SIMILAR PATTERNS OF AMINO ACIDS FOR 2VN1_A_FK5A501

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 PHE A 141
PHE A 153
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 1.18A 2vn1A-1fd9A:
17.4		 2vn1A-1fd9A:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 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
PHE A 141
ASP A 142
VAL A 158
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 0.75A 2vn1A-1fd9A:
17.4		 2vn1A-1fd9A:
24.07
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
PHE A  36
ASP A  37
ARG A  42
PHE A  46
VAL A  55
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 None
 0.60A 2vn1A-1fkkA:
19.4		 2vn1A-1fkkA:
41.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 2vn1A-1hxjA:
undetectable		 2vn1A-1hxjA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		6 PHE A 102
PHE A 114
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 1.09A 2vn1A-1jvwA:
15.8		 2vn1A-1jvwA:
28.32
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.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		8 TYR A  92
PHE A 102
ARG A 108
VAL A 119
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.63A 2vn1A-1jvwA:
15.8		 2vn1A-1jvwA:
28.32
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.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		8 TYR A  92
PHE A 102
ASP A 103
ARG A 108
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.78A 2vn1A-1jvwA:
15.8		 2vn1A-1jvwA:
28.32
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.
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
 1.47A 2vn1A-1kt1A:
17.6		 2vn1A-1kt1A:
17.75
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.
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
PHE A 130
 None
 0.75A 2vn1A-1kt1A:
17.6		 2vn1A-1kt1A:
17.75
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
PHE A  67
ASP A  68
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.62A 2vn1A-1n1aA:
20.8		 2vn1A-1n1aA:
39.31
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
PHE A 145
ASP A 146
VAL A 171
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.36A 2vn1A-1pbkA:
18.1		 2vn1A-1pbkA:
35.82
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 PHE A 156
PHE A 168
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 1.36A 2vn1A-1q6hA:
16.7		 2vn1A-1q6hA:
23.25
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		9 TYR A 146
PHE A 156
ASP A 157
ARG A 162
VAL A 173
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 0.66A 2vn1A-1q6hA:
16.7		 2vn1A-1q6hA:
23.25
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
PHE A  50
ASP A  51
ARG A  56
PHE A  60
VAL A  69
TRP A  73
TYR A  96
ILE A 105
PHE A 113
 None
 0.77A 2vn1A-1r9hA:
22.0		 2vn1A-1r9hA:
44.37
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
PHE A  47
ASP A  48
VAL A  66
TRP A  70
TYR A  99
ILE A 113
PHE A 121
 None
 0.64A 2vn1A-1u79A:
18.5		 2vn1A-1u79A:
41.01
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.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 PHE B 199
ARG B 205
TYR B  26
ILE B 195
PHE B  35
 None
 1.38A 2vn1A-1wdwB:
undetectable		 2vn1A-1wdwB:
16.58
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.
1x3w PEPTIDE:N-GLYCANASE

(Saccharomyces
cerevisiae) 		PF03835
(Rad4) 		5 ASP A 242
ARG A 230
VAL A 212
TYR A 247
ILE A 246
 None
None
None
None
SUC  A1002 (-4.5A)
 1.38A 2vn1A-1x3wA:
undetectable		 2vn1A-1x3wA:
18.15
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
PHE A  36
ASP A  37
ARG A  42
PHE A  46
VAL A  55
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 4.8A)
FK5  A 108 ( 3.3A)
FK5  A 108 (-3.7A)
FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.6A)
FK5  A 108 ( 4.7A)
None
None
 0.29A 2vn1A-1yatA:
20.8		 2vn1A-1yatA:
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.
2gh4 PUTATIVE GLYCOSYL
HYDROLASE YTER

