SIMILAR PATTERNS OF AMINO ACIDS FOR 6MKE_B_FK5B201_0

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 PHE A 153
ILE A 159
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 1.11A 6mkeB-1fd9A:
17.8
6mkeC-1fd9A:
17.6		 6mkeB-1fd9A:
27.34
6mkeC-1fd9A:
27.34
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.
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
 0.53A 6mkeB-1fd9A:
17.8
6mkeC-1fd9A:
17.6		 6mkeB-1fd9A:
27.34
6mkeC-1fd9A:
27.34
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) 		10 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 None
 0.59A 6mkeB-1fkkA:
19.8
6mkeC-1fkkA:
19.9		 6mkeB-1fkkA:
34.34
6mkeC-1fkkA:
34.34
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) 		6 TYR A  26
PHE A  46
VAL A  55
TRP A  59
TYR A  82
ILE A  90
 None
 1.39A 6mkeB-1fkkA:
19.8
6mkeC-1fkkA:
19.9		 6mkeB-1fkkA:
34.34
6mkeC-1fkkA:
34.34
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		5 ASP A 330
ARG A 422
ILE A  23
PHE A  66
ILE A 434
 None
 1.29A 6mkeB-1iduA:
undetectable
6mkeC-1iduA:
undetectable		 6mkeB-1iduA:
8.47
6mkeC-1iduA:
8.47
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.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		6 PHE A 114
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 1.02A 6mkeB-1jvwA:
16.2
6mkeC-1jvwA:
16.2		 6mkeB-1jvwA:
21.56
6mkeC-1jvwA:
21.56
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.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		8 TYR A  92
ARG A 108
VAL A 119
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.52A 6mkeB-1jvwA:
16.2
6mkeC-1jvwA:
16.2		 6mkeB-1jvwA:
21.56
6mkeC-1jvwA:
21.56
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.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		8 TYR A  92
ASP A 103
ARG A 108
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.67A 6mkeB-1jvwA:
16.2
6mkeC-1jvwA:
16.2		 6mkeB-1jvwA:
21.56
6mkeC-1jvwA:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		7 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
 1.49A 6mkeB-1kt1A:
17.3
6mkeC-1kt1A:
17.1		 6mkeB-1kt1A:
42.86
6mkeC-1kt1A:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		7 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.79A 6mkeB-1kt1A:
17.3
6mkeC-1kt1A:
17.1		 6mkeB-1kt1A:
42.86
6mkeC-1kt1A:
42.86
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ASP A 101
ARG A   8
PHE A 106
VAL A 188
ILE A 140
 None
 1.28A 6mkeB-1lnlA:
undetectable
6mkeC-1lnlA:
undetectable		 6mkeB-1lnlA:
10.86
6mkeC-1lnlA:
10.86
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		5 ARG A 281
VAL A 362
ILE A  37
PHE A  11
ILE A 294
 None
 1.30A 6mkeB-1lwhA:
undetectable
6mkeC-1lwhA:
undetectable		 6mkeB-1lwhA:
10.98
6mkeC-1lwhA:
10.98
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 PHE A 308
ILE A  77
ILE A  80
TYR A 281
ILE A 277
 None
 1.30A 6mkeB-1mewA:
undetectable
6mkeC-1mewA:
undetectable		 6mkeB-1mewA:
10.02
6mkeC-1mewA:
10.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n1a FKBP52

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.52A 6mkeB-1n1aA:
20.8
6mkeC-1n1aA:
20.7		 6mkeB-1n1aA:
43.96
6mkeC-1n1aA:
43.96
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.
1o20 GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Thermotoga
maritima) 		PF00171
(Aldedh) 		5 VAL A 243
ILE A 244
ILE A 318
PHE A 271
ILE A 357
 None
 1.17A 6mkeB-1o20A:
undetectable
6mkeC-1o20A:
undetectable		 6mkeB-1o20A:
11.24
6mkeC-1o20A:
11.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE
LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus;
Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 ARG A 126
PHE A 123
TYR C 461
TYR A  89
ILE A  88
 None
 1.20A 6mkeB-1o7dA:
undetectable
6mkeC-1o7dA:
undetectable		 6mkeB-1o7dA:
13.45
6mkeC-1o7dA:
13.45
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) 		8 TYR A 135
ASP A 146
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 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.40A 6mkeB-1pbkA:
18.1
6mkeC-1pbkA:
18.3		 6mkeB-1pbkA:
36.99
6mkeC-1pbkA:
36.99
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 PHE A 168
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 1.35A 6mkeB-1q6hA:
17.1
6mkeC-1q6hA:
16.9		 6mkeB-1q6hA:
17.81
6mkeC-1q6hA:
17.81
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		9 TYR A 146
ASP A 157
ARG A 162
VAL A 173
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 0.53A 6mkeB-1q6hA:
17.1
6mkeC-1q6hA:
16.9		 6mkeB-1q6hA:
17.81
6mkeC-1q6hA:
17.81
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) 		10 TYR A  40
ASP A  51
ARG A  56
PHE A  60
VAL A  69
ILE A  70
TRP A  73
TYR A  96
ILE A 105
PHE A 113
 None
 0.55A 6mkeB-1r9hA:
21.9
6mkeC-1r9hA:
21.9		 6mkeB-1r9hA:
43.90
6mkeC-1r9hA:
43.90
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.
1rc7 RIBONUCLEASE III

