SIMILAR PATTERNS OF AMINO ACIDS FOR 4NNR_A_FK5A201

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
 1.34A 4nnrA-1eomA:
undetectable
4nnrB-1eomA:
undetectable		 4nnrA-1eomA:
17.18
4nnrB-1eomA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 PHE A 153
ILE A 159
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 1.11A 4nnrA-1fd9A:
13.2
4nnrB-1fd9A:
13.2		 4nnrA-1fd9A:
25.81
4nnrB-1fd9A:
25.81
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.
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
 0.59A 4nnrA-1fd9A:
13.2
4nnrB-1fd9A:
13.2		 4nnrA-1fd9A:
25.81
4nnrB-1fd9A:
25.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fkk FK506 BINDING
PROTEIN

(Bos taurus) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 None
 0.52A 4nnrA-1fkkA:
16.2
4nnrB-1fkkA:
16.2		 4nnrA-1fkkA:
39.42
4nnrB-1fkkA:
39.42
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.
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
 1.31A 4nnrA-1hxjA:
undetectable
4nnrB-1hxjA:
undetectable		 4nnrA-1hxjA:
14.00
4nnrB-1hxjA:
14.00
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.
1i4s RIBONUCLEASE III

(Aquifex
aeolicus) 		PF14622
(Ribonucleas_3_3) 		5 ASP A 138
PHE A 109
VAL A  47
ILE A  51
PHE A  79
 None
 1.39A 4nnrA-1i4sA:
undetectable
4nnrB-1i4sA:
undetectable		 4nnrA-1i4sA:
20.65
4nnrB-1i4sA:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		6 PHE A 114
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.99A 4nnrA-1jvwA:
12.6
4nnrB-1jvwA:
12.4		 4nnrA-1jvwA:
32.12
4nnrB-1jvwA:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		7 TYR A  92
ASP A 103
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.64A 4nnrA-1jvwA:
12.6
4nnrB-1jvwA:
12.4		 4nnrA-1jvwA:
32.12
4nnrB-1jvwA:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		7 TYR A  92
VAL A 119
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.44A 4nnrA-1jvwA:
12.6
4nnrB-1jvwA:
12.4		 4nnrA-1jvwA:
32.12
4nnrB-1jvwA:
32.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 PHE A  77
VAL A  86
ILE A  87
TRP A  90
LYS A 121
 None
 1.13A 4nnrA-1kt1A:
12.1
4nnrB-1kt1A:
12.2		 4nnrA-1kt1A:
28.74
4nnrB-1kt1A:
28.74
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 PHE A  77
VAL A  86
TRP A  90
LYS A 121
ILE A 122
 None
 0.94A 4nnrA-1kt1A:
12.1
4nnrB-1kt1A:
12.2		 4nnrA-1kt1A:
28.74
4nnrB-1kt1A:
28.74
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.
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 4nnrA-1kt1A:
12.1
4nnrB-1kt1A:
12.2		 4nnrA-1kt1A:
28.74
4nnrB-1kt1A:
28.74
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
 None
 1.49A 4nnrA-1kt1A:
12.1
4nnrB-1kt1A:
12.2		 4nnrA-1kt1A:
28.74
4nnrB-1kt1A:
28.74
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.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 TYR A 262
ASP A 266
PHE A 236
TRP A 255
PHE A 268
 None
 1.23A 4nnrA-1l6jA:
undetectable
4nnrB-1l6jA:
undetectable		 4nnrA-1l6jA:
14.94
4nnrB-1l6jA:
14.94
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) 		6 ASP A  68
PHE A  77
TRP A  90
TYR A 113
LYS A 121
ILE A 122
 None
 0.76A 4nnrA-1n1aA:
15.0
4nnrB-1n1aA:
15.0		 4nnrA-1n1aA:
41.67
4nnrB-1n1aA:
41.67
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 4nnrA-1n1aA:
15.0
4nnrB-1n1aA:
15.0		 4nnrA-1n1aA:
41.67
4nnrB-1n1aA:
41.67
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
 0.27A 4nnrA-1pbkA:
15.6
4nnrB-1pbkA:
15.6		 4nnrA-1pbkA:
38.62
4nnrB-1pbkA:
38.62
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.
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
 1.30A 4nnrA-1q6hA:
13.4
4nnrB-1q6hA:
13.6		 4nnrA-1q6hA:
27.31
4nnrB-1q6hA:
27.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		8 TYR A 146
ASP A 157
VAL A 173
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 0.57A 4nnrA-1q6hA:
13.4
4nnrB-1q6hA:
13.6		 4nnrA-1q6hA:
27.31
4nnrB-1q6hA:
27.31
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) 		9 TYR A  40
ASP A  51
PHE A  60
VAL A  69
ILE A  70
TRP A  73
TYR A  96
ILE A 105
PHE A 113
 None
 0.65A 4nnrA-1r9hA:
16.1
4nnrB-1r9hA:
16.2		 4nnrA-1r9hA:
42.00
4nnrB-1r9hA:
42.00
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.
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
 1.32A 4nnrA-1rc7A:
undetectable
4nnrB-1rc7A:
undetectable		 4nnrA-1rc7A:
22.12
4nnrB-1rc7A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 4nnrA-1ry2A:
undetectable
4nnrB-1ry2A:
undetectable		 4nnrA-1ry2A:
12.82
4nnrB-1ry2A:
12.82
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
 0.45A 4nnrA-1u79A:
14.6
4nnrB-1u79A:
14.6		 4nnrA-1u79A:
37.33
4nnrB-1u79A:
37.33
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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		5 TYR A 151
PHE A 153
VAL A 355
TYR A 429
PRO A  16
 None
 1.35A 4nnrA-1v4gA:
undetectable
4nnrB-1v4gA:
undetectable		 4nnrA-1v4gA:
14.59
4nnrB-1v4gA:
14.59
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 ASP C 741
VAL C 722
ILE C 725
ILE C 698
PRO C 685
 None
 1.08A 4nnrA-1wa5C:
undetectable
4nnrB-1wa5C:
undetectable		 4nnrA-1wa5C:
9.23
4nnrB-1wa5C:
9.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yat FK506 BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
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 ( 4.0A)
FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 3.6A)
FK5  A 108 ( 4.7A)
None
None
 0.18A 4nnrA-1yatA:
16.6
4nnrB-1yatA:
16.7		 4nnrA-1yatA:
40.30
4nnrB-1yatA:
40.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l5o PUTATIVE THIOREDOXIN