(Bacillus
subtilis) 		PF07470
(Glyco_hydro_88) 		5 TYR A 285
ASP A 224
ARG A  52
TYR A 295
ILE A 226
 None
 1.23A 2vn1A-2gh4A:
undetectable		 2vn1A-2gh4A:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 TYR A 214
ASP A 232
ARG A 183
PHE A 166
VAL A 158
 None
 1.49A 2vn1A-2ozgA:
undetectable		 2vn1A-2ozgA:
16.10
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
PHE A  66
ASP A  67
PHE A  76
VAL A  85
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 PEG  A 201 (-4.4A)
None
None
PEG  A 201 ( 3.9A)
PEG  A 201 (-3.6A)
PEG  A 201 (-3.7A)
None
None
None
 0.81A 2vn1A-2pbcA:
15.2		 2vn1A-2pbcA:
42.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r4i UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF14534
(DUF4440) 		5 TYR A  53
PHE A  36
VAL A  63
TYR A 100
CYH A 118
 IPA  A 127 (-4.6A)
IPA  A 127 ( 4.1A)
None
None
IPA  A 126 ( 3.7A)
 1.34A 2vn1A-2r4iA:
undetectable		 2vn1A-2r4iA:
21.58
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.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 PHE A  65
ASP A  66
VAL A  82
TRP A  86
PHE A 126
 RAP  A 138 (-3.5A)
RAP  A 138 (-2.7A)
RAP  A 138 (-3.2A)
RAP  A 138 (-2.3A)
RAP  A 138 ( 4.7A)
 0.57A 2vn1A-2vcdA:
14.6		 2vn1A-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
PHE A  65
ASP A  66
VAL A  82
TRP A  86
 RAP  A 138 (-2.6A)
RAP  A 138 (-3.5A)
RAP  A 138 (-2.7A)
RAP  A 138 (-3.2A)
RAP  A 138 (-2.3A)
 0.63A 2vn1A-2vcdA:
14.6		 2vn1A-2vcdA:
30.00
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) 		9 TYR A  33
PHE A  43
ARG A  49
PHE A  53
VAL A  62
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.59A 2vn1A-2y78A:
19.2		 2vn1A-2y78A:
39.55
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) 		9 TYR A  33
PHE A  43
ASP A  44
ARG A  49
PHE A  53
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.73A 2vn1A-2y78A:
19.2		 2vn1A-2y78A:
39.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 ASP A 150
ARG A 114
VAL A  64
ILE A 191
PHE A  53
 None
 1.24A 2vn1A-3b05A:
undetectable		 2vn1A-3b05A:
16.89
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) 		6 TYR A  61
ASP A  73
TYR A 118
CYH A 123
ILE A 127
PHE A 135
 None
 1.09A 2vn1A-3b7xA:
16.7		 2vn1A-3b7xA:
33.33
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) 		6 TYR A  61
PHE A  72
ASP A  73
CYH A 123
ILE A 127
PHE A 135
 None
 1.01A 2vn1A-3b7xA:
16.7		 2vn1A-3b7xA:
33.33
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.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		6 PHE A 256
ASP A 208
ARG A 214
PHE A 212
VAL A 106
TYR A 155
 None
 1.45A 2vn1A-3focA:
undetectable		 2vn1A-3focA:
15.01
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 PHE A 771
VAL A 788
TYR A 688
ILE A 705
PHE A 803
 None
 1.46A 2vn1A-3k7dA:
undetectable		 2vn1A-3k7dA:
13.80
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) 		8 TYR A  57
PHE A  67
ASP A  68
PHE A  77
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.88A 2vn1A-3o5dA:
20.6		 2vn1A-3o5dA:
39.77
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) 		8 TYR A  57
PHE A  67
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.75A 2vn1A-3o5dA:
20.6		 2vn1A-3o5dA:
39.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  57
PHE A  67
ASP A  68
PHE A  77
TYR A 113
ILE A 122
PHE A 130
 None
 0.83A 2vn1A-3o5eA:
21.2		 2vn1A-3o5eA:
46.53
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  67
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.85A 2vn1A-3o5eA:
21.2		 2vn1A-3o5eA:
46.53
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
PHE A  54
ARG A  60
PHE A  64
VAL A  73
TRP A  77
TYR A 100
ILE A 109
PHE A 117
 None
 0.62A 2vn1A-3pa7A:
23.8		 2vn1A-3pa7A:
80.47
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
PHE A  54
ASP A  55
ARG A  60
PHE A  64
VAL A  73
TRP A  77
ILE A 109
PHE A 117
 None
 0.75A 2vn1A-3pa7A:
23.8		 2vn1A-3pa7A:
80.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		6 PHE A 323
ASP A 324
TRP A 345
TYR A 368
ILE A 376
PHE A 384
 None
 0.82A 2vn1A-4bf8A:
17.3		 2vn1A-4bf8A:
38.89
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
PHE A 323
ASP A 324
PHE A 332
VAL A 341
TRP A 345
PHE A 384
 None
 0.94A 2vn1A-4bf8A:
17.3		 2vn1A-4bf8A:
38.89
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
PHE A 323
ASP A 324
VAL A 341
TRP A 345
TYR A 368
PHE A 384
 None
 0.86A 2vn1A-4bf8A:
17.3		 2vn1A-4bf8A:
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.
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
 1.43A 2vn1A-4ckmA:
undetectable		 2vn1A-4ckmA:
21.74
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
PHE A  63
TRP A  88
ILE A 119
PHE A 127
 None
 0.54A 2vn1A-4dipA:
17.9		 2vn1A-4dipA:
33.59
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
 0.62A 2vn1A-4dipA:
17.9		 2vn1A-4dipA:
33.59
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
PHE A  43
ASP A  44
ARG A  49
PHE A  53
VAL A  62
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 FK5  A 201 ( 3.9A)
FK5  A 201 (-4.8A)
FK5  A 201 (-3.5A)
FK5  A 201 ( 3.7A)
FK5  A 201 (-4.1A)
FK5  A 201 ( 3.6A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.7A)
None
FK5  A 201 (-4.8A)
 0.42A 2vn1A-4dz3A:
20.1		 2vn1A-4dz3A:
40.94
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) 		5 PHE A  46
VAL A  55
TYR A  82
ILE A  91
PHE A  99
 None
 0.72A 2vn1A-4iqcA:
19.3		 2vn1A-4iqcA:
39.53
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  36
ARG A  42
PHE A  46
TYR A  82
ILE A  91
PHE A  99
 None
 0.80A 2vn1A-4iqcA:
19.3		 2vn1A-4iqcA:
39.53
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  36
ASP A  37
ARG A  42
TYR A  82
ILE A  91
PHE A  99
 None
 0.73A 2vn1A-4iqcA:
19.3		 2vn1A-4iqcA:
39.53
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  57
PHE A  67
ARG A  73
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.87A 2vn1A-4lawA:
21.0		 2vn1A-4lawA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  57
PHE A  67
ASP A  68
ARG A  73
PHE A  77
VAL A  86
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.92A 2vn1A-4lawA:
21.0		 2vn1A-4lawA:
22.09
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
PHE A  44
TRP A  69
TYR A  92
ILE A 100
PHE A 108
 None
 0.64A 2vn1A-4mspA:
18.0		 2vn1A-4mspA:
31.58
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
PHE A  66
ASP A  67
PHE A  76
VAL A  85
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 FK5  A 201 (-4.1A)
FK5  A 201 (-4.7A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.0A)
FK5  A 201 (-3.4A)
FK5  A 201 (-3.5A)
FK5  A 201 (-4.5A)
None
FK5  A 201 (-4.9A)
 0.28A 2vn1A-4nnrA:
16.1		 2vn1A-4nnrA:
38.03
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.
4odr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA

(Homo sapiens;
Thermus
thermophilus) 		PF00254
(FKBP_C) 		5 TYR A  13
ASP A  23
TYR A  63
ILE A  72
PHE A  80
 FK5  A 201 ( 3.6A)
FK5  A 201 (-3.6A)
FK5  A 201 (-4.4A)
None
FK5  A 201 ( 4.8A)
 0.43A 2vn1A-4odrA:
13.1		 2vn1A-4odrA:
23.36
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  67
ARG A  73
PHE A  77
VAL A  86
TRP A  90
TYR A 113
PHE A 130
 None
 0.79A 2vn1A-4r0xA:
22.2		 2vn1A-4r0xA:
49.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  57
PHE A  67
ASP A  68
ARG A  73
PHE A  77
TYR A 113
PHE A 130
 None
 0.86A 2vn1A-4r0xA:
22.2		 2vn1A-4r0xA:
49.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  57
PHE A  67
ASP A  68
PHE A  77
TYR A 113
ILE A 122
PHE A 130
 None
 0.88A 2vn1A-4r0xA:
22.2		 2vn1A-4r0xA:
49.61
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  67
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.76A 2vn1A-4r0xA:
22.2		 2vn1A-4r0xA:
49.61
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
PHE C  55
ASP C  56
ARG C  61
PHE C  64
VAL C  73
TRP C  77
TYR C 100
ILE C 109
PHE C 117
 FK5  C 201 (-4.1A)
FK5  C 201 ( 4.8A)
FK5  C 201 ( 3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.5A)
FK5  C 201 (-3.4A)
FK5  C 201 (-4.5A)
None
FK5  C 201 (-4.7A)
 0.51A 2vn1A-5b8iC:
18.4		 2vn1A-5b8iC:
36.23
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
PHE A  36
ASP A  37
ARG A  42
PHE A  46
VAL A  55
TRP A  59
TYR A  82
PHE A 146
 None
 0.65A 2vn1A-5i7pA:
17.9		 2vn1A-5i7pA:
32.39
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
PHE A  36
ASP A  37
ARG A  42
PHE A  46
VAL A  55
TRP A  59
TYR A  82
PHE A 147
 None
 0.59A 2vn1A-5i7qA:
18.2		 2vn1A-5i7qA:
32.20
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
ARG A  46
PHE A  50
VAL A  59
TYR A  97
ILE A 102
 None
 1.38A 2vn1A-5i98A:
17.8		 2vn1A-5i98A:
33.58
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
PHE A  40
ASP A  41
ARG A  46
PHE A  50
VAL A  59
TRP A  63
TYR A  97
ILE A 106
PHE A 114
 None
 0.66A 2vn1A-5i98A:
17.8		 2vn1A-5i98A:
33.58
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
PHE A  37
ASP A  38
ARG A  43
PHE A  47
VAL A  56
TRP A  60
TYR A  83
ILE A  92
PHE A 100
 None
 0.76A 2vn1A-5j6eA:
19.3		 2vn1A-5j6eA:
42.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 TYR A   2
PHE A 208
VAL A 129
ILE A  11
PHE A   3
 None
 1.49A 2vn1A-5jd3A:
undetectable		 2vn1A-5jd3A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ASP A 138
ARG A 141
VAL A 205
TYR A 177
ILE A 168
 None
 1.35A 2vn1A-5l1bA:
undetectable		 2vn1A-5l1bA:
11.60
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 10 TYR A  33
PHE A  43
ASP A  44
ARG A  49
PHE A  53
VAL A  62
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-4.8A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-3.3A)
8ZV  A 201 (-4.6A)
8ZV  A 201 ( 4.8A)
8ZV  A 201 (-4.6A)
 0.52A 2vn1A-5v8tA:
20.3		 2vn1A-5v8tA:
20.80
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.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 PHE B 165
ASP B 194
PHE B  46
CYH B 204
ILE B 203
 None
 1.45A 2vn1A-5x5yB:
undetectable		 2vn1A-5x5yB:
22.67
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 157
PHE A 166
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 None
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
None
None
None
 1.23A 2vn1A-5xb0A:
16.2		 2vn1A-5xb0A:
35.21
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
PHE A 157
ASP A 158
VAL A 171
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
None
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.87A 2vn1A-5xb0A:
16.2		 2vn1A-5xb0A:
35.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b4p PEPTIDYLPROLYL
ISOMERASE