(Aquifex
aeolicus) 		PF00035
(dsrm)
PF14622
(Ribonucleas_3_3) 		5 ASP A 138
PHE A 109
VAL A  47
ILE A  51
PHE A  79
 None
 1.30A 6mkeB-1rc7A:
undetectable
6mkeC-1rc7A:
undetectable		 6mkeB-1rc7A:
16.06
6mkeC-1rc7A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 PHE A 349
VAL A 466
ILE A 465
TYR A 454
ILE A 458
 None
 1.10A 6mkeB-1ry2A:
undetectable
6mkeC-1ry2A:
undetectable		 6mkeB-1ry2A:
9.10
6mkeC-1ry2A:
9.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		5 ASP A 232
ARG A 332
TYR A 423
TYR A 157
ILE A 164
 None
 1.20A 6mkeB-1sqgA:
undetectable
6mkeC-1sqgA:
undetectable		 6mkeB-1sqgA:
10.66
6mkeC-1sqgA:
10.66
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) 		5 ASP A  48
ARG A  53
TYR A  99
ILE A 113
PHE A 121
 None
 1.17A 6mkeB-1u79A:
19.4
6mkeC-1u79A:
19.2		 6mkeB-1u79A:
36.25
6mkeC-1u79A:
36.25
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) 		8 TYR A  37
ASP A  48
VAL A  66
ILE A  67
TRP A  70
TYR A  99
ILE A 113
PHE A 121
 None
 0.42A 6mkeB-1u79A:
19.4
6mkeC-1u79A:
19.2		 6mkeB-1u79A:
36.25
6mkeC-1u79A:
36.25
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) 		10 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
FK5  A 108 (-3.7A)
FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 3.6A)
FK5  A 108 ( 4.7A)
None
None
 0.42A 6mkeB-1yatA:
21.4
6mkeC-1yatA:
21.3		 6mkeB-1yatA:
48.48
6mkeC-1yatA:
48.48
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.
2aam HYPOTHETICAL PROTEIN
TM1410

(Thermotoga
maritima) 		PF03537
(Glyco_hydro_114) 		5 ARG A 191
VAL A  85
ILE A  56
PHE A 256
ILE A 146
 None
 1.17A 6mkeB-2aamA:
undetectable
6mkeC-2aamA:
undetectable		 6mkeB-2aamA:
15.23
6mkeC-2aamA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2btv PROTEIN (VP3 CORE
PROTEIN)

(Bluetongue
virus) 		PF01700
(Orbi_VP3) 		5 TYR A 217
VAL A  83
ILE A  82
ILE A 264
ILE A 192
 None
 1.01A 6mkeB-2btvA:
undetectable
6mkeC-2btvA:
undetectable		 6mkeB-2btvA:
5.76
6mkeC-2btvA:
5.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 TYR A  81
ARG A 436
TRP A  67
PHE A  84
ILE A 468
 None
 1.15A 6mkeB-2gq3A:
undetectable
6mkeC-2gq3A:
undetectable		 6mkeB-2gq3A:
8.79
6mkeC-2gq3A:
8.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hjg GTP-BINDING PROTEIN
ENGA