(Neisseria
meningitidis) 		PF08534
(Redoxin) 		5 ASP A   1
VAL A  64
ILE A  30
ILE A 116
PRO A 105
 None
 1.34A 4nnrA-2l5oA:
undetectable
4nnrB-2l5oA:
undetectable		 4nnrA-2l5oA:
23.03
4nnrB-2l5oA:
23.03
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
 1.05A 4nnrA-2lpvA:
13.2
4nnrB-2lpvA:
13.2		 4nnrA-2lpvA:
39.01
4nnrB-2lpvA:
39.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2lpv FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Aedes aegypti) 		PF00254
(FKBP_C) 		5 TYR A  27
VAL A  56
ILE A  57
TRP A  60
ILE A  92
 None
 0.99A 4nnrA-2lpvA:
13.2
4nnrB-2lpvA:
13.2		 4nnrA-2lpvA:
39.01
4nnrB-2lpvA:
39.01
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
 0.70A 4nnrA-2pbcA:
18.7
4nnrB-2pbcA:
18.9		 4nnrA-2pbcA:
71.13
4nnrB-2pbcA:
71.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.74A 4nnrA-2vcdA:
10.6
4nnrB-2vcdA:
10.7		 4nnrA-2vcdA:
30.00
4nnrB-2vcdA:
30.00
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.
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 4nnrA-2vcdA:
10.6
4nnrB-2vcdA:
10.7		 4nnrA-2vcdA:
30.00
4nnrB-2vcdA:
30.00
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.
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)
 0.62A 4nnrA-2vcdA:
10.6
4nnrB-2vcdA:
10.7		 4nnrA-2vcdA:
30.00
4nnrB-2vcdA:
30.00
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) 		9 TYR A  44
ASP A  56
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 (-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)
 0.26A 4nnrA-2vn1A:
16.1
4nnrB-2vn1A:
16.0		 4nnrA-2vn1A:
38.03
4nnrB-2vn1A:
38.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y78 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		8 TYR A  33
ASP A  44
PHE A  53
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.68A 4nnrA-2y78A:
15.6
4nnrB-2y78A:
15.7		 4nnrA-2y78A:
44.29
4nnrB-2y78A:
44.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y78 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		8 TYR A  33
ASP A  44
PHE A  53
TRP A  66
TYR A  89
ARG A  92
ILE A  98
PHE A 106
 None
 1.20A 4nnrA-2y78A:
15.6
4nnrB-2y78A:
15.7		 4nnrA-2y78A:
44.29
4nnrB-2y78A:
44.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y78 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		8 TYR A  33
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.46A 4nnrA-2y78A:
15.6
4nnrB-2y78A:
15.7		 4nnrA-2y78A:
44.29
4nnrB-2y78A:
44.29
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.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		5 VAL A 137
ARG A 195
ILE A 192
PHE A 185
PRO A 114
 None
 1.23A 4nnrA-2ywrA:
undetectable
4nnrB-2ywrA:
undetectable		 4nnrA-2ywrA:
22.22
4nnrB-2ywrA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwi ALPHA-/BETA-GALACTOS
IDE
ALPHA-2,3-SIALYLTRAN
SFERASE