(Naegleria
fowleri) 		no annotation 8 TYR A  38
ASP A  49
ARG A  54
PHE A  58
VAL A  67
TRP A  71
TYR A  94
ILE A  99
 None
 1.45A 2vn1A-6b4pA:
21.3		 2vn1A-6b4pA:
43.85
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
PHE A  48
ASP A  49
ARG A  54
PHE A  58
VAL A  67
TRP A  71
TYR A  94
ILE A 103
PHE A 111
 None
 0.59A 2vn1A-6b4pA:
21.3		 2vn1A-6b4pA:
43.85
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.
6ba5 INACTIVE
TYROSINE-PROTEIN
KINASE TRANSMEMBRANE
RECEPTOR ROR1
VARIABLE DOMAIN
HEAVY CHAIN,
ANTIBODY R11
VARIABLE DOMAIN OF
LIGHT CHAIN,
ANTIBODY R11

(Homo sapiens) 		no annotation 5 TYR B  96
PHE B 103
ASP B 102
ARG M 332
VAL A  96
 None
 1.40A 2vn1A-6ba5B:
undetectable		 2vn1A-6ba5B:
20.30
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.
1adv ADENOVIRUS
SINGLE-STRANDED
DNA-BINDING PROTEIN

(Human
mastadenovirus
C) 		PF02236
(Viral_DNA_bi)
PF03728
(Viral_DNA_Zn_bi) 		4 LEU A 415
SER A 354
PHE A 350
LYS A 414
 None
 0.96A 2vn1B-1advA:
0.0		 2vn1B-1advA:
15.96
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.
1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB

(Thermotoga
maritima) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		4 LEU A 279
PHE A 260
ASP A 258
GLU A 298
 None
 1.27A 2vn1B-1in8A:
0.0		 2vn1B-1in8A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jr7 HYPOTHETICAL 37.4
KDA PROTEIN IN
ILEY-GABD INTERGENIC
REGION

(Escherichia
coli) 		PF08943
(CsiD) 		4 LEU A 207
PHE A 214
ASP A 225
GLU A 255
 None
 1.23A 2vn1B-1jr7A:
0.0		 2vn1B-1jr7A:
15.00
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.
1kk0 EIF2GAMMA

(Pyrococcus
abyssi) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		4 LEU A  96
SER A  86
PHE A  52
ASP A  54
 None
 1.24A 2vn1B-1kk0A:
undetectable		 2vn1B-1kk0A:
15.42
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.
1kll MITOMYCIN-BINDING
PROTEIN

(Streptomyces
lavendulae) 		PF00903
(Glyoxalase) 		4 SER A  84
PHE A  79
ASP A  81
GLU A  91
 None
 1.07A 2vn1B-1kllA:
undetectable		 2vn1B-1kllA:
20.14
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.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 LEU A 543
SER A 497
PHE A 493
ASP A 495
 None
 1.16A 2vn1B-1lxtA:
0.3		 2vn1B-1lxtA:
12.25
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.
1nex CDC4 PROTEIN