(Bacillus
subtilis) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 TYR A 384
ASP A 132
VAL A 388
ILE A 130
PHE A 398
 None
 1.28A 6mkeB-2hjgA:
undetectable
6mkeC-2hjgA:
undetectable		 6mkeB-2hjgA:
14.33
6mkeC-2hjgA:
14.33
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
ILE A  57
TRP A  60
ILE A  92
 None
 0.90A 6mkeB-2lpvA:
17.0
6mkeC-2lpvA:
17.3		 6mkeB-2lpvA:
43.75
6mkeC-2lpvA:
43.75
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
 0.88A 6mkeB-2lpvA:
17.0
6mkeC-2lpvA:
17.3		 6mkeB-2lpvA:
43.75
6mkeC-2lpvA:
43.75
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.
2p5s RAS AND EF-HAND
DOMAIN CONTAINING

(Homo sapiens) 		PF00071
(Ras) 		5 PHE A 611
VAL A 545
ILE A 544
TYR A 621
ILE A 632
 None
 1.16A 6mkeB-2p5sA:
undetectable
6mkeC-2p5sA:
undetectable		 6mkeB-2p5sA:
20.30
6mkeC-2p5sA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pbc FK506-BINDING
PROTEIN 2

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  56
ASP A  67
PHE A  76
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 ( 3.9A)
PEG  A 201 (-3.6A)
PEG  A 201 (-3.8A)
PEG  A 201 (-3.7A)
None
None
None
 0.75A 6mkeB-2pbcA:
15.2
6mkeC-2pbcA:
15.2		 6mkeB-2pbcA:
56.36
6mkeC-2pbcA:
56.36
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.
2rmn TUMOR PROTEIN 63

(Homo sapiens) 		PF00870
(P53) 		5 PHE A 138
ILE A 172
TYR A 265
ILE A 226
PHE A 301
 None
 1.30A 6mkeB-2rmnA:
undetectable
6mkeC-2rmnA:
undetectable		 6mkeB-2rmnA:
17.65
6mkeC-2rmnA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 ASP A  66
VAL A  82
ILE A  83
TRP A  86
PHE A 126
 RAP  A 138 (-2.7A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
RAP  A 138 ( 4.7A)
 0.80A 6mkeB-2vcdA:
14.5
6mkeC-2vcdA:
14.5		 6mkeB-2vcdA:
27.78
6mkeC-2vcdA:
27.78
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.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 TYR A  55
ASP A  66
VAL A  82
ILE A  83
TRP A  86
 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)
 0.75A 6mkeB-2vcdA:
14.5
6mkeC-2vcdA:
14.5		 6mkeB-2vcdA:
27.78
6mkeC-2vcdA:
27.78
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.
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)
 0.66A 6mkeB-2vcdA:
14.5
6mkeC-2vcdA:
14.5		 6mkeB-2vcdA:
27.78
6mkeC-2vcdA:
27.78
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) 		10 TYR A  44
ASP A  56
ARG A  61
PHE A  65
VAL A  74
ILE A  75
TRP A  78
TYR A 101
ILE A 110
PHE A 118
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
FK5  A 501 (-3.9A)
FK5  A 501 (-4.1A)
FK5  A 501 (-3.5A)
FK5  A 501 (-4.3A)
FK5  A 501 (-3.3A)
FK5  A 501 (-4.7A)
None
FK5  A 501 (-4.8A)
 0.48A 6mkeB-2vn1A:
21.8
6mkeC-2vn1A:
21.5		 6mkeB-2vn1A:
40.96
6mkeC-2vn1A:
40.96
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) 		10 TYR A  33
ASP A  44
ARG A  49
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.57A 6mkeB-2y78A:
19.3
6mkeC-2y78A:
19.4		 6mkeB-2y78A:
50.00
6mkeC-2y78A:
50.00
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.
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
 0.95A 6mkeB-3b7xA:
16.8
6mkeC-3b7xA:
16.7		 6mkeB-3b7xA:
21.48
6mkeC-3b7xA:
21.48
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.
3doa FIBRINOGEN BINDING
PROTEIN