(Photobacterium
phosphoreum) 		PF11477
(PM0188) 		5 TYR A 251
PHE A 250
ILE A 339
LYS A 262
ILE A 261
 None
 1.10A 4nnrA-2zwiA:
undetectable
4nnrB-2zwiA:
undetectable		 4nnrA-2zwiA:
16.03
4nnrB-2zwiA:
16.03
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.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF03480
(DctP) 		5 ASP A 312
ILE A 160
ILE A 245
PHE A 172
PRO A 220
 None
 1.17A 4nnrA-2zzwA:
undetectable
4nnrB-2zzwA:
undetectable		 4nnrA-2zzwA:
18.78
4nnrB-2zzwA:
18.78
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 ASP A 883
VAL A 877
ILE A 878
LYS A 948
ILE A 950
 None
 1.32A 4nnrA-3aibA:
undetectable
4nnrB-3aibA:
undetectable		 4nnrA-3aibA:
10.51
4nnrB-3aibA:
10.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b7x FK506-BINDING
PROTEIN 6

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  61
ASP A  73
TYR A 118
ILE A 127
PHE A 135
 None
 0.97A 4nnrA-3b7xA:
11.5
4nnrB-3b7xA:
11.6		 4nnrA-3b7xA:
31.79
4nnrB-3b7xA:
31.79
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.
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
 1.32A 4nnrA-3i9fA:
undetectable
4nnrB-3i9fA:
undetectable		 4nnrA-3i9fA:
23.08
4nnrB-3i9fA:
23.08
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.
3m7f E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Mus musculus) 		PF00168
(C2) 		5 PHE B 229
VAL B 208
ILE B 187
ILE B 176
PRO B 182
 None
 1.11A 4nnrA-3m7fB:
2.6
4nnrB-3m7fB:
2.7		 4nnrA-3m7fB:
20.99
4nnrB-3m7fB:
20.99
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		5 TYR A  82
PHE A  88
VAL A  64
ILE A  62
TRP A  40
 None
 1.39A 4nnrA-3n11A:
undetectable
4nnrB-3n11A:
undetectable		 4nnrA-3n11A:
17.52
4nnrB-3n11A:
17.52
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.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		5 PHE A  77
TRP A  90
TYR A 113
LYS A 121
ILE A 122
 None
 0.92A 4nnrA-3o5dA:
15.3
4nnrB-3o5dA:
15.3		 4nnrA-3o5dA:
27.94
4nnrB-3o5dA:
27.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 4nnrA-3o5dA:
15.3
4nnrB-3o5dA:
15.3		 4nnrA-3o5dA:
27.94
4nnrB-3o5dA:
27.94
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 PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
LYS A 121
ILE A 122
PHE A 130
 None
 0.79A 4nnrA-3o5eA:
15.5
4nnrB-3o5eA:
15.6		 4nnrA-3o5eA:
43.84
4nnrB-3o5eA:
43.84
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
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
 0.80A 4nnrA-3o5eA:
15.5
4nnrB-3o5eA:
15.6		 4nnrA-3o5eA:
43.84
4nnrB-3o5eA:
43.84
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
 0.78A 4nnrA-3o5eA:
15.5
4nnrB-3o5eA:
15.6		 4nnrA-3o5eA:
43.84
4nnrB-3o5eA:
43.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 PHE A 679
VAL A 599
ILE A 598
ILE A 882
PRO A 720
 None
 1.26A 4nnrA-3o8oA:
undetectable
4nnrB-3o8oA:
undetectable		 4nnrA-3o8oA:
11.92
4nnrB-3o8oA:
11.92
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) 		9 TYR A  43
ASP A  55
PHE A  64
VAL A  73
ILE A  74
TRP A  77
