SIMILAR PATTERNS OF AMINO ACIDS FOR 6MKE_A_FK5A201_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.
1bwz PROTEIN
(DIAMINOPIMELATE
EPIMERASE)

(Haemophilus
influenzae) 		PF01678
(DAP_epimerase) 		5 VAL A  48
ILE A  47
ILE A  30
TYR A 268
ILE A 267
 None
 1.12A 6mkeA-1bwzA:
undetectable
6mkeD-1bwzA:
undetectable		 6mkeA-1bwzA:
13.38
6mkeD-1bwzA:
13.38
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.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		7 ASP A 142
PHE A 153
ILE A 159
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 1.08A 6mkeA-1fd9A:
17.7
6mkeD-1fd9A:
17.7		 6mkeA-1fd9A:
27.34
6mkeD-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
 0.54A 6mkeA-1fd9A:
17.7
6mkeD-1fd9A:
17.7		 6mkeA-1fd9A:
27.34
6mkeD-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
 0.56A 6mkeA-1fkkA:
19.9
6mkeD-1fkkA:
19.7		 6mkeA-1fkkA:
34.34
6mkeD-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
 1.38A 6mkeA-1fkkA:
19.9
6mkeD-1fkkA:
19.7		 6mkeA-1fkkA:
34.34
6mkeD-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
 1.09A 6mkeA-1iduA:
undetectable
6mkeD-1iduA:
undetectable		 6mkeA-1iduA:
8.47
6mkeD-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
 0.99A 6mkeA-1jvwA:
16.3
6mkeD-1jvwA:
16.1		 6mkeA-1jvwA:
21.56
6mkeD-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
 0.59A 6mkeA-1jvwA:
16.3
6mkeD-1jvwA:
16.1		 6mkeA-1jvwA:
21.56
6mkeD-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
 0.75A 6mkeA-1jvwA:
16.3
6mkeD-1jvwA:
16.1		 6mkeA-1jvwA:
21.56
6mkeD-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 6mkeA-1kt1A:
17.2
6mkeD-1kt1A:
17.0		 6mkeA-1kt1A:
42.86
6mkeD-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
 0.82A 6mkeA-1kt1A:
17.2
6mkeD-1kt1A:
17.0		 6mkeA-1kt1A:
42.86
6mkeD-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
 1.12A 6mkeA-1lnlA:
undetectable
6mkeD-1lnlA:
undetectable		 6mkeA-1lnlA:
10.86
6mkeD-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
 1.31A 6mkeA-1lwhA:
undetectable
6mkeD-1lwhA:
undetectable		 6mkeA-1lwhA:
10.98
6mkeD-1lwhA:
10.98
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
 0.56A 6mkeA-1n1aA:
20.8
6mkeD-1n1aA:
20.7		 6mkeA-1n1aA:
43.96
6mkeD-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 6mkeA-1o20A:
undetectable
6mkeD-1o20A:
undetectable		 6mkeA-1o20A:
11.24
6mkeD-1o20A:
11.24
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 6mkeA-1pbkA:
18.1
6mkeD-1pbkA:
18.1		 6mkeA-1pbkA:
36.99
6mkeD-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
 1.37A 6mkeA-1q6hA:
17.0
6mkeD-1q6hA:
17.0		 6mkeA-1q6hA:
17.81
6mkeD-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
 0.56A 6mkeA-1q6hA:
17.0
6mkeD-1q6hA:
17.0		 6mkeA-1q6hA:
17.81
6mkeD-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
 0.62A 6mkeA-1r9hA:
21.9
6mkeD-1r9hA:
22.1		 6mkeA-1r9hA:
43.90
6mkeD-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 6mkeA-1rc7A:
undetectable
6mkeD-1rc7A:
undetectable		 6mkeA-1rc7A:
16.06
6mkeD-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
 1.14A 6mkeA-1ry2A:
undetectable
6mkeD-1ry2A:
undetectable		 6mkeA-1ry2A:
9.10
6mkeD-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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 VAL A 565
ILE A 566
TYR A 459
TYR A 123
ILE A 535
 None
 1.29A 6mkeA-1s5jA:
undetectable
6mkeD-1s5jA:
undetectable		 6mkeA-1s5jA:
6.17
6mkeD-1s5jA:
6.17
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.