(Staphylococcus
aureus) 		PF05833
(FbpA) 		5 TYR A 172
ILE A 205
TYR A 252
ILE A 254
ILE A  99
 None
 1.26A 6mkeB-3doaA:
undetectable
6mkeC-3doaA:
undetectable		 6mkeB-3doaA:
11.90
6mkeC-3doaA:
11.90
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 ASP A 217
PHE A 419
ILE A 455
ILE A 437
ILE A 177
 None
 1.28A 6mkeB-3e1kA:
undetectable
6mkeC-3e1kA:
undetectable		 6mkeB-3e1kA:
10.59
6mkeC-3e1kA:
10.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		6 ASP A 679
ARG A 685
VAL A 712
ILE A 701
TYR A 745
ILE A 674
 None
 1.41A 6mkeB-3j9dA:
undetectable
6mkeC-3j9dA:
undetectable		 6mkeB-3j9dA:
6.09
6mkeC-3j9dA:
6.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 PHE A 514
VAL A  21
ILE A  16
TYR A 440
ILE A 478
 None
 0.97A 6mkeB-3nzpA:
undetectable
6mkeC-3nzpA:
undetectable		 6mkeB-3nzpA:
7.14
6mkeC-3nzpA:
7.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.75A 6mkeB-3o5dA:
20.9
6mkeC-3o5dA:
20.7		 6mkeB-3o5dA:
44.44
6mkeC-3o5dA:
44.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
 0.78A 6mkeB-3o5eA:
21.0
6mkeC-3o5eA:
20.7		 6mkeB-3o5eA:
44.44
6mkeC-3o5eA:
44.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.80A 6mkeB-3o5eA:
21.0
6mkeC-3o5eA:
20.7		 6mkeB-3o5eA:
44.44
6mkeC-3o5eA:
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 PHE A 679
VAL A 599
ILE A 598
ILE A 882
ILE A 939
 None
 1.25A 6mkeB-3o8oA:
undetectable
6mkeC-3o8oA:
undetectable		 6mkeB-3o8oA:
7.46
6mkeC-3o8oA:
7.46
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) 		10 TYR A  43
ASP A  55
ARG A  60
PHE A  64
VAL A  73
ILE A  74
TRP A  77
TYR A 100
ILE A 109
PHE A 117
 None
 0.55A 6mkeB-3pa7A:
21.6
6mkeC-3pa7A:
21.6		 6mkeB-3pa7A:
40.96
6mkeC-3pa7A:
40.96
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.
3tgh GLIDEOSOME-ASSOCIATE
D PROTEIN 50

(Plasmodium
falciparum) 		PF00149
(Metallophos) 		5 VAL A 310
ILE A 309
ILE A 253
PHE A  29
ILE A 322
 None
 1.28A 6mkeB-3tghA:
undetectable
6mkeC-3tghA:
undetectable		 6mkeB-3tghA:
11.08
6mkeC-3tghA:
11.08
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.
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
 1.23A 6mkeB-3um6A:
undetectable
6mkeC-3um6A:
undetectable		 6mkeB-3um6A:
7.93
6mkeC-3um6A:
7.93
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 TYR A 280
ASP A1069
VAL A1089
ILE A1080
TYR A1096
 None
 0.97A 6mkeB-3ummA:
undetectable
6mkeC-3ummA:
undetectable		 6mkeB-3ummA:
4.45
6mkeC-3ummA:
4.45
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.
4a0h ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3)
PF13500
(AAA_26) 		5 ARG A 599
VAL A 510
ILE A 519
ILE A 554
ILE A 580
 None
 1.14A 6mkeB-4a0hA:
undetectable
6mkeC-4a0hA:
undetectable		 6mkeB-4a0hA:
7.85
6mkeC-4a0hA:
7.85
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.
4b0a TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1,
LINKER,
TATA-BOX-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00352
(TBP) 		5 TYR A  19
PHE A 216
ILE A  32
PHE A  23
ILE A 243
 GOL  A1070 ( 4.9A)
None
GOL  A1243 (-4.5A)
GOL  A1070 (-3.7A)
None
 1.19A 6mkeB-4b0aA:
undetectable
6mkeC-4b0aA:
undetectable		 6mkeB-4b0aA:
20.20
6mkeC-4b0aA:
20.20
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
ILE A 342
TRP A 345
PHE A 384
 None
 0.89A 6mkeB-4bf8A:
17.9
6mkeC-4bf8A:
18.0		 6mkeB-4bf8A:
36.25
6mkeC-4bf8A:
36.25
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
 0.81A 6mkeB-4bf8A:
17.9
6mkeC-4bf8A:
18.0		 6mkeB-4bf8A:
36.25
6mkeC-4bf8A:
36.25
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
 0.67A 6mkeB-4dipA:
16.7
6mkeC-4dipA:
16.4		 6mkeB-4dipA:
30.23
6mkeC-4dipA:
30.23
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) 		10 TYR A  33
ASP A  44
ARG A  49
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 FK5  A 201 ( 3.9A)
FK5  A 201 (-3.5A)
FK5  A 201 ( 3.7A)
FK5  A 201 (-4.1A)
FK5  A 201 ( 3.6A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.7A)
None
FK5  A 201 (-4.8A)
 0.48A 6mkeB-4dz3A:
20.3
6mkeC-4dz3A:
20.3		 6mkeB-4dz3A:
53.52
6mkeC-4dz3A:
53.52
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.
4h09 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Eubacterium
ventriosum) 		PF13306
(LRR_5) 		5 PHE A 337
VAL A 346
ILE A 369
ILE A 375
PHE A 383
 None
 1.20A 6mkeB-4h09A:
undetectable
6mkeC-4h09A:
undetectable		 6mkeB-4h09A:
12.94
6mkeC-4h09A:
12.94
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 PHE A 160
VAL A 314
ILE A 317
PHE A 618
ILE A 245
 None
 1.05A 6mkeB-4hhrA:
undetectable
6mkeC-4hhrA:
undetectable		 6mkeB-4hhrA:
9.62
6mkeC-4hhrA:
9.62
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.
4hzi ABC TRANSPORTER
ATP-BINDING PROTEIN