TYR A 100
ILE A 109
PHE A 117
 None
 0.64A 4nnrA-3pa7A:
15.4
4nnrB-3pa7A:
15.3		 4nnrA-3pa7A:
39.44
4nnrB-3pa7A:
39.44
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 TYR A 421
ASP A 419
VAL A 438
ILE A 428
PRO A 433
 None
 1.19A 4nnrA-3qfkA:
undetectable
4nnrB-3qfkA:
undetectable		 4nnrA-3qfkA:
13.85
4nnrB-3qfkA:
13.85
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.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PHE A  12
VAL A 100
ARG A 152
ILE A  35
PRO A  40
 None
None
None
None
GOL  A 223 (-4.3A)
 1.23A 4nnrA-3tb2A:
undetectable
4nnrB-3tb2A:
undetectable		 4nnrA-3tb2A:
21.82
4nnrB-3tb2A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4nnrA-3um6A:
undetectable
4nnrB-3um6A:
undetectable		 4nnrA-3um6A:
12.15
4nnrB-3um6A:
12.15
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
 0.80A 4nnrA-4bf8A:
13.6
4nnrB-4bf8A:
13.7		 4nnrA-4bf8A:
35.00
4nnrB-4bf8A:
35.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		5 TYR A 313
ASP A 324
PHE A 332
TRP A 345
PHE A 384
 None
 1.04A 4nnrA-4bf8A:
13.6
4nnrB-4bf8A:
13.7		 4nnrA-4bf8A:
35.00
4nnrB-4bf8A:
35.00
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
 0.81A 4nnrA-4bf8A:
13.6
4nnrB-4bf8A:
13.7		 4nnrA-4bf8A:
35.00
4nnrB-4bf8A:
35.00
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.
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
 1.37A 4nnrA-4ckmA:
undetectable
4nnrB-4ckmA:
undetectable		 4nnrA-4ckmA:
22.10
4nnrB-4ckmA:
22.10
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.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 PHE A 305
VAL A 263
ILE A 262
LYS A 206
ILE A 210
 None
 1.30A 4nnrA-4dg5A:
undetectable
4nnrB-4dg5A:
undetectable		 4nnrA-4dg5A:
17.12
4nnrB-4dg5A:
17.12
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
 0.57A 4nnrA-4dipA:
16.7
4nnrB-4dipA:
16.5		 4nnrA-4dipA:
40.69
4nnrB-4dipA:
40.69
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) 		9 TYR A  33
ASP A  44
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 (-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)
 0.19A 4nnrA-4dz3A:
16.6
4nnrB-4dz3A:
16.7		 4nnrA-4dz3A:
45.52
4nnrB-4dz3A:
45.52
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
 1.26A 4nnrA-4h09A:
undetectable
4nnrB-4h09A:
undetectable		 4nnrA-4h09A:
18.13
4nnrB-4h09A:
18.13
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 PHE A  46
VAL A  55
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.67A 4nnrA-4iqcA:
15.8
4nnrB-4iqcA:
15.7		 4nnrA-4iqcA:
35.77
4nnrB-4iqcA:
35.77
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
 0.76A 4nnrA-4iqcA:
15.8
4nnrB-4iqcA:
15.7		 4nnrA-4iqcA:
35.77
4nnrB-4iqcA:
35.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  26
PHE A  46
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.77A 4nnrA-4iqcA:
15.8
4nnrB-4iqcA:
15.7		 4nnrA-4iqcA:
35.77
4nnrB-4iqcA:
35.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6l CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B HOMOLOG

