SIMILAR PATTERNS OF AMINO ACIDS FOR 5GPG_A_RAPA301

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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		5 ASP A 224
VAL A 267
ILE A 242
ILE A 204
PHE A 247
 None
 1.12A 5gpgA-1bheA:
undetectable		 5gpgA-1bheA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.58A 5gpgA-1fd9A:
17.0		 5gpgA-1fd9A:
23.21
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
 0.48A 5gpgA-1fkkA:
20.3		 5gpgA-1fkkA:
44.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hzf COMPLEMENT FACTOR
C4A

(Homo sapiens) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 LEU A1069
ILE A1288
TYR A1248
ALA A1180
ILE A1176
 None
 1.14A 5gpgA-1hzfA:
undetectable		 5gpgA-1hzfA:
14.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ix5 FKBP

(Methanothermococcus
thermolithotrophicus) 		PF00254
(FKBP_C) 		5 TYR A  15
ASP A  26
LEU A  48
TYR A  84
PHE A 145
 None
 1.01A 5gpgA-1ix5A:
10.6		 5gpgA-1ix5A:
30.97
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
 0.59A 5gpgA-1jvwA:
15.8		 5gpgA-1jvwA:
30.86
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
 0.37A 5gpgA-1jvwA:
15.8		 5gpgA-1jvwA:
30.86
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.83A 5gpgA-1kt1A:
16.6		 5gpgA-1kt1A:
27.23
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
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.59A 5gpgA-1n1aA:
18.6		 5gpgA-1n1aA:
47.11
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.
1o20 GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Thermotoga
maritima) 		PF00171
(Aldedh) 		5 LEU A 397
VAL A  85
ILE A  30
ALA A  21
ILE A 170
 None
 1.17A 5gpgA-1o20A:
undetectable		 5gpgA-1o20A:
15.05
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.
1ofu CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ASP A  85
VAL A  58
ILE A  41
ALA A 113
ILE A 117
 None
 1.16A 5gpgA-1ofuA:
undetectable		 5gpgA-1ofuA:
15.62
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) 		10 TYR A 135
ASP A 146
LEU A 162
LYS A 170
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-2.9A)
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)
None
 0.54A 5gpgA-1pbkA:
21.9		 5gpgA-1pbkA:
100.00
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) 		10 TYR A 135
ASP A 146
LEU A 162
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ALA A 206
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 3.9A)
RAP  A 225 ( 4.9A)
None
 0.56A 5gpgA-1pbkA:
21.9		 5gpgA-1pbkA:
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		8 TYR A 146
ASP A 157
LEU A 166
VAL A 173
ILE A 174
TYR A 200
ILE A 208
PHE A 216
 None
 0.71A 5gpgA-1q6hA:
16.4		 5gpgA-1q6hA:
29.29
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		8 TYR A 146
ASP A 157
VAL A 173
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 0.50A 5gpgA-1q6hA:
16.4		 5gpgA-1q6hA:
29.29
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) 		8 TYR A  40
ASP A  51
VAL A  69
ILE A  70
TRP A  73
TYR A  96
ILE A 105
PHE A 113
 None
 0.56A 5gpgA-1r9hA:
19.8		 5gpgA-1r9hA:
39.26
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
VAL A  66
ILE A  67
TRP A  70
TYR A  99
ILE A 113
PHE A 121
 None
 0.46A 5gpgA-1u79A:
18.2		 5gpgA-1u79A:
35.88
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
LEU A  57
TRP A  70
ALA A 104
ILE A 113
PHE A 121
 None
 1.40A 5gpgA-1u79A:
18.2		 5gpgA-1u79A:
35.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vho ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 LEU A  12
VAL A  32
ILE A  33
ALA A 322
PHE A 198
 LEU  A  12 ( 0.6A)
VAL  A  32 ( 0.5A)
ILE  A  33 ( 0.6A)
ALA  A 322 ( 0.0A)
PHE  A 198 ( 1.3A)
 1.11A 5gpgA-1vhoA:
undetectable		 5gpgA-1vhoA:
18.69
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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		5 LEU A 658
VAL A 126
TRP A  97
TYR A  94
ILE A 177
 None
 1.18A 5gpgA-1w7cA:
undetectable		 5gpgA-1w7cA:
10.23
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
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)
FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 3.6A)
FK5  A 108 ( 4.7A)
None
None
 0.23A 5gpgA-1yatA:
20.4		 5gpgA-1yatA:
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.
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
 0.55A 5gpgA-2awgA:
17.5		 5gpgA-2awgA:
29.46
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.
2e5a LIPOYLTRANSFERASE 1