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 LEU B 353
SER B 744
ASP B 742
GLU B 357
 None
 1.27A 2vn1B-1nexB:
0.0		 2vn1B-1nexB:
17.84
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.
1ons CHAPERONE PROTEIN
HCHA

(Escherichia
coli) 		no annotation 4 LEU A  25
SER A 261
PHE A 263
ASP A 260
 None
 1.33A 2vn1B-1onsA:
undetectable		 2vn1B-1onsA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		4 LEU A 343
PHE A 398
ASP A 463
GLU A 346
 None
 1.32A 2vn1B-1uusA:
0.0		 2vn1B-1uusA:
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.
1vbr ENDO-1,4-BETA-XYLANA
SE B

(Thermotoga
maritima) 		PF00331
(Glyco_hydro_10) 		4 LEU A 833
PHE A 816
ASP A 798
LYS A 830
 None
 1.30A 2vn1B-1vbrA:
undetectable		 2vn1B-1vbrA:
19.27
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.
1wdj HYPOTHETICAL PROTEIN
TT1808

(Thermus
thermophilus) 		PF05685
(Uma2) 		4 SER A  81
PHE A  77
ASP A  79
GLU A  29
 None
 0.89A 2vn1B-1wdjA:
undetectable		 2vn1B-1wdjA:
22.68
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		4 LEU A1369
SER A1355
ASP A1352
GLU A1362
 None
 1.03A 2vn1B-1xv5A:
undetectable		 2vn1B-1xv5A:
17.11
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.
2cn1 CYTOSOLIC
5'-NUCLEOTIDASE III

(Homo sapiens) 		PF05822
(UMPH-1) 		4 LEU A 120
SER A 153
PHE A  39
ASP A  38
 None
 0.99A 2vn1B-2cn1A:
undetectable		 2vn1B-2cn1A:
17.73
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 LEU A 269
SER A 298
PHE A 301
ASP A  54
 None
 1.28A 2vn1B-2j4dA:
undetectable		 2vn1B-2j4dA:
16.31
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 LEU A 242
SER A 231
ASP A 228
GLU A 238
 None
None
SO4  A1523 (-4.9A)
None
 1.28A 2vn1B-2jgpA:
undetectable		 2vn1B-2jgpA:
14.08
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.
2lkd TRANSLATION
INITIATION FACTOR
IF-2

(Geobacillus
stearothermophilus) 		PF00009
(GTP_EFTU) 		4 LEU A 174
ASP A  54
LYS A 175
GLU A 173
 None
 1.33A 2vn1B-2lkdA:
undetectable		 2vn1B-2lkdA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzt HEXOKINASE-2

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 SER A 269
PHE A 264
ASP A 267
GLU A  38
 None
None
UNX  A   1 (-3.2A)
None
 1.23A 2vn1B-2nztA:
undetectable		 2vn1B-2nztA:
9.01
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.
2peb PUTATIVE DIOXYGENASE

(Nostoc
punctiforme) 		PF08883
(DOPA_dioxygen) 		4 LEU A  32
SER A  21
PHE A  17
ASP A  18
 None
PG4  A 202 (-2.8A)
None
PG4  A 202 (-2.8A)
 1.25A 2vn1B-2pebA:
undetectable		 2vn1B-2pebA:
18.18
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.
2qeq FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT

(West Nile virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 LEU A 376
SER A 421
ASP A 471
LYS A 381
 None
 1.34A 2vn1B-2qeqA:
undetectable		 2vn1B-2qeqA:
12.06
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.
2vk2 ABC TRANSPORTER
PERIPLASMIC-BINDING
PROTEIN YTFQ

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 LEU A  89
SER A  14
ASP A 201
GLU A  20
 None
GZL  A1298 (-2.7A)
None
None
 1.10A 2vn1B-2vk2A:
undetectable		 2vn1B-2vk2A:
20.69
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 LEU A 659
SER A 436
PHE A 430
ASP A 433
 None
 1.25A 2vn1B-2wjvA:
undetectable		 2vn1B-2wjvA:
9.79
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 LEU A 659
SER A 436
PHE A 430
ASP A 433
 None
 1.28A 2vn1B-2xzoA:
undetectable		 2vn1B-2xzoA:
12.14
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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		4 SER A 302
PHE A 298
ASP A 299
GLU A 309
 None
 1.26A 2vn1B-2yy7A:
undetectable		 2vn1B-2yy7A:
18.30
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 LEU A 415
ASP A 397
LYS A 412
GLU A 392
 None
 1.25A 2vn1B-2ziuA:
undetectable		 2vn1B-2ziuA:
18.30
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.
3bs4 UNCHARACTERIZED
PROTEIN PH0321

