SIMILAR PATTERNS OF AMINO ACIDS FOR 4DZ2_B_FK5B200_1

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.
1eom ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F3

(Elizabethkingia
meningoseptica) 		PF00704
(Glyco_hydro_18) 		5 ASP A  34
VAL A 284
ILE A 271
TYR A 274
ILE A  29
 None
 1.31A 4dz2A-1eomA:
undetectable
4dz2B-1eomA:
undetectable		 4dz2A-1eomA:
16.32
4dz2B-1eomA:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.12A 4dz2A-1fd9A:
18.2
4dz2B-1fd9A:
18.2		 4dz2A-1fd9A:
21.80
4dz2B-1fd9A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.57A 4dz2A-1fd9A:
18.2
4dz2B-1fd9A:
18.2		 4dz2A-1fd9A:
21.80
4dz2B-1fd9A:
21.80
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
 0.71A 4dz2A-1fkkA:
18.8
4dz2B-1fkkA:
18.8		 4dz2A-1fkkA:
54.87
4dz2B-1fkkA:
54.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		5 TYR A 163
PHE A 151
VAL A 140
TRP A  96
PHE A 166
 None
 1.35A 4dz2A-1hxjA:
undetectable
4dz2B-1hxjA:
undetectable		 4dz2A-1hxjA:
12.74
4dz2B-1hxjA:
12.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		7 ARG A 108
PHE A 114
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 1.02A 4dz2A-1jvwA:
16.7
4dz2B-1jvwA:
16.7		 4dz2A-1jvwA:
32.54
4dz2B-1jvwA:
32.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		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
 0.57A 4dz2A-1jvwA:
16.7
4dz2B-1jvwA:
16.7		 4dz2A-1jvwA:
32.54
4dz2B-1jvwA:
32.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		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
 0.70A 4dz2A-1jvwA:
16.7
4dz2B-1jvwA:
16.7		 4dz2A-1jvwA:
32.54
4dz2B-1jvwA:
32.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		7 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.80A 4dz2A-1kt1A:
16.0
4dz2B-1kt1A:
16.0		 4dz2A-1kt1A:
13.48
4dz2B-1kt1A:
13.48
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
 0.55A 4dz2A-1n1aA:
18.8
4dz2B-1n1aA:
18.9		 4dz2A-1n1aA:
47.45
4dz2B-1n1aA:
47.45
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) 		6 PHE A 164
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 None
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 1.36A 4dz2A-1pbkA:
17.9
4dz2B-1pbkA:
17.9		 4dz2A-1pbkA:
41.32
4dz2B-1pbkA:
41.32
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
 0.32A 4dz2A-1pbkA:
17.9
4dz2B-1pbkA:
17.9		 4dz2A-1pbkA:
41.32
4dz2B-1pbkA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 1.26A 4dz2A-1q6hA:
18.4
4dz2B-1q6hA:
18.4		 4dz2A-1q6hA:
30.96
4dz2B-1q6hA:
30.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 0.69A 4dz2A-1q6hA:
18.4
4dz2B-1q6hA:
18.4		 4dz2A-1q6hA:
30.96
4dz2B-1q6hA:
30.96
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
 0.66A 4dz2A-1r9hA:
20.0
4dz2B-1r9hA:
20.2		 4dz2A-1r9hA:
45.60
4dz2B-1r9hA:
45.60
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.36A 4dz2A-1rc7A:
undetectable
4dz2B-1rc7A:
undetectable		 4dz2A-1rc7A:
16.59
4dz2B-1rc7A:
16.59
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.
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
 1.03A 4dz2A-1ry2A:
undetectable
4dz2B-1ry2A:
undetectable		 4dz2A-1ry2A:
9.59
4dz2B-1ry2A:
9.59
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
 0.44A 4dz2A-1u79A:
20.5
4dz2B-1u79A:
20.5		 4dz2A-1u79A:
42.19
4dz2B-1u79A:
42.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xv2 HYPOTHETICAL
PROTEIN, SIMILAR TO
ALPHA-ACETOLACTATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF03306
(AAL_decarboxy) 		5 MET A 103
PHE A 172
VAL A 112
ILE A 114
PHE A 190
 None
 1.35A 4dz2A-1xv2A:
undetectable
4dz2B-1xv2A:
undetectable		 4dz2A-1xv2A:
19.83
4dz2B-1xv2A:
19.83
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
 0.54A 4dz2A-1yatA:
21.0
4dz2B-1yatA:
21.1		 4dz2A-1yatA:
50.88
4dz2B-1yatA:
50.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb1 ENDORIBONUCLEASE
DICER