(Bos taurus) 		no annotation 5 LEU A 339
LYS A 271
VAL A 272
ILE A 274
ILE A 306
 None
 0.94A 5gpgA-2e5aA:
undetectable		 5gpgA-2e5aA:
15.14
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.
2i79 ACETYLTRANSFERASE,
GNAT FAMILY

(Streptococcus
pneumoniae) 		PF00583
(Acetyltransf_1) 		5 TYR A 139
LEU A 138
ILE A 112
ILE A  76
PHE A 144
 ACO  A 402 (-4.7A)
ACO  A 402 ( 4.5A)
None
None
None
 1.08A 5gpgA-2i79A:
undetectable		 5gpgA-2i79A:
18.86
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.
2iic ALPHA-11 GIARDIN

(Giardia
intestinalis) 		no annotation 5 LEU A 258
VAL A  79
ILE A  80
ALA A 141
ILE A 142
 None
 1.15A 5gpgA-2iicA:
undetectable		 5gpgA-2iicA:
17.88
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
VAL A  56
ILE A  57
TRP A  60
ILE A  92
 None
 1.02A 5gpgA-2lpvA:
17.2		 5gpgA-2lpvA:
45.30
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) 		5 TYR A 135
LEU A 162
VAL A 171
ILE A 172
TRP A 175
 None
 1.01A 5gpgA-2mphA:
18.1		 5gpgA-2mphA:
79.05
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
VAL A  85
ILE A  86
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 PEG  A 201 (-4.4A)
None
PEG  A 201 (-3.6A)
PEG  A 201 (-3.8A)
PEG  A 201 (-3.7A)
None
None
None
 0.59A 5gpgA-2pbcA:
15.7		 5gpgA-2pbcA:
45.30
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.
2qec HISTONE
ACETYLTRANSFERASE
HPA2 AND RELATED
ACETYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00583
(Acetyltransf_1) 		5 TYR A 171
LEU A 170
ILE A 150
ALA A  76
PHE A 176
 None
None
EDO  A 208 (-4.3A)
None
None
 1.17A 5gpgA-2qecA:
undetectable		 5gpgA-2qecA:
22.16
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 ASP A  80
LEU A  47
VAL A 117
ILE A  98
ILE A 204
 None
 1.17A 5gpgA-2qpmA:
undetectable		 5gpgA-2qpmA:
12.02
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.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 LEU A  39
VAL A 103
ILE A  69
ALA A 270
PHE A  87
 None
 1.12A 5gpgA-2qvpA:
undetectable		 5gpgA-2qvpA:
18.97
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)
 0.84A 5gpgA-2vcdA:
14.0		 5gpgA-2vcdA:
33.11
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)
 0.64A 5gpgA-2vcdA:
14.0		 5gpgA-2vcdA:
33.11
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
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)
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)
 0.32A 5gpgA-2vn1A:
19.0		 5gpgA-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) 		8 TYR A  33
ASP A  44
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.67A 5gpgA-2y78A:
18.3		 5gpgA-2y78A:
37.41
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.
3b1f PUTATIVE PREPHENATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF02153
(PDH) 		5 LEU A 162
VAL A  66
ILE A  67
ALA A 108
ILE A  80
 None
 0.95A 5gpgA-3b1fA:
undetectable		 5gpgA-3b1fA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b5o CADD-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Nostoc
punctiforme) 		PF12981
(DUF3865) 		5 LEU A 179
LYS A 157
VAL A 156
TYR A  47
PHE A 174
 None