(Pyrococcus
horikoshii) 		no annotation 4 LEU A  45
SER A   3
ASP A  10
LYS A  46
 None
 1.17A 2vn1B-3bs4A:
undetectable		 2vn1B-3bs4A:
20.56
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  68
SER A 245
ASP A 454
GLU A 218
 None
None
None
ADN  A 500 (-2.6A)
 1.34A 2vn1B-3ce6A:
undetectable		 2vn1B-3ce6A:
15.91
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.
3dv8 TRANSCRIPTIONAL
REGULATOR, CRP/FNR
FAMILY

([Eubacterium]
rectale) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 LEU A 167
PHE A  72
ASP A  73
GLU A 162
 None
 1.14A 2vn1B-3dv8A:
undetectable		 2vn1B-3dv8A:
21.50
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.
3dwv GLUTATHIONE
PEROXIDASE-LIKE
PROTEIN

(Trypanosoma
brucei) 		PF00255
(GSHPx) 		4 LEU A 170
SER A  14
PHE A  16
ASP A  17
 None
 1.06A 2vn1B-3dwvA:
undetectable		 2vn1B-3dwvA:
20.42
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.
3f0c TRANSCRIPTIONAL
REGULATOR

(Cytophaga
hutchinsonii) 		PF00440
(TetR_N) 		4 LEU A  58
SER A 110
PHE A 120
ASP A 111
 None
 1.25A 2vn1B-3f0cA:
undetectable		 2vn1B-3f0cA:
24.19
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.
3fnd CHITINASE

(Bacteroides
thetaiotaomicron) 		PF00704
(Glyco_hydro_18) 		4 LEU A 337
SER A 212
PHE A 231
ASP A 234
 None
 1.14A 2vn1B-3fndA:
undetectable		 2vn1B-3fndA:
18.63
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  61
SER A 226
ASP A 432
GLU A 199
 None
None
None
RAB  A 602 (-4.6A)
 1.11A 2vn1B-3glqA:
undetectable		 2vn1B-3glqA:
14.14
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.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  51
SER A 182
ASP A 396
GLU A 155
 None
 0.92A 2vn1B-3h9uA:
undetectable		 2vn1B-3h9uA:
15.94
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 537
SER A 519
PHE A 516
ASP A 565
 None
 1.23A 2vn1B-3hhdA:
undetectable		 2vn1B-3hhdA:
8.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 428
SER A 391
PHE A 385
GLU A 453
 None
 1.30A 2vn1B-3ic9A:
undetectable		 2vn1B-3ic9A:
12.88
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.
3iec SERINE/THREONINE-PRO
TEIN KINASE MARK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		4 LEU A  97
ASP A 232
LYS A  96
GLU A 100
 None
 1.19A 2vn1B-3iecA:
undetectable		 2vn1B-3iecA:
17.80
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.
3iu1 GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 LEU A 493
SER A 227
PHE A 247
GLU A 244
 None
 1.13A 2vn1B-3iu1A:
undetectable		 2vn1B-3iu1A:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7y BL17
MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p)
PF01196
(Ribosomal_L17) 		4 LEU O  85
SER s  55
LYS O  83
GLU O  82
 None
C  A2326 ( 2.6A)
None
U  A2325 ( 3.5A)
 1.32A 2vn1B-3j7yO:
undetectable		 2vn1B-3j7yO:
20.50
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.
3l2e GLYCOCYAMINE KINASE
ALPHA CHAIN

(Namalycastis
sp. ST01) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 LEU A  45
SER A  93
PHE A  88
ASP A  90
 None
 1.24A 2vn1B-3l2eA:
undetectable		 2vn1B-3l2eA:
18.63
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A 156
PHE A 160
ASP A 157
GLU A 184
 None
 1.14A 2vn1B-3l8kA:
undetectable		 2vn1B-3l8kA:
13.94
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.
3lqn CBS DOMAIN PROTEIN

(Bacillus
anthracis) 		PF00571
(CBS) 		4 LEU A  99
ASP A  52
LYS A  98
GLU A 126
 None
 1.23A 2vn1B-3lqnA:
undetectable		 2vn1B-3lqnA:
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  54
SER A 219
ASP A 425
GLU A 192
 None
None
None
ADN  A 500 (-3.6A)
 0.93A 2vn1B-3n58A:
undetectable		 2vn1B-3n58A:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nws CELL DIVISION
CONTROL PROTEIN 13