(Salmonella
enterica) 		PF03372
(Exo_endo_phos) 		5 PHE F 180
VAL F 155
ILE F 149
ARG F  79
ILE F  90
 None
 1.35A 4nnrA-4k6lF:
undetectable
4nnrB-4k6lF:
undetectable		 4nnrA-4k6lF:
18.82
4nnrB-4k6lF:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ASP A  29
VAL A  33
ILE A   8
ILE A 333
PRO A  86
 None
 1.17A 4nnrA-4k9dA:
undetectable
4nnrB-4k9dA:
undetectable		 4nnrA-4k9dA:
18.15
4nnrB-4k9dA:
18.15
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)
 0.65A 4nnrA-4lawA:
15.8
4nnrB-4lawA:
15.8		 4nnrA-4lawA:
32.62
4nnrB-4lawA:
32.62
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)
 0.51A 4nnrA-4lawA:
15.8
4nnrB-4lawA:
15.8		 4nnrA-4lawA:
32.62
4nnrB-4lawA:
32.62
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) 		6 TYR A  33
TRP A  69
TYR A  92
LYS A  99
ILE A 100
PHE A 108
 None
 0.84A 4nnrA-4mspA:
17.1
4nnrB-4mspA:
16.8		 4nnrA-4mspA:
32.51
4nnrB-4mspA:
32.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4nnrA-4odmA:
13.1
4nnrB-4odmA:
13.2		 4nnrA-4odmA:
21.29
4nnrB-4odmA:
21.29
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

(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)
 0.36A 4nnrA-4odrA:
15.1
4nnrB-4odrA:
15.2		 4nnrA-4odrA:
28.47
4nnrB-4odrA:
28.47
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
 0.84A 4nnrA-4r0xA:
15.8
4nnrB-4r0xA:
15.9		 4nnrA-4r0xA:
40.85
4nnrB-4r0xA:
40.85
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
 0.68A 4nnrA-4r0xA:
15.8
4nnrB-4r0xA:
15.9		 4nnrA-4r0xA:
40.85
4nnrB-4r0xA:
40.85
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.
4z9n AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF00497
(SBP_bac_3) 		5 VAL A 195
ILE A 196
TYR A 182
ILE A 301
PRO A 191
 None
 1.13A 4nnrA-4z9nA:
undetectable
4nnrB-4z9nA:
undetectable		 4nnrA-4z9nA:
20.12
4nnrB-4z9nA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 TYR A 626
PHE A 629
ILE A 719
ILE A 655
PRO A  79
 None
 1.30A 4nnrA-4zr5A:
undetectable
4nnrB-4zr5A:
undetectable		 4nnrA-4zr5A:
11.94
4nnrB-4zr5A:
11.94
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.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 5 PHE A1576
VAL A1561
ILE A1547
TYR A1549
ILE A1611
 None
 1.20A 4nnrA-5b2oA:
undetectable
4nnrB-5b2oA:
undetectable		 4nnrA-5b2oA:
6.44
4nnrB-5b2oA:
6.44
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) 		9 TYR C  36
ASP C  56
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 (-3.5A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.4A)
FK5  C 201 (-4.5A)
None
FK5  C 201 (-4.7A)
 0.34A 4nnrA-5b8iC:
15.6
4nnrB-5b8iC:
15.7		 4nnrA-5b8iC:
36.00
4nnrB-5b8iC:
36.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5crj TRANSCRIPTION
TERMINATION FACTOR
1, MITOCHONDRIAL

(Homo sapiens) 		PF02536
(mTERF) 		5 TYR O 317
ILE O 296
LYS O 331
ILE O 332
PHE O 313
 None
 1.15A 4nnrA-5crjO:
undetectable
4nnrB-5crjO:
undetectable		 4nnrA-5crjO:
17.13
4nnrB-5crjO:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		5 ASP A 123
VAL A 175
ILE A 178
PHE A 279
PRO A 171
 CO  A 406 (-2.2A)
None
None
None
None
 1.32A 4nnrA-5esrA:
undetectable
4nnrB-5esrA:
undetectable		 4nnrA-5esrA:
18.33
4nnrB-5esrA:
18.33
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) 		8 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 146
 None
 0.55A 4nnrA-5i7pA:
14.4
4nnrB-5i7pA:
14.4		 4nnrA-5i7pA:
30.16
4nnrB-5i7pA:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i7q PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE 16
KDA PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE,PEPTIDYL-P
ROLYL CIS-TRANS
ISOMERASE FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 147
 None
 0.59A 4nnrA-5i7qA:
14.7
4nnrB-5i7qA:
14.7		 4nnrA-5i7qA:
31.05
4nnrB-5i7qA:
31.05
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 ASP A  41
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 102
 None
 1.40A 4nnrA-5i98A:
15.4
4nnrB-5i98A:
15.4		 4nnrA-5i98A:
36.49
4nnrB-5i98A:
36.49
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
 0.55A 4nnrA-5i98A:
15.4
4nnrB-5i98A:
15.4		 4nnrA-5i98A:
36.49
4nnrB-5i98A:
36.49
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) 		9 TYR A  27
ASP A  38
PHE A  47
VAL A  56
ILE A  57
TRP A  60
TYR A  83
ILE A  92
PHE A 100
 None
 0.58A 4nnrA-5j6eA:
16.2
4nnrB-5j6eA:
16.2		 4nnrA-5j6eA:
42.14
4nnrB-5j6eA:
42.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jcv LMO2181 PROTEIN