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
 1.22A 6mkeA-1sqgA:
undetectable
6mkeD-1sqgA:
undetectable		 6mkeA-1sqgA:
10.66
6mkeD-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) 		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
 0.43A 6mkeA-1u79A:
19.2
6mkeD-1u79A:
19.3		 6mkeA-1u79A:
36.25
6mkeD-1u79A:
36.25
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 ASP A 375
ARG A 403
ILE A 424
TYR A 393
ILE A 396
 None
 0.95A 6mkeA-1xhbA:
undetectable
6mkeD-1xhbA:
undetectable		 6mkeA-1xhbA:
11.55
6mkeD-1xhbA:
11.55
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
 0.44A 6mkeA-1yatA:
21.3
6mkeD-1yatA:
21.3		 6mkeA-1yatA:
48.48
6mkeD-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.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01380
(SIS) 		5 TYR A 171
ARG A  27
PHE A 168
TYR A 149
ILE A  23
 None
 1.32A 6mkeA-2a3nA:
undetectable
6mkeD-2a3nA:
undetectable		 6mkeA-2a3nA:
14.74
6mkeD-2a3nA:
14.74
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.
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
 1.06A 6mkeA-2btvA:
undetectable
6mkeD-2btvA:
undetectable		 6mkeA-2btvA:
5.76
6mkeD-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.
2cfo GLUTAMYL-TRNA
SYNTHETASE

(Synechococcus
elongatus) 		PF00749
(tRNA-synt_1c) 		5 ILE A 304
TRP A 280
ILE A 209
PHE A 299
ILE A 258
 None
 1.25A 6mkeA-2cfoA:
undetectable
6mkeD-2cfoA:
undetectable		 6mkeA-2cfoA:
10.45
6mkeD-2cfoA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 6mkeA-2hjgA:
undetectable
6mkeD-2hjgA:
undetectable		 6mkeA-2hjgA:
14.33
6mkeD-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) 		6 TYR A  27
PHE A  47
VAL A  56
ILE A  57
TRP A  60
ILE A  92
 None
 0.94A 6mkeA-2lpvA:
17.1
6mkeD-2lpvA:
17.1		 6mkeA-2lpvA:
43.75
6mkeD-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.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 TYR A 385
ARG A  58
PHE A 313
VAL A 350
ILE A 351
 None
 1.30A 6mkeA-2ongA:
undetectable
6mkeD-2ongA:
undetectable		 6mkeA-2ongA:
9.70
6mkeD-2ongA:
9.70
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
 0.81A 6mkeA-2pbcA:
15.1
6mkeD-2pbcA:
15.3		 6mkeA-2pbcA:
56.36
6mkeD-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.
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)
 0.79A 6mkeA-2vcdA:
14.6
6mkeD-2vcdA:
14.5		 6mkeA-2vcdA:
27.78
6mkeD-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 6mkeA-2vcdA:
14.6
6mkeD-2vcdA:
14.5		 6mkeA-2vcdA:
27.78
6mkeD-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)
 0.69A 6mkeA-2vcdA:
14.6
6mkeD-2vcdA:
14.5		 6mkeA-2vcdA:
27.78
6mkeD-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 6mkeA-2vn1A:
21.7
6mkeD-2vn1A:
21.5		 6mkeA-2vn1A:
40.96
6mkeD-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
 0.68A 6mkeA-2y78A:
19.3
6mkeD-2y78A:
19.3		 6mkeA-2y78A:
50.00
6mkeD-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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 ASP A 286
PHE A 204
ILE A 210
ILE A 181
PHE A 250
 PLP  A 900 (-3.2A)
PLP  A 900 (-4.2A)
None
None
None
 1.06A 6mkeA-2zy2A:
undetectable
6mkeD-2zy2A:
undetectable		 6mkeA-2zy2A:
8.27
6mkeD-2zy2A:
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.