(Homo sapiens) 		PF00636
(Ribonuclease_3) 		5 MET A 179
TYR A  99
PHE A  11
ILE A 153
ILE A 111
 None
 1.05A 4dz2A-2eb1A:
undetectable
4dz2B-2eb1A:
undetectable		 4dz2A-2eb1A:
17.74
4dz2B-2eb1A:
17.74
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
 1.09A 4dz2A-2lpvA:
16.1
4dz2B-2lpvA:
16.2		 4dz2A-2lpvA:
50.43
4dz2B-2lpvA:
50.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2lpv FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Aedes aegypti) 		PF00254
(FKBP_C) 		5 TYR A  27
VAL A  56
ILE A  57
TRP A  60
ILE A  92
 None
 1.07A 4dz2A-2lpvA:
16.1
4dz2B-2lpvA:
16.2		 4dz2A-2lpvA:
50.43
4dz2B-2lpvA:
50.43
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) 		6 PHE A  78
ILE A  86
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 None
PEG  A 201 (-3.8A)
PEG  A 201 (-3.7A)
None
None
None
 1.43A 4dz2A-2pbcA:
16.2
4dz2B-2pbcA:
16.1		 4dz2A-2pbcA:
56.25
4dz2B-2pbcA:
56.25
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
 0.78A 4dz2A-2pbcA:
16.2
4dz2B-2pbcA:
16.1		 4dz2A-2pbcA:
56.25
4dz2B-2pbcA:
56.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 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)
 0.73A 4dz2A-2vcdA:
15.3
4dz2B-2vcdA:
15.4		 4dz2A-2vcdA:
33.33
4dz2B-2vcdA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 TYR A  55
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)
 0.74A 4dz2A-2vcdA:
15.3
4dz2B-2vcdA:
15.4		 4dz2A-2vcdA:
33.33
4dz2B-2vcdA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 TYR A  55
VAL A  82
ILE A  83
TRP A  86
TYR A 109
 RAP  A 138 (-2.6A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
RAP  A 138 (-3.8A)
 0.63A 4dz2A-2vcdA:
15.3
4dz2B-2vcdA:
15.4		 4dz2A-2vcdA:
33.33
4dz2B-2vcdA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 VAL A  82
ILE A  83
TRP A  86
TYR A 109
PHE A 126
 RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
RAP  A 138 (-3.8A)
RAP  A 138 ( 4.7A)
 0.92A 4dz2A-2vcdA:
15.3
4dz2B-2vcdA:
15.4		 4dz2A-2vcdA:
33.33
4dz2B-2vcdA:
33.33
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)
 0.55A 4dz2A-2vn1A:
20.2
4dz2B-2vn1A:
20.3		 4dz2A-2vn1A:
40.94
4dz2B-2vn1A:
40.94
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
 0.72A 4dz2A-2y78A:
23.4
4dz2B-2y78A:
23.5		 4dz2A-2y78A:
85.50
4dz2B-2y78A:
85.50
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.
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
 0.91A 4dz2A-3b7xA:
15.7
4dz2B-3b7xA:
15.7		 4dz2A-3b7xA:
28.79
4dz2B-3b7xA:
28.79
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.
3bo6 HYDROPHILIC PROTEIN,
VIRA PROTEIN

(Chromobacterium
violaceum) 		PF03536
(VRP3) 		5 MET A  44
TYR A 212
ASP A 103
ILE A 180
ILE A 132
 None
 1.39A 4dz2A-3bo6A:
undetectable
4dz2B-3bo6A:
undetectable		 4dz2A-3bo6A:
20.91
4dz2B-3bo6A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c4b ENDORIBONUCLEASE
DICER