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 ASP A 125
VAL A  75
ILE A  89
TYR A 161
ILE A 221
 None
 1.03A 4nnrA-5jcvA:
undetectable
4nnrB-5jcvA:
undetectable		 4nnrA-5jcvA:
17.44
4nnrB-5jcvA:
17.44
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.
5lzk PROTEIN FAM83B

(Homo sapiens) 		PF07894
(DUF1669) 		5 VAL A 167
ILE A 166
LYS A 136
ILE A 139
PHE A 157
 None
None
None
EDO  A 307 ( 4.9A)
None
 0.83A 4nnrA-5lzkA:
undetectable
4nnrB-5lzkA:
undetectable		 4nnrA-5lzkA:
21.11
4nnrB-5lzkA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 4nnrA-5m99B:
undetectable
4nnrB-5m99B:
undetectable		 4nnrA-5m99B:
14.80
4nnrB-5m99B:
14.80
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.
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
 1.12A 4nnrA-5mszA:
undetectable
4nnrB-5mszA:
undetectable		 4nnrA-5mszA:
15.87
4nnrB-5mszA:
15.87
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.
5nbo GLYCOSYL HYDROLASE
FAMILY 16

(Bacteroides
ovatus) 		no annotation 5 VAL A  81
ILE A 265
LYS A  51
ILE A  98
PRO A 118
 None
 1.35A 4nnrA-5nboA:
undetectable
4nnrB-5nboA:
undetectable		 4nnrA-5nboA:
18.01
4nnrB-5nboA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 9 TYR A  33
ASP A  44
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 (-3.9A)
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)
 0.26A 4nnrA-5v8tA:
16.2
4nnrB-5v8tA:
16.3		 4nnrA-5v8tA:
17.86
4nnrB-5v8tA:
17.86
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.
5vdk WEE1-LIKE PROTEIN
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 319
TYR A 376
LYS A 350
ILE A 347
PHE A 311
 None
 1.07A 4nnrA-5vdkA:
undetectable
4nnrB-5vdkA:
undetectable		 4nnrA-5vdkA:
19.73
4nnrB-5vdkA:
19.73
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
 1.11A 4nnrA-5xb0A:
12.1
4nnrB-5xb0A:
12.4		 4nnrA-5xb0A:
34.23
4nnrB-5xb0A:
34.23
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
 0.69A 4nnrA-5xb0A:
12.1
4nnrB-5xb0A:
12.4		 4nnrA-5xb0A:
34.23
4nnrB-5xb0A:
34.23
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.
5xcy GLUCANASE

(Phanerochaete
chrysosporium) 		PF01341
(Glyco_hydro_6) 		5 TYR A 190
PHE A 180
VAL A 133
ILE A 136
ILE A 161
 None
 1.29A 4nnrA-5xcyA:
undetectable
4nnrB-5xcyA:
undetectable		 4nnrA-5xcyA:
15.04
4nnrB-5xcyA:
15.04
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.
5xhw PUTATIVE
6-DEOXY-D-MANNOHEPTO
SE PATHWAY PROTEIN

(Yersinia
pseudotuberculosis) 		no annotation 5 TYR A 207
VAL A 132
ILE A 165
TYR A 140
ILE A 213
 None
 1.38A 4nnrA-5xhwA:
undetectable
4nnrB-5xhwA:
undetectable		 4nnrA-5xhwA:
21.32
4nnrB-5xhwA:
21.32
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.
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
 1.32A 4nnrA-5z0yA:
undetectable
4nnrB-5z0yA:
undetectable		 4nnrA-5z0yA:
22.38
4nnrB-5z0yA:
22.38
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 9 TYR A  38
ASP A  49
PHE A  58
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A 103
PHE A 111
 None
 0.58A 4nnrA-6b4pA:
15.3
4nnrB-6b4pA:
15.4		 4nnrA-6b4pA:
40.15
4nnrB-6b4pA:
40.15