 1.16A 5gpgA-3b5oA:
undetectable		 5gpgA-3b5oA:
18.60
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
 0.90A 5gpgA-3b7xA:
15.7		 5gpgA-3b7xA:
31.11
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 LEU A 323
VAL A 285
ILE A 254
ALA A 276
ILE A 245
 None
 0.78A 5gpgA-3gxoA:
undetectable		 5gpgA-3gxoA:
16.25
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.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		5 LEU A 171
VAL A 146
ILE A 148
ALA A  49
ILE A 123
 None
 1.13A 5gpgA-3hyvA:
undetectable		 5gpgA-3hyvA:
15.68
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		5 ASP A 679
ILE A 701
TYR A 745
ALA A 677
ILE A 674
 None
 1.20A 5gpgA-3j9dA:
undetectable		 5gpgA-3j9dA:
10.57
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.
3jtm FORMATE
DEHYDROGENASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 161
VAL A 250
ILE A 251
ALA A 296
ILE A 270
 AZI  A 385 (-4.3A)
None
None
None
None
 1.17A 5gpgA-3jtmA:
undetectable		 5gpgA-3jtmA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 349
VAL A  15
ILE A  13
ALA A 108
PHE A 386
 None
 1.02A 5gpgA-3mqtA:
undetectable		 5gpgA-3mqtA:
13.58
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.
3o59 DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
horikoshii) 		PF03833
(PolC_DP2) 		5 LEU X 263
ILE X 221
TYR X 146
ALA X 120
ILE X 150
 None
 0.90A 5gpgA-3o59X:
undetectable		 5gpgA-3o59X:
17.51
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.
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
 0.79A 5gpgA-3o5dA:
19.1		 5gpgA-3o5dA:
21.48
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
 0.66A 5gpgA-3o5eA:
19.1		 5gpgA-3o5eA:
38.81
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
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.75A 5gpgA-3o5eA:
19.1		 5gpgA-3o5eA:
38.81
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
ASP A  55
VAL A  73
ILE A  74
TRP A  77
ILE A 109
PHE A 117
 None
 0.63A 5gpgA-3pa7A:
18.9		 5gpgA-3pa7A:
33.08
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
VAL A  73
ILE A  74
TRP A  77
TYR A 100
ILE A 109
PHE A 117
 None
 0.37A 5gpgA-3pa7A:
18.9		 5gpgA-3pa7A:
33.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		5 TYR A 131
VAL A 246
ILE A 247
ALA A  52
ILE A  55
 None
 1.16A 5gpgA-3ppoA:
undetectable		 5gpgA-3ppoA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7i REGULATOR OF TY1
TRANSPOSITION
PROTEIN 107

(Saccharomyces
cerevisiae) 		PF16770
(RTT107_BRCT_5)
PF16771
(RTT107_BRCT_6) 		5 TYR A 835
LEU A 927
LYS A 902
ILE A 906
ILE A 913
 None
 1.19A 5gpgA-3t7iA:
undetectable		 5gpgA-3t7iA:
17.56
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.
3u2h S-LAYER PROTEIN
MA0829

(Methanosarcina
acetivorans) 		PF07752
(S-layer) 		5 TYR A 416
ASP A 499
VAL A 460
ALA A 392
ILE A 381
 None
 1.07A 5gpgA-3u2hA:
undetectable		 5gpgA-3u2hA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.20A 5gpgA-3um6A:
undetectable		 5gpgA-3um6A:
11.99
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.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE

(Coxiella
burnetii) 		PF01041
(DegT_DnrJ_EryC1) 		5 TYR A 285
ASP A 259
LEU A 287
VAL A 361
ILE A 358
 None
 1.13A 5gpgA-3uwcA:
undetectable		 5gpgA-3uwcA:
16.30
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.
3uyu ANTIFREEZE PROTEIN

(Leucosporidium
sp. AY30) 		PF11999
(DUF3494) 		5 ASP A  53
LEU A 100
LYS A  39
ILE A  42
ILE A  50
 None
 1.16A 5gpgA-3uyuA:
undetectable		 5gpgA-3uyuA:
15.98
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) 		8 TYR A 313
ASP A 324
VAL A 341
ILE A 342
TRP A 345
TYR A 368
ILE A 376
PHE A 384
 None
 0.83A 5gpgA-4bf8A:
16.4		 5gpgA-4bf8A:
39.53
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 5gpgA-4dipA:
17.1		 5gpgA-4dipA:
34.88
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
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)
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)
 0.21A 5gpgA-4dz3A:
19.1		 5gpgA-4dz3A:
42.15
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 LEU A 139
VAL A 162
ILE A 192
ALA A 229
PHE A 182
 None
 1.10A 5gpgA-4hjwA:
undetectable		 5gpgA-4hjwA:
15.22
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
 0.71A 5gpgA-4iqcA:
20.2		 5gpgA-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
 0.74A 5gpgA-4iqcA:
20.2		 5gpgA-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) 		7 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TRP A  90
ILE A 122
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)
 0.66A 5gpgA-4lawA:
20.0		 5gpgA-4lawA:
33.52
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) 		7 TYR A  57
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.49A 5gpgA-4lawA:
20.0		 5gpgA-4lawA:
33.52
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.
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
 0.57A 5gpgA-4mspA:
17.8		 5gpgA-4mspA:
28.02
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.
4mvu ION TRANSPORT
PROTEIN

(Arcobacter
butzleri) 		PF00520
(Ion_trans) 		5 TYR A1020
LEU A1024
VAL A1052
ILE A1055
PHE A1017
 None
 1.11A 5gpgA-4mvuA:
undetectable		 5gpgA-4mvuA:
20.42
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
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)
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)
 0.20A 5gpgA-4nnrA:
16.3		 5gpgA-4nnrA:
44.19
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.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		5 TYR A 304
LEU A 249
VAL A 187
ILE A 189
ALA A 284
 None
 1.19A 5gpgA-4nphA:
undetectable		 5gpgA-4nphA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 ASP A  92
LEU A 132
LYS A  78
ILE A  81
ILE A  89
 None
 1.18A 5gpgA-4nu2A:
undetectable		 5gpgA-4nu2A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nu3 ICE-BINDING PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 ASP A  65
LEU A 112
LYS A  51
ILE A  54
ILE A  62
 None
 1.18A 5gpgA-4nu3A:
undetectable		 5gpgA-4nu3A:
18.82
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.
4nuh ICE-BINDING PROTEIN

(Leucosporidium) 		PF11999
(DUF3494) 		5 ASP A  34
LEU A  74
LYS A  20
ILE A  23
ILE A  31
 None
 1.13A 5gpgA-4nuhA:
undetectable		 5gpgA-4nuhA:
19.72
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.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		5 LEU A  35
ILE A 387
TYR A 383
ALA A 319
ILE A 320
 None
None
None
FAD  A 601 ( 4.0A)
None
 0.95A 5gpgA-4nwzA:
undetectable		 5gpgA-4nwzA:
14.69
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.
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
 0.70A 5gpgA-4odmA:
11.9		 5gpgA-4odmA:
26.75
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.
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)
 0.52A 5gpgA-4odrA:
13.7		 5gpgA-4odrA:
27.66
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
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
 0.75A 5gpgA-4r0xA:
19.7		 5gpgA-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) 		7 TYR A  57
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.64A 5gpgA-4r0xA:
19.7		 5gpgA-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.
4rlq BENZOATE-COENZYME A
LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 210
VAL A 323
ILE A 322
TYR A 279
ALA A 221
 None
GOL  A1001 (-4.9A)
None
None
None
 0.98A 5gpgA-4rlqA:
undetectable		 5gpgA-4rlqA:
12.22
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.
4ylj DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 1A