(Mus musculus) 		PF00636
(Ribonuclease_3) 		5 MET A1821
TYR A1741
PHE A1653
ILE A1795
ILE A1753
 None
 1.10A 4dz2A-3c4bA:
undetectable
4dz2B-3c4bA:
undetectable		 4dz2A-3c4bA:
16.73
4dz2B-3c4bA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clo TRANSCRIPTIONAL
REGULATOR

(Bacteroides
thetaiotaomicron) 		PF00196
(GerE) 		5 ASP A  82
PHE A 106
VAL A 142
TYR A 160
ILE A  86
 None
 1.37A 4dz2A-3cloA:
undetectable
4dz2B-3cloA:
undetectable		 4dz2A-3cloA:
19.83
4dz2B-3cloA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2t BASEPLATE STRUCTURAL
PROTEIN GP6

(Escherichia
virus T4) 		no annotation 5 ARG A 586
VAL A 541
ILE A 540
ILE A 606
PHE A 515
 None
 1.17A 4dz2A-3h2tA:
undetectable
4dz2B-3h2tA:
undetectable		 4dz2A-3h2tA:
18.46
4dz2B-3h2tA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2t BASEPLATE STRUCTURAL
PROTEIN GP6

(Escherichia
virus T4) 		no annotation 5 TYR A 536
ASP A 562
ARG A 521
TYR A 590
ILE A 609
 None
 1.14A 4dz2A-3h2tA:
undetectable
4dz2B-3h2tA:
undetectable		 4dz2A-3h2tA:
18.46
4dz2B-3h2tA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		5 TYR A 147
ASP A 126
PHE A 151
VAL A 122
ILE A 123
 None
 1.34A 4dz2A-3i9fA:
undetectable
4dz2B-3i9fA:
undetectable		 4dz2A-3i9fA:
21.69
4dz2B-3i9fA:
21.69
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.
3ibp CHROMOSOME PARTITION
PROTEIN MUKB

(Escherichia
coli) 		PF16330
(MukB_hinge) 		5 TYR A 690
ASP A 746
PHE A 778
ILE A 737
PHE A 744
 None
 1.41A 4dz2A-3ibpA:
undetectable
4dz2B-3ibpA:
undetectable		 4dz2A-3ibpA:
16.21
4dz2B-3ibpA:
16.21
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.
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
 1.38A 4dz2A-3j9dA:
undetectable
4dz2B-3j9dA:
undetectable		 4dz2A-3j9dA:
7.39
4dz2B-3j9dA:
7.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j9t V-TYPE PROTON ATPASE
SUBUNIT E

(Saccharomyces
cerevisiae) 		no annotation 5 TYR K 117
ASP K 145
ARG K 144
ILE K 125
ILE K 174
 None
 1.39A 4dz2A-3j9tK:
undetectable
4dz2B-3j9tK:
undetectable		 4dz2A-3j9tK:
17.24
4dz2B-3j9tK:
17.24
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
 0.78A 4dz2A-3o5dA:
18.9
4dz2B-3o5dA:
19.0		 4dz2A-3o5dA:
34.88
4dz2B-3o5dA:
34.88
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
 0.73A 4dz2A-3o5eA:
19.0
4dz2B-3o5eA:
19.2		 4dz2A-3o5eA:
41.84
4dz2B-3o5eA:
41.84
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
 0.76A 4dz2A-3o5eA:
19.0
4dz2B-3o5eA:
19.2		 4dz2A-3o5eA:
41.84
4dz2B-3o5eA:
41.84
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
 0.68A 4dz2A-3pa7A:
19.9
4dz2B-3pa7A:
19.9		 4dz2A-3pa7A:
40.32
4dz2B-3pa7A:
40.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnk PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 MET A 370
TYR A 396
VAL A 363
ILE A 354
ILE A 389
 None
 1.31A 4dz2A-3qnkA:
undetectable
4dz2B-3qnkA:
undetectable		 4dz2A-3qnkA:
15.20
4dz2B-3qnkA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6a BREAST CANCER
ANTI-ESTROGEN
RESISTANCE PROTEIN 3