(Saccharomyces
cerevisiae) 		PF16853
(CDC13_N) 		4 LEU A  53
SER A  81
PHE A  76
ASP A  78
 None
 1.16A 2vn1B-3nwsA:
undetectable		 2vn1B-3nwsA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on2 PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF13305
(WHG) 		4 LEU A  69
PHE A  53
ASP A  55
GLU A  65
 None
 1.10A 2vn1B-3on2A:
undetectable		 2vn1B-3on2A:
20.81
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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  61
SER A 232
ASP A 444
GLU A 205
 None
 1.24A 2vn1B-3oneA:
undetectable		 2vn1B-3oneA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		4 LEU A 703
PHE A 694
ASP A 693
GLU A 604
 None
None
None
CA  A 902 (-2.3A)
 1.14A 2vn1B-3pgbA:
undetectable		 2vn1B-3pgbA:
10.38
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.
3r4r HYPOTHETICAL
FIMBRIAL ASSEMBLY
PROTEIN

(Parabacteroides
distasonis) 		PF06321
(P_gingi_FimA) 		4 LEU A 187
SER A 134
PHE A 136
ASP A 137
 None
 1.06A 2vn1B-3r4rA:
undetectable		 2vn1B-3r4rA:
19.00
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		4 LEU A  96
SER A  91
ASP A  89
LYS A  95
 None
 1.09A 2vn1B-3r9uA:
undetectable		 2vn1B-3r9uA:
19.17
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 SER A 165
PHE A 167
ASP A 168
GLU A 342
 None
 0.67A 2vn1B-3rimA:
undetectable		 2vn1B-3rimA:
11.01
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.
3rp9 MITOGEN-ACTIVATED
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 LEU A  93
PHE A 129
ASP A 125
GLU A 428
 None
 1.13A 2vn1B-3rp9A:
undetectable		 2vn1B-3rp9A:
14.85
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.
3rqb UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF13622
(4HBT_3) 		4 LEU A 141
SER A 155
PHE A 157
ASP A 158
 None
 1.29A 2vn1B-3rqbA:
undetectable		 2vn1B-3rqbA:
17.91
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 LEU A 138
PHE A  70
ASP A 362
GLU A 385
 None
 1.31A 2vn1B-3wkyA:
undetectable		 2vn1B-3wkyA:
10.87
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.
3zzi ACETYLGLUTAMATE
KINASE

(Saccharomyces
cerevisiae) 		PF00696
(AA_kinase)
PF04768
(NAT) 		4 LEU A  88
ASP A 437
LYS A  89
GLU A  85
 None
 1.13A 2vn1B-3zziA:
undetectable		 2vn1B-3zziA:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aq1 SBSB PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 4 SER C 580
PHE C 575
ASP C 576
GLU C 544
 None
 1.30A 2vn1B-4aq1C:
undetectable		 2vn1B-4aq1C:
8.76
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.
4art STRUCTURAL PROTEIN
ORF273

(Acidianus
two-tailed
virus) 		no annotation 4 LEU A 264
PHE A 102
ASP A  98
GLU A 267
 None
 1.26A 2vn1B-4artA:
undetectable		 2vn1B-4artA:
22.68
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.
4bwe GLYPICAN-1

(Homo sapiens) 		PF01153
(Glypican) 		4 LEU A  85
SER A 395
PHE A 392
ASP A 391
 None
None
None
CA  A 503 (-2.5A)
 1.33A 2vn1B-4bweA:
undetectable		 2vn1B-4bweA:
13.80
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.
4c2x GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 2

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 LEU A 493
SER A 227
PHE A 247
GLU A 244
 None
 1.23A 2vn1B-4c2xA:
undetectable		 2vn1B-4c2xA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dkn AMPHIOXUS GREEN
FLUORESCENT PROTEIN,
GFPA1

(Branchiostoma
floridae) 		PF01353
(GFP) 		4 LEU A 208
SER A 141
PHE A 155
GLU A 210
 CR2  A  60 ( 4.9A)
CR2  A  60 ( 4.0A)
CR2  A  60 ( 4.0A)
CR2  A  60 ( 3.0A)
 1.14A 2vn1B-4dknA:
undetectable		 2vn1B-4dknA:
21.36
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) 		4 LEU A  15
SER A  45
ASP A  48
GLU A 107
 None
 0.79A 2vn1B-4dz3A:
20.1		 2vn1B-4dz3A:
40.94
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		4 LEU A 101
SER A  91
PHE A  90
GLU A  97
 None
 1.20A 2vn1B-4efcA:
undetectable		 2vn1B-4efcA:
13.83
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.
4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE
PROTEIN DBF4 HOMOLOG
A

(Homo sapiens) 		PF00069
(Pkinase)
PF07535
(zf-DBF) 		4 LEU A 550
SER B 251
PHE B 253
ASP B 254
 None
 0.99A 2vn1B-4f99A:
undetectable		 2vn1B-4f99A:
15.67
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.
4g3v TRANSCRIPTIONAL
REGULATOR NLH2