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
 0.96A 6mkeA-3b7xA:
16.9
6mkeD-3b7xA:
16.7		 6mkeA-3b7xA:
21.48
6mkeD-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
 1.23A 6mkeA-3doaA:
undetectable
6mkeD-3doaA:
undetectable		 6mkeA-3doaA:
11.90
6mkeD-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.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		5 ASP A 208
ARG A 214
PHE A 212
VAL A 106
TYR A 155
 None
 1.22A 6mkeA-3focA:
undetectable
6mkeD-3focA:
undetectable		 6mkeA-3focA:
11.42
6mkeD-3focA:
11.42
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.04A 6mkeA-3nzpA:
undetectable
6mkeD-3nzpA:
undetectable		 6mkeA-3nzpA:
7.14
6mkeD-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) 		6 ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
 None
 1.48A 6mkeA-3o5dA:
21.0
6mkeD-3o5dA:
20.8		 6mkeA-3o5dA:
44.44
6mkeD-3o5dA:
44.44
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
 0.77A 6mkeA-3o5dA:
21.0
6mkeD-3o5dA:
20.8		 6mkeA-3o5dA:
44.44
6mkeD-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
 0.79A 6mkeA-3o5eA:
20.9
6mkeD-3o5eA:
20.8		 6mkeA-3o5eA:
44.44
6mkeD-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
 0.82A 6mkeA-3o5eA:
20.9
6mkeD-3o5eA:
20.8		 6mkeA-3o5eA:
44.44
6mkeD-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
 1.15A 6mkeA-3o8oA:
undetectable
6mkeD-3o8oA:
undetectable		 6mkeA-3o8oA:
7.46
6mkeD-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
 0.69A 6mkeA-3pa7A:
21.5
6mkeD-3pa7A:
21.6		 6mkeA-3pa7A:
40.96
6mkeD-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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 292
VAL A 374
ILE A 373
TYR A 220
ILE A  15
 None
 1.29A 6mkeA-3u0fA:
undetectable
6mkeD-3u0fA:
undetectable		 6mkeA-3u0fA:
10.71
6mkeD-3u0fA:
10.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6mkeA-3um6A:
undetectable
6mkeD-3um6A:
undetectable		 6mkeA-3um6A:
7.93
6mkeD-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
 1.03A 6mkeA-3ummA:
undetectable
6mkeD-3ummA:
undetectable		 6mkeA-3ummA:
4.45
6mkeD-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.
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 6mkeA-4b0aA:
undetectable
6mkeD-4b0aA:
undetectable		 6mkeA-4b0aA:
20.20
6mkeD-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) 		7 ASP A 324
VAL A 341
ILE A 342
TRP A 345
TYR A 368
ILE A 376
PHE A 384
 None
 0.71A 6mkeA-4bf8A:
18.1
6mkeD-4bf8A:
17.9		 6mkeA-4bf8A:
36.25
6mkeD-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) 		7 TYR A 313
ASP A 324
PHE A 332
VAL A 341
ILE A 342
TRP A 345
PHE A 384
 None
 0.81A 6mkeA-4bf8A:
18.1
6mkeD-4bf8A:
17.9		 6mkeA-4bf8A:
36.25
6mkeD-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) 		7 TYR A 313
ASP A 324
VAL A 341
ILE A 342
TRP A 345
TYR A 368
PHE A 384
 None
 0.76A 6mkeA-4bf8A:
18.1
6mkeD-4bf8A:
17.9		 6mkeA-4bf8A:
36.25
6mkeD-4bf8A:
36.25
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.