(Homo sapiens) 		PF00617
(RasGEF) 		5 MET A 641
ARG A 562
PHE A 768
VAL A 551
ILE A 777
 None
 1.39A 4dz2A-3t6aA:
undetectable
4dz2B-3t6aA:
undetectable		 4dz2A-3t6aA:
14.33
4dz2B-3t6aA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 4dz2A-3um6A:
undetectable
4dz2B-3um6A:
undetectable		 4dz2A-3um6A:
10.60
4dz2B-3um6A:
10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ASP A 491
ARG A 316
ILE A 461
ILE A 496
PHE A 407
 None
 1.36A 4dz2A-4b3iA:
undetectable
4dz2B-4b3iA:
undetectable		 4dz2A-4b3iA:
11.22
4dz2B-4b3iA:
11.22
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
 0.77A 4dz2A-4bf8A:
18.5
4dz2B-4bf8A:
18.5		 4dz2A-4bf8A:
41.53
4dz2B-4bf8A:
41.53
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
 0.89A 4dz2A-4bf8A:
18.5
4dz2B-4bf8A:
18.5		 4dz2A-4bf8A:
41.53
4dz2B-4bf8A:
41.53
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 4dz2A-4bf8A:
18.5
4dz2B-4bf8A:
18.5		 4dz2A-4bf8A:
41.53
4dz2B-4bf8A:
41.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckm SAS-6

(Leishmania
major) 		PF16531
(SAS-6_N) 		5 TYR A 196
PHE A 209
VAL A 173
ILE A 263
PHE A 199
 None
 1.40A 4dz2A-4ckmA:
undetectable
4dz2B-4ckmA:
undetectable		 4dz2A-4ckmA:
20.00
4dz2B-4ckmA:
20.00
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
 0.55A 4dz2A-4dipA:
17.5
4dz2B-4dipA:
17.5		 4dz2A-4dipA:
41.18
4dz2B-4dipA:
41.18
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)
 0.51A 4dz2A-4dz3A:
25.0
4dz2B-4dz3A:
25.0		 4dz2A-4dz3A:
98.23
4dz2B-4dz3A:
98.23
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.
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
 1.29A 4dz2A-4h09A:
undetectable
4dz2B-4h09A:
undetectable		 4dz2A-4h09A:
17.57
4dz2B-4h09A:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  26
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TYR A  82
PHE A  99
 None
 0.85A 4dz2A-4iqcA:
18.5
4dz2B-4iqcA:
18.5		 4dz2A-4iqcA:
50.00
4dz2B-4iqcA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  26
ASP A  37
ARG A  42
ILE A  56
TYR A  82
PHE A  99
 None
 0.72A 4dz2A-4iqcA:
18.5
4dz2B-4iqcA:
18.5		 4dz2A-4iqcA:
50.00
4dz2B-4iqcA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  26
ASP A  37
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.64A 4dz2A-4iqcA:
18.5
4dz2B-4iqcA:
18.5		 4dz2A-4iqcA:
50.00
4dz2B-4iqcA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  26
PHE A  46
VAL A  55
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.70A 4dz2A-4iqcA:
18.5
4dz2B-4iqcA:
18.5		 4dz2A-4iqcA:
50.00
4dz2B-4iqcA:
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.
4iyk UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF12866
(DUF3823) 		5 VAL A 111
ILE A  30
TYR A  76
ILE A  53
PHE A 103
 None
 1.38A 4dz2A-4iykA:
undetectable
4dz2B-4iykA:
undetectable		 4dz2A-4iykA:
21.83
4dz2B-4iykA:
21.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.87A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.68A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.53A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
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
 0.52A 4dz2A-4mspA:
18.2
4dz2B-4mspA:
18.2		 4dz2A-4mspA:
35.42
4dz2B-4mspA:
35.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nnr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2

(Homo sapiens) 		PF00254
(FKBP_C) 		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)
 0.23A 4dz2A-4nnrA:
16.3
4dz2B-4nnrA:
16.4		 4dz2A-4nnrA:
44.78
4dz2B-4nnrA:
44.78
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.
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
 0.52A 4dz2A-4odmA:
11.5
4dz2B-4odmA:
11.5		 4dz2A-4odmA:
22.15
4dz2B-4odmA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4odr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA

(Homo sapiens;
Thermus
thermophilus) 		PF00254
(FKBP_C) 		6 TYR A  13
ASP A  23
ILE A  37
TYR A  63
ILE A  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)
 0.44A 4dz2A-4odrA:
13.2
4dz2B-4odrA:
13.2		 4dz2A-4odrA:
25.71
4dz2B-4odrA:
25.71
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.
4psw HISTONE
ACETYLTRANSFERASE
TYPE B CATALYTIC
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1)
PF10394
(Hat1_N) 		5 VAL A  24
ILE A  23
TYR A 226
ILE A 188
PHE A  63
 None
 1.20A 4dz2A-4pswA:
undetectable
4dz2B-4pswA:
undetectable		 4dz2A-4pswA:
16.88
4dz2B-4pswA:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		6 PHE A  79
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 1.45A 4dz2A-4r0xA:
19.8
4dz2B-4r0xA:
19.8		 4dz2A-4r0xA:
45.83
4dz2B-4r0xA:
45.83
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) 		9 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.86A 4dz2A-4r0xA:
19.8
4dz2B-4r0xA:
19.8		 4dz2A-4r0xA:
45.83
4dz2B-4r0xA:
45.83
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
 0.72A 4dz2A-4r0xA:
19.8
4dz2B-4r0xA:
19.8		 4dz2A-4r0xA:
45.83
4dz2B-4r0xA:
45.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txw HYALURONOGLUCOSAMINI
DASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 TYR A   7
VAL A 145
ILE A 146
TYR A  52
ILE A  67
 None
 1.40A 4dz2A-4txwA:
undetectable
4dz2B-4txwA:
undetectable		 4dz2A-4txwA:
22.49
4dz2B-4txwA:
22.49
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		5 MET A 231
PHE A 179
VAL A 224
ILE A 155
PHE A 170
 None
 1.40A 4dz2A-4u0tA:
undetectable
4dz2B-4u0tA:
undetectable		 4dz2A-4u0tA:
16.71
4dz2B-4u0tA:
16.71
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.
4z7l CAS6B