(Leptospira
interrogans) 		PF00005
(ABC_tran) 		5 TYR A 191
PHE A 197
ILE A 154
PHE A 187
TYR A  53
 None
 1.30A 6mkeB-4hziA:
undetectable
6mkeC-4hziA:
undetectable		 6mkeB-4hziA:
16.49
6mkeC-4hziA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  26
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.88A 6mkeB-4iqcA:
19.4
6mkeC-4iqcA:
19.5		 6mkeB-4iqcA:
26.67
6mkeC-4iqcA:
26.67
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.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  26
ASP A  37
ARG A  42
PHE A  46
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.86A 6mkeB-4iqcA:
19.4
6mkeC-4iqcA:
19.5		 6mkeB-4iqcA:
26.67
6mkeC-4iqcA:
26.67
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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 VAL A 364
ILE A 363
PHE A 343
TYR A  47
ILE A  51
 None
 1.23A 6mkeB-4j05A:
undetectable
6mkeC-4j05A:
undetectable		 6mkeB-4j05A:
10.67
6mkeC-4j05A:
10.67
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 ILE A  83
TYR A  42
ILE A  51
PHE A 172
TYR A 356
 None
None
None
None
FMN  A 401 ( 4.2A)
 1.07A 6mkeB-4jipA:
undetectable
6mkeC-4jipA:
undetectable		 6mkeB-4jipA:
15.21
6mkeC-4jipA:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		5 ASP A 303
PHE A 404
VAL A 411
ILE A 263
ILE A  54
 None
 1.29A 6mkeB-4k7cA:
undetectable
6mkeC-4k7cA:
undetectable		 6mkeB-4k7cA:
9.55
6mkeC-4k7cA:
9.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.76A 6mkeB-4lawA:
21.0
6mkeC-4lawA:
20.9		 6mkeB-4lawA:
16.06
6mkeC-4lawA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.81A 6mkeB-4lawA:
21.0
6mkeC-4lawA:
20.9		 6mkeB-4lawA:
16.06
6mkeC-4lawA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mld RESPONSE REGULATOR

(Streptococcus
pneumoniae) 		PF00072
(Response_reg) 		5 ASP A 106
ARG A 120
ILE A  59
ILE A  84
ILE A  19
 None
 1.16A 6mkeB-4mldA:
undetectable
6mkeC-4mldA:
undetectable		 6mkeB-4mldA:
18.88
6mkeC-4mldA:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 0.58A 6mkeB-4mspA:
17.0
6mkeC-4mspA:
16.9		 6mkeB-4mspA:
33.71
6mkeC-4mspA:
33.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nnr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  56
ASP A  67
PHE A  76
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 (-4.0A)
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)
 0.30A 6mkeB-4nnrA:
15.6
6mkeC-4nnrA:
15.7		 6mkeB-4nnrA:
38.89
6mkeC-4nnrA:
38.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.50A 6mkeB-4odmA:
11.3
6mkeC-4odmA:
11.3		 6mkeB-4odmA:
14.29
6mkeC-4odmA:
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.
4odr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA

(Thermus
thermophilus;
Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  13
ASP A  23
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 (-3.9A)
FK5  A 201 (-4.4A)
None
FK5  A 201 ( 4.8A)
 0.49A 6mkeB-4odrA:
12.6
6mkeC-4odrA:
12.7		 6mkeB-4odrA:
16.98
6mkeC-4odrA:
16.98
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.
4opw UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF10988
(DUF2807) 		5 ASP A  68
VAL A  49
ILE A  50
ILE A  65
PHE A  88
 None
None
None
None
EDO  A 301 (-4.3A)
 1.12A 6mkeB-4opwA:
undetectable
6mkeC-4opwA:
undetectable		 6mkeB-4opwA:
17.30
6mkeC-4opwA:
17.30
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 ASP B 851
VAL B 718
ILE B 719
TYR B 847
ILE B 848
 None
 1.11A 6mkeB-4qj4B:
undetectable
6mkeC-4qj4B:
undetectable		 6mkeB-4qj4B:
8.25
6mkeC-4qj4B:
8.25
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) 		10 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.79A 6mkeB-4r0xA:
22.0
6mkeC-4r0xA:
21.8		 6mkeB-4r0xA:
47.50
6mkeC-4r0xA:
47.50
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.
4r2h STIV B204 ATPASE

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 5 ILE A 155
ILE A 204
PHE A 157
TYR A  36
ILE A  38
 None
 1.07A 6mkeB-4r2hA:
undetectable
6mkeC-4r2hA:
undetectable		 6mkeB-4r2hA:
14.62
6mkeC-4r2hA:
14.62
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.
4zas CALS13

(Micromonospora
echinospora) 		PF01041
(DegT_DnrJ_EryC1) 		5 TYR A 308
ASP A 283
ARG A 297
VAL A 292
ILE A 289
 None
 1.15A 6mkeB-4zasA:
undetectable
6mkeC-4zasA:
undetectable		 6mkeB-4zasA:
10.86
6mkeC-4zasA:
10.86
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) 		10 TYR C  36
ASP C  56
ARG C  61
PHE C  64
VAL C  73
ILE C  74
TRP C  77
TYR C 100
ILE C 109
PHE C 117
 FK5  C 201 (-4.1A)
FK5  C 201 ( 3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.5A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.4A)
FK5  C 201 (-4.5A)
None
FK5  C 201 (-4.7A)
 0.47A 6mkeB-5b8iC:
18.3
6mkeC-5b8iC:
18.2		 6mkeB-5b8iC:
32.98
6mkeC-5b8iC:
32.98
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.
5hsb RNA POLYMERASE

(Andes
orthohantavirus) 		no annotation 5 PHE A  92
VAL A 135
ILE A 154
ILE A 101
PHE A 108
 None
 1.12A 6mkeB-5hsbA:
undetectable
6mkeC-5hsbA:
undetectable		 6mkeB-5hsbA:
18.42
6mkeC-5hsbA:
18.42
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) 		9 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 146
 None
 0.51A 6mkeB-5i7pA:
17.8
6mkeC-5i7pA:
17.9		 6mkeB-5i7pA:
34.34
6mkeC-5i7pA:
34.34
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) 		9 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 147
 None
 0.50A 6mkeB-5i7qA:
18.2
6mkeC-5i7qA:
18.3		 6mkeB-5i7qA:
34.34
6mkeC-5i7qA:
34.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		5 TYR A  30
ARG A  46
PHE A  50
VAL A  59
ILE A 105
 None
 1.12A 6mkeB-5i98A:
18.3
6mkeC-5i98A:
18.2		 6mkeB-5i98A:
36.25
6mkeC-5i98A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		9 TYR A  30
ASP A  41
ARG A  46
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 102
 None
 1.34A 6mkeB-5i98A:
18.3
6mkeC-5i98A:
18.2		 6mkeB-5i98A:
36.25
6mkeC-5i98A:
36.25
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
ARG A  46
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 106
PHE A 114
 None
 0.61A 6mkeB-5i98A:
18.3
6mkeC-5i98A:
18.2		 6mkeB-5i98A:
36.25
6mkeC-5i98A:
36.25
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) 		10 TYR A  27
ASP A  38
ARG A  43
PHE A  47
VAL A  56
ILE A  57
TRP A  60
TYR A  83
ILE A  92
PHE A 100
 None
 0.61A 6mkeB-5j6eA:
19.5
6mkeC-5j6eA:
19.5		 6mkeB-5j6eA:
38.75
6mkeC-5j6eA:
38.75
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.
5jcv LMO2181 PROTEIN