4c0e NOT1

(Chaetomium
thermophilum) 		PF04054
(Not1) 		5 TYR A2111
ASP A2075
ARG A2059
PHE A2069
ILE A2119
 None
 1.22A 6mkeA-4c0eA:
undetectable
6mkeD-4c0eA:
undetectable		 6mkeA-4c0eA:
10.42
6mkeD-4c0eA:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d3y LEGUMAIN

(Cricetulus
griseus) 		PF01650
(Peptidase_C13) 		5 VAL A  37
ILE A  38
ILE A  60
TYR A 210
ILE A 280
 None
 1.26A 6mkeA-4d3yA:
undetectable
6mkeD-4d3yA:
undetectable		 6mkeA-4d3yA:
13.07
6mkeD-4d3yA:
13.07
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
 0.65A 6mkeA-4dipA:
16.6
6mkeD-4dipA:
16.7		 6mkeA-4dipA:
30.23
6mkeD-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)
 0.50A 6mkeA-4dz3A:
20.3
6mkeD-4dz3A:
20.4		 6mkeA-4dz3A:
53.52
6mkeD-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
 1.25A 6mkeA-4h09A:
undetectable
6mkeD-4h09A:
undetectable		 6mkeA-4h09A:
12.94
6mkeD-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
 1.03A 6mkeA-4hhrA:
undetectable
6mkeD-4hhrA:
undetectable		 6mkeA-4hhrA:
9.62
6mkeD-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.
4hl7 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF04095
(NAPRTase) 		5 ASP A 303
ARG A 342
PHE A 321
ILE A 273
TRP A 301
 None
 1.33A 6mkeA-4hl7A:
undetectable
6mkeD-4hl7A:
undetectable		 6mkeA-4hl7A:
13.08
6mkeD-4hl7A:
13.08
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.
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
 1.28A 6mkeA-4hziA:
undetectable
6mkeD-4hziA:
undetectable		 6mkeA-4hziA:
16.49
6mkeD-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
ASP A  37
ARG A  42
PHE A  46
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.88A 6mkeA-4iqcA:
19.3
6mkeD-4iqcA:
19.3		 6mkeA-4iqcA:
26.67
6mkeD-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) 		7 TYR A  26
PHE A  46
VAL A  55
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.79A 6mkeA-4iqcA:
19.3
6mkeD-4iqcA:
19.3		 6mkeA-4iqcA:
26.67
6mkeD-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.
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)
 1.09A 6mkeA-4jipA:
undetectable
6mkeD-4jipA:
undetectable		 6mkeA-4jipA:
15.21
6mkeD-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.
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)
 0.72A 6mkeA-4lawA:
21.2
6mkeD-4lawA:
21.2		 6mkeA-4lawA:
16.06
6mkeD-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)
 0.77A 6mkeA-4lawA:
21.2
6mkeD-4lawA:
21.2		 6mkeA-4lawA:
16.06
6mkeD-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
 1.30A 6mkeA-4mldA:
undetectable
6mkeD-4mldA:
undetectable		 6mkeA-4mldA:
18.88
6mkeD-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
 0.56A 6mkeA-4mspA:
16.9
6mkeD-4mspA:
17.0		 6mkeA-4mspA:
33.71
6mkeD-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)
 0.35A 6mkeA-4nnrA:
15.5
6mkeD-4nnrA:
15.7		 6mkeA-4nnrA:
38.89
6mkeD-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
 0.49A 6mkeA-4odmA:
11.3
6mkeD-4odmA:
11.4		 6mkeA-4odmA:
14.29
6mkeD-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)
 0.50A 6mkeA-4odrA:
12.6
6mkeD-4odrA:
12.8		 6mkeA-4odrA:
16.98
6mkeD-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)
 1.10A 6mkeA-4opwA:
undetectable
6mkeD-4opwA:
undetectable		 6mkeA-4opwA:
17.30
6mkeD-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.