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 405
LYS A 372
VAL A 374
ALA A 388
ILE A 384
 None
 1.17A 5gpgA-4yljA:
undetectable		 5gpgA-4yljA:
15.93
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 TYR A2428
ASP A2579
VAL A2441
ALA A2324
ILE A2325
 None
 1.10A 5gpgA-4z37A:
undetectable		 5gpgA-4z37A:
12.00
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.
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
 1.11A 5gpgA-4zwjA:
undetectable		 5gpgA-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) 		8 TYR C  36
ASP C  56
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)
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)
 0.32A 5gpgA-5b8iC:
19.9		 5gpgA-5b8iC:
42.11
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 5gpgA-5i7pA:
18.5		 5gpgA-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
 0.52A 5gpgA-5i7qA:
18.7		 5gpgA-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) 		7 TYR A  30
ASP A  41
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 102
 None
 1.33A 5gpgA-5i98A:
19.4		 5gpgA-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
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 106
PHE A 114
 None
 0.48A 5gpgA-5i98A:
19.4		 5gpgA-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
 0.93A 5gpgA-5ijlA:
undetectable		 5gpgA-5ijlA:
7.57
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) 		8 TYR A  27
ASP A  38
VAL A  56
ILE A  57
TRP A  60
TYR A  83
ILE A  92
PHE A 100
 None
 0.56A 5gpgA-5j6eA:
20.5		 5gpgA-5j6eA:
44.44
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.
5jcv LMO2181 PROTEIN

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 ASP A 125
VAL A  75
ILE A  89
TYR A 161
ILE A 221
 None
 0.98A 5gpgA-5jcvA:
undetectable		 5gpgA-5jcvA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Bacillus cereus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 TYR A  75
ASP A  93
LEU A  81
VAL A  89
ALA A 119
 None
 1.16A 5gpgA-5je8A:
undetectable		 5gpgA-5je8A:
20.47
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 LEU B1088
ILE B1307
TYR B1267
ALA B1199
ILE B1195
 None
 1.09A 5gpgA-5jpnB:
undetectable		 5gpgA-5jpnB:
9.74
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		5 TYR A 609
LEU A 608
ILE A 670
TYR A 576
ALA A 508
 None
 1.15A 5gpgA-5k04A:
undetectable		 5gpgA-5k04A:
10.12
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.
5msz THERMOBIA DOMESTICA
DOMESTICA AA15

(Thermobia
domestica) 		no annotation 5 ASP A  84
VAL A  72
ILE A 190
TYR A  75
ILE A  81
 None
 1.16A 5gpgA-5mszA:
undetectable		 5gpgA-5mszA:
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ASP A 246
LEU A 269
VAL A 105
ILE A 108
TYR A 118
 None
 1.05A 5gpgA-5u2aA:
undetectable		 5gpgA-5u2aA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 8 TYR A  33
ASP A  44
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)
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)
 0.25A 5gpgA-5v8tA:
18.9		 5gpgA-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
 1.12A 5gpgA-5wabA:
undetectable		 5gpgA-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
 0.64A 5gpgA-5xb0A:
15.9		 5gpgA-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.
5z0y SERINE
HYDROXYMETHYLTRANSFE
RASE

(Komagataella
phaffii) 		no annotation 5 TYR A 339
ASP A 418
LEU A 355
ILE A 395
PHE A 334
 None
 1.11A 5gpgA-5z0yA:
undetectable		 5gpgA-5z0yA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0y SERINE
HYDROXYMETHYLTRANSFE
RASE