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 ASP A 125
VAL A  75
ILE A  89
TYR A 161
ILE A 221
 None
 1.01A 6mkeB-5jcvA:
undetectable
6mkeC-5jcvA:
undetectable		 6mkeB-5jcvA:
19.68
6mkeC-5jcvA:
19.68
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 ARG A  72
PHE A 584
VAL A 561
ILE A 559
ILE A  68
 None
 1.18A 6mkeB-5ldnA:
undetectable
6mkeC-5ldnA:
undetectable		 6mkeB-5ldnA:
6.48
6mkeC-5ldnA:
6.48
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.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		5 ILE A  86
TYR A  45
ILE A  54
PHE A 175
TYR A 351
 None
None
None
None
FMN  A 401 ( 4.0A)
 1.11A 6mkeB-5lgxA:
undetectable
6mkeC-5lgxA:
undetectable		 6mkeB-5lgxA:
13.49
6mkeC-5lgxA:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9)
PF02662
(FlpD) 		5 TYR D  18
ASP D  22
ILE D  35
TYR D  31
ILE A  17
 None
 1.15A 6mkeB-5odrD:
undetectable
6mkeC-5odrD:
undetectable		 6mkeB-5odrD:
15.28
6mkeC-5odrD:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Saccharomyces
cerevisiae;
Burkholderia
pseudomallei) 		no annotation 10 TYR A  33
ASP A  44
ARG A  49
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-4.0A)
8ZV  A 201 (-3.3A)
8ZV  A 201 (-4.6A)
8ZV  A 201 ( 4.8A)
8ZV  A 201 (-4.6A)
 0.50A 6mkeB-5v8tA:
20.4
6mkeC-5v8tA:
20.3		 6mkeB-5v8tA:
29.03
6mkeC-5v8tA:
29.03
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.
5w5y RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN6

(Saccharomyces
cerevisiae) 		PF10214
(Rrn6) 		5 ASP O 409
VAL O 424
ILE O 414
TYR O 405
TYR O 469
 None
 1.17A 6mkeB-5w5yO:
undetectable
6mkeC-5w5yO:
undetectable		 6mkeB-5w5yO:
6.04
6mkeC-5w5yO:
6.04
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 VAL A 188
ILE A 189
ILE A 225
PHE A 206
ILE A 458
 None
 1.17A 6mkeB-5x2qA:
undetectable
6mkeC-5x2qA:
undetectable		 6mkeB-5x2qA:
12.50
6mkeC-5x2qA:
12.50
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.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		6 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.11A 6mkeB-5xb0A:
16.7
6mkeC-5xb0A:
16.4		 6mkeB-5xb0A:
18.38
6mkeC-5xb0A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6mkeB-5xb0A:
16.7
6mkeC-5xb0A:
16.4		 6mkeB-5xb0A:
18.38
6mkeC-5xb0A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0y SERINE
HYDROXYMETHYLTRANSFE
RASE

(Komagataella
phaffii) 		no annotation 5 TYR A 339
ASP A 418
VAL A 393
ILE A 395
PHE A 334
 None
 1.27A 6mkeB-5z0yA:
undetectable
6mkeC-5z0yA:
undetectable		 6mkeB-5z0yA:
25.84
6mkeC-5z0yA:
25.84
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 TYR A  81
ARG A 440
TRP A  67
PHE A  84
ILE A 472
 ACT  A 803 ( 3.9A)
None
None
None
None
 1.20A 6mkeB-6axeA:
undetectable
6mkeC-6axeA:
undetectable		 6mkeB-6axeA:
9.11
6mkeC-6axeA:
9.11
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 10 TYR A  38
ASP A  49
ARG A  54
PHE A  58
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A 103
PHE A 111
 None
 0.59A 6mkeB-6b4pA:
24.8
6mkeC-6b4pA:
24.8		 6mkeB-6b4pA:
100.00
6mkeC-6b4pA:
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.
6d12 LA-RELATED PROTEIN 7

(Homo sapiens) 		no annotation 5 ARG A 472
VAL A 457
ILE A 456
TYR A 532
ILE A 536
 G  C 333 ( 3.7A)
None
None
G  C 331 ( 4.7A)
G  C 331 ( 4.0A)
 1.17A 6mkeB-6d12A:
undetectable
6mkeC-6d12A:
undetectable		 6mkeB-6d12A:
22.58
6mkeC-6d12A:
22.58