(Methanococcus
maripaludis) 		PF17262
(DUF5328) 		5 TYR A  31
ILE A  63
TYR A  10
ILE A  94
PHE A  27
 None
 1.29A 4dz2A-4z7lA:
undetectable
4dz2B-4z7lA:
undetectable		 4dz2A-4z7lA:
18.83
4dz2B-4z7lA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 4dz2A-4zmhA:
undetectable
4dz2B-4zmhA:
undetectable		 4dz2A-4zmhA:
8.63
4dz2B-4zmhA:
8.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 5 PHE A1576
VAL A1561
ILE A1547
TYR A1549
ILE A1611
 None
 1.26A 4dz2A-5b2oA:
undetectable
4dz2B-5b2oA:
undetectable		 4dz2A-5b2oA:
5.48
4dz2B-5b2oA:
5.48
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)
 0.72A 4dz2A-5b8iC:
17.8
4dz2B-5b8iC:
17.8		 4dz2A-5b8iC:
39.68
4dz2B-5b8iC:
39.68
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
 0.66A 4dz2A-5i7pA:
16.9
4dz2B-5i7pA:
16.9		 4dz2A-5i7pA:
35.62
4dz2B-5i7pA:
35.62
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
 0.71A 4dz2A-5i7qA:
17.2
4dz2B-5i7qA:
17.3		 4dz2A-5i7qA:
39.75
4dz2B-5i7qA:
39.75
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
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
 0.76A 4dz2A-5i98A:
18.1
4dz2B-5i98A:
18.1		 4dz2A-5i98A:
47.06
4dz2B-5i98A:
47.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		7 TYR A  30
ARG A  46
PHE A  50
VAL A  59
ILE A  60
TYR A  97
ILE A 102
 None
 1.44A 4dz2A-5i98A:
18.1
4dz2B-5i98A:
18.1		 4dz2A-5i98A:
47.06
4dz2B-5i98A:
47.06
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
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 106
PHE A 114
 None
 0.49A 4dz2A-5i98A:
18.1
4dz2B-5i98A:
18.1		 4dz2A-5i98A:
47.06
4dz2B-5i98A:
47.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		7 TYR A  30
ASP A  41
PHE A  50
VAL A  59
ILE A  60
TYR A  97
ILE A 102
 None
 1.42A 4dz2A-5i98A:
18.1
4dz2B-5i98A:
18.1		 4dz2A-5i98A:
47.06
4dz2B-5i98A:
47.06
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
 0.71A 4dz2A-5j6eA:
19.1
4dz2B-5j6eA:
19.2		 4dz2A-5j6eA:
52.63
4dz2B-5j6eA:
52.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4dz2A-5jcvA:
undetectable
4dz2B-5jcvA:
undetectable		 4dz2A-5jcvA:
18.58
4dz2B-5jcvA:
18.58
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		5 ASP B 213
VAL B 195
ILE B 198
TYR B  88
ILE B  85
 EDO  B 616 ( 2.8A)
None
None
None
None
 1.28A 4dz2A-5m99B:
undetectable
4dz2B-5m99B:
undetectable		 4dz2A-5m99B:
12.67
4dz2B-5m99B:
12.67
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.
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
 1.11A 4dz2A-5mszA:
undetectable
4dz2B-5mszA:
undetectable		 4dz2A-5mszA:
18.58
4dz2B-5mszA:
18.58
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.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 5 MET A 292
ARG A 233
VAL A 267
ILE A 272
ILE A 222
 None
 0.81A 4dz2A-5o8xA:
undetectable
4dz2B-5o8xA:
undetectable		 4dz2A-5o8xA:
19.47
4dz2B-5o8xA:
19.47
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		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)
 0.63A 4dz2A-5v8tA:
24.3
4dz2B-5v8tA:
24.3		 4dz2A-5v8tA:
21.85
4dz2B-5v8tA:
21.85
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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 TYR A 424
ASP A 110
VAL A 307
ILE A 310
PHE A 375
 None
 1.40A 4dz2A-5vf3A:
undetectable
4dz2B-5vf3A:
undetectable		 4dz2A-5vf3A:
12.90
4dz2B-5vf3A:
12.90
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		5 TYR A 469
ASP A 444
ARG A 401
VAL A 458
ILE A 480
 None
 1.39A 4dz2A-5x59A:
undetectable
4dz2B-5x59A:
undetectable		 4dz2A-5x59A:
6.77
4dz2B-5x59A:
6.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		6 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
 1.12A 4dz2A-5xb0A:
16.6
4dz2B-5xb0A:
16.6		 4dz2A-5xb0A:
37.50
4dz2B-5xb0A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		8 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.67A 4dz2A-5xb0A:
16.6
4dz2B-5xb0A:
16.6		 4dz2A-5xb0A:
37.50
4dz2B-5xb0A:
37.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 4dz2A-5z0yA:
undetectable
4dz2B-5z0yA:
undetectable		 4dz2A-5z0yA:
19.64
4dz2B-5z0yA:
19.64
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
 0.74A 4dz2A-6b4pA:
19.9
4dz2B-6b4pA:
19.9		 4dz2A-6b4pA:
49.57
4dz2B-6b4pA:
49.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 TYR A 344
ASP A  84
ARG A 355
VAL A 402
ILE A 406
 None
 1.37A 4dz2A-6bszA:
undetectable
4dz2B-6bszA:
undetectable		 4dz2A-6bszA:
17.70
4dz2B-6bszA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6du8 -

(-) 		no annotation 5 TYR A 366
PHE A 362
VAL A 109
ILE A 108
ILE A 453
 None
 1.38A 4dz2A-6du8A:
undetectable
4dz2B-6du8A:
undetectable		 4dz2A-6du8A:
undetectable
4dz2B-6du8A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ez4 RNA POLYMERASE
II-ASSOCIATED
PROTEIN 3

(Homo sapiens) 		no annotation 5 VAL A 595
ILE A 594
TYR A 578
ILE A 573
PHE A 556
 None
 1.40A 4dz2A-6ez4A:
undetectable
4dz2B-6ez4A:
undetectable		 4dz2A-6ez4A:
14.78
4dz2B-6ez4A:
14.78
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.
6h20 -

(-) 		no annotation 5 ASP A 129
ARG A 297
VAL A 160
ILE A 158
ILE A  88
 None
 1.31A 4dz2A-6h20A:
undetectable
4dz2B-6h20A:
undetectable		 4dz2A-6h20A:
undetectable
4dz2B-6h20A:
undetectable