4ovx XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

(Planctopirus
limnophila) 		PF01261
(AP_endonuc_2) 		5 TYR A 267
PHE A 222
VAL A 283
ILE A  48
ILE A 298
 None
 1.30A 6mkeA-4ovxA:
undetectable
6mkeD-4ovxA:
undetectable		 6mkeA-4ovxA:
14.89
6mkeD-4ovxA:
14.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.72A 6mkeA-4r0xA:
21.8
6mkeD-4r0xA:
21.8		 6mkeA-4r0xA:
47.50
6mkeD-4r0xA:
47.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
 0.83A 6mkeA-4r0xA:
21.8
6mkeD-4r0xA:
21.8		 6mkeA-4r0xA:
47.50
6mkeD-4r0xA:
47.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
 0.86A 6mkeA-4r0xA:
21.8
6mkeD-4r0xA:
21.8		 6mkeA-4r0xA:
47.50
6mkeD-4r0xA:
47.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.73A 6mkeA-4r0xA:
21.8
6mkeD-4r0xA:
21.8		 6mkeA-4r0xA:
47.50
6mkeD-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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 PHE B 859
VAL B 984
ILE B 869
ILE B 897
ILE B 816
 None
 1.25A 6mkeA-4zktB:
undetectable
6mkeD-4zktB:
undetectable		 6mkeA-4zktB:
4.36
6mkeD-4zktB:
4.36
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.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		5 ASP A 944
PHE A 845
ILE A 840
TYR A 459
ILE A 883
 None
 1.03A 6mkeA-4zmhA:
undetectable
6mkeD-4zmhA:
undetectable		 6mkeA-4zmhA:
6.27
6mkeD-4zmhA:
6.27
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)
 0.35A 6mkeA-5b8iC:
18.3
6mkeD-5b8iC:
18.1		 6mkeA-5b8iC:
32.98
6mkeD-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
 1.19A 6mkeA-5hsbA:
undetectable
6mkeD-5hsbA:
undetectable		 6mkeA-5hsbA:
18.42
6mkeD-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
 0.65A 6mkeA-5i7pA:
17.9
6mkeD-5i7pA:
17.8		 6mkeA-5i7pA:
34.34
6mkeD-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
 0.57A 6mkeA-5i7qA:
18.3
6mkeD-5i7qA:
18.2		 6mkeA-5i7qA:
34.34
6mkeD-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) 		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
 1.36A 6mkeA-5i98A:
18.2
6mkeD-5i98A:
18.1		 6mkeA-5i98A:
36.25
6mkeD-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
 0.57A 6mkeA-5i98A:
18.2
6mkeD-5i98A:
18.1		 6mkeA-5i98A:
36.25
6mkeD-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
 0.73A 6mkeA-5j6eA:
19.4
6mkeD-5j6eA:
19.3		 6mkeA-5j6eA:
38.75
6mkeD-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
 1.02A 6mkeA-5jcvA:
undetectable
6mkeD-5jcvA:
undetectable		 6mkeA-5jcvA:
19.68
6mkeD-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.
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)
 1.12A 6mkeA-5lgxA:
undetectable
6mkeD-5lgxA:
undetectable		 6mkeA-5lgxA:
13.49
6mkeD-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.
5lub LEGUMAIN

(Homo sapiens) 		no annotation 5 VAL B  32
ILE B  33
ILE B  55
TYR B 205
ILE B 275
 None
 1.27A 6mkeA-5lubB:
undetectable
6mkeD-5lubB:
undetectable		 6mkeA-5lubB:
13.69
6mkeD-5lubB:
13.69
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.
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
 1.25A 6mkeA-5mszA:
undetectable
6mkeD-5mszA:
undetectable		 6mkeA-5mszA:
22.58
6mkeD-5mszA:
22.58
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.
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)
 0.51A 6mkeA-5v8tA:
20.3
6mkeD-5v8tA:
20.3		 6mkeA-5v8tA:
29.03
6mkeD-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 6mkeA-5w5yO:
undetectable
6mkeD-5w5yO:
undetectable		 6mkeA-5w5yO:
6.04
6mkeD-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.
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
 0.65A 6mkeA-5xb0A:
16.7
6mkeD-5xb0A:
16.2		 6mkeA-5xb0A:
18.38
6mkeD-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) 		7 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.05A 6mkeA-5xb0A:
16.7
6mkeD-5xb0A:
16.2		 6mkeA-5xb0A:
18.38
6mkeD-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
 1.29A 6mkeA-5z0yA:
undetectable
6mkeD-5z0yA:
undetectable		 6mkeA-5z0yA:
25.84
6mkeD-5z0yA:
25.84
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
 0.73A 6mkeA-6b4pA:
24.7
6mkeD-6b4pA:
24.3		 6mkeA-6b4pA:
100.00
6mkeD-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)
 1.00A 6mkeA-6d12A:
undetectable
6mkeD-6d12A:
undetectable		 6mkeA-6d12A:
22.58
6mkeD-6d12A:
22.58