(Komagataella
phaffii) 		no annotation 5 TYR A 339
LEU A 355
LYS A 378
ILE A 395
PHE A 334
 None
 1.09A 5gpgA-5z0yA:
undetectable		 5gpgA-5z0yA:
19.13
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
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A 103
PHE A 111
 None
 0.62A 5gpgA-6b4pA:
19.4		 5gpgA-6b4pA:
37.30
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.
6cdd NPL4 ZINC FINGER

(Chaetomium
thermophilum) 		no annotation 5 ASP A 314
LEU A 321
VAL A 344
ILE A 345
ALA A 274
 None
 1.16A 5gpgA-6cddA:
undetectable		 5gpgA-6cddA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 5 LEU U 196
ILE U  66
ALA U 103
ILE U  19
PHE U 163
 None
 1.18A 5gpgA-6ezmU:
undetectable		 5gpgA-6ezmU:
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 LEU A 293
ARG A 101
THR A 250
ASP A 254
PHE A 289
 None
 1.49A 5gpgB-2yh2A:
0.5		 5gpgB-2yh2A:
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.
3b7y E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00168
(C2) 		5 LEU A 244
ARG A 124
THR A 163
TRP A 172
PHE A 189
 None
 1.44A 5gpgB-3b7yA:
undetectable		 5gpgB-3b7yA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		5 LEU A  80
ARG A  87
THR A 119
TYR A  75
PHE A  79
 None
 1.36A 5gpgB-3e53A:
0.2		 5gpgB-3e53A:
12.47
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.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		5 LEU A 157
SER A 141
THR A 101
ASP A  99
PHE A 150
 None
 1.47A 5gpgB-3l6dA:
0.0		 5gpgB-3l6dA:
14.63
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 PHE B2864
THR B2794
ASP B2846
TYR B2845
PHE B2826
 None
 1.23A 5gpgB-4bedB:
0.3		 5gpgB-4bedB:
4.32
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.
4bmr RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus cereus) 		PF00268
(Ribonuc_red_sm) 		5 ARG A  53
THR A  39
TRP A  40
ASP A  36
PHE A 104
 None
 1.46A 5gpgB-4bmrA:
1.3		 5gpgB-4bmrA:
15.02
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 311
ARG A 372
PHE A 370
THR A 296
ASP A 300
 None
 1.40A 5gpgB-4gaxA:
2.2		 5gpgB-4gaxA:
11.52
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.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 SER A 340
ARG A 342
THR A 226
ASP A 225
PHE A 310
 None
 1.49A 5gpgB-4hwiA:
undetectable		 5gpgB-4hwiA:
13.26
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.
4o26 TELOMERASE REVERSE
TRANSCRIPTASE

(Oryzias latipes) 		PF12009
(Telomerase_RBD) 		5 LEU A 523
ARG A 433
PHE A 454
THR A 513
ASP A 517
 None
SO4  A 607 (-3.8A)
None
None
None
 1.28A 5gpgB-4o26A:
0.0		 5gpgB-4o26A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU A 403
THR A 378
ASP A 219
TYR A 400
PHE A 402
 None
 1.29A 5gpgB-4px9A:
0.0		 5gpgB-4px9A:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 403
THR A 378
ASP A 219
TYR A 400
PHE A 402
 None
 1.28A 5gpgB-5e7jA:
0.0		 5gpgB-5e7jA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 LEU A2031
SER A2035
THR A2098
TRP A2101
PHE A2108
 None
 0.94A 5gpgB-5h64A:
14.2		 5gpgB-5h64A:
4.43
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		5 LEU A 878
SER A 882
ARG A 884
PHE A 886
THR A 900
 None
 1.33A 5gpgB-5hb1A:
1.5		 5gpgB-5hb1A:
8.27
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN
PUTATIVE PRE-MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
PF08084
(PROCT) 		5 LEU B2275
SER A1337
PHE A1338
ASP A1276
PHE B2245
 None
 1.34A 5gpgB-5m59B:
undetectable		 5gpgB-5m59B:
16.27