F-4rfaA:
undetectable
5hw8G-4rfaA:
undetectable		 5hw8B-4rfaA:
17.62
5hw8F-4rfaA:
17.62
5hw8G-4rfaA:
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		6 PHE A 127
VAL A 305
ILE A 304
ILE A 218
ILE A 457
ILE A 337
 None
 1.21A 5hw8B-4ylrA:
undetectable
5hw8F-4ylrA:
undetectable
5hw8G-4ylrA:
undetectable		 5hw8B-4ylrA:
16.11
5hw8F-4ylrA:
16.11
5hw8G-4ylrA:
16.11
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) 		8 TYR C  36
ASP C  56
PHE C  64
VAL C  73
ILE C  74
TRP C  77
TYR C 100
PHE C 117
 FK5  C 201 (-4.1A)
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)
FK5  C 201 (-4.7A)
 0.44A 5hw8B-5b8iC:
19.1
5hw8F-5b8iC:
15.2
5hw8G-5b8iC:
18.1		 5hw8B-5b8iC:
37.86
5hw8F-5b8iC:
37.86
5hw8G-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.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 VAL A 222
ILE A 241
ILE A 235
PHE A 209
ILE A 251
 None
None
None
None
NAP  A 401 (-3.8A)
 1.04A 5hw8B-5dp2A:
undetectable
5hw8F-5dp2A:
undetectable
5hw8G-5dp2A:
undetectable		 5hw8B-5dp2A:
18.71
5hw8F-5dp2A:
18.71
5hw8G-5dp2A:
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.
5hgc SERPIN

(Taeniopygia
guttata) 		PF00079
(Serpin) 		5 ARG A 246
ILE A 277
ILE A 379
PHE A  40
ILE A 393
 HCY  A 501 (-3.0A)
HCY  A 501 ( 4.2A)
None
None
None
 1.02A 5hw8B-5hgcA:
undetectable
5hw8F-5hgcA:
undetectable
5hw8G-5hgcA:
undetectable		 5hw8B-5hgcA:
17.07
5hw8F-5hgcA:
17.07
5hw8G-5hgcA:
17.07
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
PHE A  46
ILE A  56
TRP A  59
TYR A  82
PHE A 146
 None
 0.53A 5hw8B-5i7pA:
17.1
5hw8F-5i7pA:
13.1
5hw8G-5i7pA:
16.5		 5hw8B-5i7pA:
32.28
5hw8F-5i7pA:
32.28
5hw8G-5i7pA:
32.28
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
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 146
 None
 0.42A 5hw8B-5i7pA:
17.1
5hw8F-5i7pA:
13.1
5hw8G-5i7pA:
16.5		 5hw8B-5i7pA:
32.28
5hw8F-5i7pA:
32.28
5hw8G-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
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 147
 None
 0.60A 5hw8B-5i7qA:
17.4
5hw8F-5i7qA:
13.4
5hw8G-5i7qA:
16.8		 5hw8B-5i7qA:
32.94
5hw8F-5i7qA:
32.94
5hw8G-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) 		10 TYR A  30
ASP A  41
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 102
ILE A 105
PHE A 114
 None
 0.68A 5hw8B-5i98A:
24.7
5hw8F-5i98A:
18.9
5hw8G-5i98A:
23.5		 5hw8B-5i98A:
100.00
5hw8F-5i98A:
100.00
5hw8G-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) 		6 TYR A  30
PHE A  50
VAL A  59
TRP A  63
ILE A 102
PHE A 114
 None
 1.02A 5hw8B-5i98A:
24.7
5hw8F-5i98A:
18.9
5hw8G-5i98A:
23.5		 5hw8B-5i98A:
100.00
5hw8F-5i98A:
100.00
5hw8G-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) 		7 TYR A  27
ASP A  38
PHE A  47
VAL A  56
ILE A  57
TYR A  83
PHE A 100
 None
 0.63A 5hw8B-5j6eA:
20.0
5hw8F-5j6eA:
15.2
5hw8G-5j6eA:
18.4		 5hw8B-5j6eA:
46.72
5hw8F-5j6eA:
46.72
5hw8G-5j6eA:
46.72
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) 		7 TYR A  27
PHE A  47
VAL A  56
ILE A  57
TRP A  60
TYR A  83
PHE A 100
 None
 0.48A 5hw8B-5j6eA:
20.0
5hw8F-5j6eA:
15.2
5hw8G-5j6eA:
18.4		 5hw8B-5j6eA:
46.72
5hw8F-5j6eA:
46.72
5hw8G-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.
5m0y CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 PHE A 146
VAL A  40
ILE A 129
ILE A  45
ILE A 169
 None
 1.02A 5hw8B-5m0yA:
undetectable
5hw8F-5m0yA:
undetectable
5hw8G-5m0yA:
undetectable		 5hw8B-5m0yA:
23.81
5hw8F-5m0yA:
23.81
5hw8G-5m0yA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 5 VAL A 101
ILE A 104
TYR A 114
ILE A 186
PHE A 240
 None
 1.04A 5hw8B-5n81A:
undetectable
5hw8F-5n81A:
undetectable
5hw8G-5n81A:
undetectable		 5hw8B-5n81A:
14.29
5hw8F-5n81A:
14.29
5hw8G-5n81A:
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 ILE A 218
TYR A 253
ILE A 251
ILE A 205
ILE A 162
 None
 0.87A 5hw8B-5n94A:
undetectable
5hw8F-5n94A:
undetectable
5hw8G-5n94A:
undetectable		 5hw8B-5n94A:
18.85
5hw8F-5n94A:
18.85
5hw8G-5n94A:
18.85
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.
5o6u UNCHARACTERIZED
PROTEIN

(Shewanella
putrefaciens) 		no annotation 5 TYR F  81
VAL F 301
ILE F 299
ILE F 334
PHE F  82
 None
 1.10A 5hw8B-5o6uF:
undetectable
5hw8F-5o6uF:
undetectable
5hw8G-5o6uF:
undetectable		 5hw8B-5o6uF:
16.94
5hw8F-5o6uF:
16.94
5hw8G-5o6uF:
16.94
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.
5tth C-TERMINAL
SPYCATCHER FUSION OF
WILDTYPE ZEBRAFISH
TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio;
Streptococcus
pyogenes) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		5 VAL A 288
ILE A 300
ILE A 158
PHE A 169
ILE A 213
 None
 1.06A 5hw8B-5tthA:
undetectable
5hw8F-5tthA:
undetectable
5hw8G-5tthA:
undetectable		 5hw8B-5tthA:
10.45
5hw8F-5tthA:
10.45
5hw8G-5tthA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v38 HCHA

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 TYR A 942
ILE A1003
ILE A1007
ILE A 937
ILE A 976
 None
 1.12A 5hw8B-5v38A:
undetectable
5hw8F-5v38A:
undetectable
5hw8G-5v38A:
undetectable		 5hw8B-5v38A:
14.25
5hw8F-5v38A:
14.25
5hw8G-5v38A:
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 8 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
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 (-4.6A)
 0.39A 5hw8B-5v8tA:
18.0
5hw8F-5v8tA:
14.8
5hw8G-5v8tA:
17.4		 5hw8B-5v8tA:
19.33
5hw8F-5v8tA:
19.33
5hw8G-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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 5 VAL A 113
ILE A 132
ILE A  61
ILE A  74
PHE A  87
 None
 0.85A 5hw8B-5weaA:
undetectable
5hw8F-5weaA:
undetectable
5hw8G-5weaA:
undetectable		 5hw8B-5weaA:
21.14
5hw8F-5weaA:
21.14
5hw8G-5weaA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x00 NUCLEOSIDE
DIPHOSPHATE KINASE

(Vibrio cholerae) 		no annotation 5 PHE A 133
ILE A  34
TYR A  24
ILE A  20
ILE A  10
 None
 1.13A 5hw8B-5x00A:
undetectable
5hw8F-5x00A:
undetectable
5hw8G-5x00A:
undetectable		 5hw8B-5x00A:
20.87
5hw8F-5x00A:
20.87
5hw8G-5x00A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 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
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
 0.76A 5hw8B-5xb0A:
15.1
5hw8F-5xb0A:
12.2
5hw8G-5xb0A:
15.2		 5hw8B-5xb0A:
27.94
5hw8F-5xb0A:
27.94
5hw8G-5xb0A:
27.94
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.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		6 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.03A 5hw8B-5xb0A:
15.1
5hw8F-5xb0A:
12.2
5hw8G-5xb0A:
15.2		 5hw8B-5xb0A:
27.94
5hw8F-5xb0A:
27.94
5hw8G-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 8 TYR A  38
ASP A  49
PHE A  58
VAL A  67
ILE A  68
TYR A  94
ILE A  99
PHE A 111
 None
 0.55A 5hw8B-6b4pA:
17.9
5hw8F-6b4pA:
14.4
5hw8G-6b4pA:
17.2		 5hw8B-6b4pA:
37.68
5hw8F-6b4pA:
37.68
5hw8G-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 5 TYR A  38
PHE A  58
TRP A  71
ILE A  99
PHE A 111
 None
 1.00A 5hw8B-6b4pA:
17.9
5hw8F-6b4pA:
14.4
5hw8G-6b4pA:
17.2		 5hw8B-6b4pA:
37.68
5hw8F-6b4pA:
37.68
5hw8G-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
PHE A  58
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A  99
PHE A 111
 None
 0.60A 5hw8B-6b4pA:
17.9
5hw8F-6b4pA:
14.4
5hw8G-6b4pA:
17.2		 5hw8B-6b4pA:
37.68
5hw8F-6b4pA:
37.68
5hw8G-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.
6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 PHE G 159
ILE G 181
ILE G 423
ILE G 201
ILE G 309
 None
 1.03A 5hw8B-6ck9G:
undetectable
5hw8F-6ck9G:
undetectable
5hw8G-6ck9G:
undetectable		 5hw8B-6ck9G:
16.39
5hw8F-6ck9G:
16.39
5hw8G-6ck9G:
16.39
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.
6d14 TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		no annotation 5 VAL A 288
ILE A 300
ILE A 158
PHE A 169
ILE A 213
 None
 1.03A 5hw8B-6d14A:
undetectable
5hw8F-6d14A:
undetectable
5hw8G-6d14A:
undetectable		 5hw8B-6d14A:
19.51
5hw8F-6d14A:
19.51
5hw8G-6d14A:
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.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 5 TYR A 527
VAL A 141
ILE A  94
ILE A 132
PHE A 159
 None
 1.06A 5hw8B-6ei3A:
undetectable
5hw8F-6ei3A:
undetectable
5hw8G-6ei3A:
undetectable		 5hw8B-6ei3A:
13.69
5hw8F-6ei3A:
13.69
5hw8G-6ei3A:
13.69