(Aquifex
aeolicus) 		PF13185
(GAF_2) 		4 SER A 141
PHE A 136
ASP A 138
GLU A   8
 None
 1.27A 2vn1B-4g3vA:
undetectable		 2vn1B-4g3vA:
23.60
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.
4jxu PUTATIVE
AMINOTRANSFERASE

(Sinorhizobium
meliloti) 		PF01063
(Aminotran_4) 		4 SER A 138
PHE A 177
ASP A 178
GLU A 269
 None
 1.09A 2vn1B-4jxuA:
undetectable		 2vn1B-4jxuA:
18.98
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.
4kk2 MONOTERPENE SYNTHASE
FDS-5, CHLOROPLASTIC
- FARNESYL
DIPHOSPHATE SYNTHASE
1 CHIMERA

(Artemisia
spiciformis) 		PF00348
(polyprenyl_synt) 		4 LEU A 129
SER A  36
PHE A  32
ASP A  33
 None
 1.17A 2vn1B-4kk2A:
undetectable		 2vn1B-4kk2A:
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		4 LEU A  24
SER A 111
PHE A 107
ASP A 108
 None
 1.28A 2vn1B-4kkmA:
undetectable		 2vn1B-4kkmA:
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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  57
SER A 224
ASP A 432
GLU A 197
 None
None
GOL  A 505 (-4.0A)
ADN  A 501 (-3.6A)
 0.94A 2vn1B-4lvcA:
undetectable		 2vn1B-4lvcA:
16.12
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.
4nt4 GILGAMESH, ISOFORM I

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 PHE A 302
ASP A 301
LYS A 213
GLU A 211
 None
SO4  A 402 (-2.9A)
None
None
 1.16A 2vn1B-4nt4A:
undetectable		 2vn1B-4nt4A:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		4 LEU A 206
SER A  74
PHE A  75
ASP A  57
 None
MG7  A 403 ( 4.2A)
MG7  A 403 (-3.6A)
MG7  A 403 (-3.9A)
 1.28A 2vn1B-4nv0A:
undetectable		 2vn1B-4nv0A:
18.10
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.
4rhb LPS-ASSEMBLY PROTEIN
LPTD

(Escherichia
coli) 		PF04453
(OstA_C) 		4 SER A 578
ASP A 611
LYS A 490
GLU A 509
 None
 0.92A 2vn1B-4rhbA:
undetectable		 2vn1B-4rhbA:
12.52
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.
4rzi 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 4 LEU B  50
SER B  61
ASP B  58
GLU B  68
 None
 1.19A 2vn1B-4rziB:
undetectable		 2vn1B-4rziB:
21.89
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.
4u7b MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		4 SER A 305
PHE A 300
ASP A 301
GLU A 312
 None
 0.96A 2vn1B-4u7bA:
undetectable		 2vn1B-4u7bA:
14.83
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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 LEU A 323
SER A 287
PHE A 264
ASP A 265
 None
 1.18A 2vn1B-4z64A:
undetectable		 2vn1B-4z64A:
11.22
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.
4zgp CELL DIVISION CYCLE
PROTEIN 123

(Schizosaccharomyces
pombe) 		PF07065
(D123) 		4 LEU A 250
SER A 100
PHE A 131
ASP A 135
 None
 1.12A 2vn1B-4zgpA:
undetectable		 2vn1B-4zgpA:
21.84
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.
4zgq CELL DIVISION CYCLE
PROTEIN 123

(Schizosaccharomyces
pombe) 		PF07065
(D123) 		4 LEU A 250
SER A 100
PHE A 131
ASP A 135
 None
 1.14A 2vn1B-4zgqA:
undetectable		 2vn1B-4zgqA:
19.63
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.
5c5b DCC-INTERACTING
PROTEIN 13-ALPHA

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		4 LEU A 277
SER A 359
ASP A 265
GLU A 365
 None
 1.26A 2vn1B-5c5bA:
undetectable		 2vn1B-5c5bA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce6 FACT-SPT16

(Cicer arietinum) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 LEU A 248
SER A 284
PHE A 270
GLU A 244
 None
 1.28A 2vn1B-5ce6A:
undetectable		 2vn1B-5ce6A:
12.71
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 LEU A 256
SER A 261
ASP A 303
LYS A 257
 None
 1.14A 2vn1B-5df0A:
undetectable		 2vn1B-5df0A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 429
SER A 236
PHE A 237
GLU A 316
 None
 1.21A 2vn1B-5erbA:
undetectable		 2vn1B-5erbA:
13.52
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.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		4 SER A 173
PHE A 175
ASP A 176
GLU A  66
 None
 1.30A 2vn1B-5f5wA:
undetectable		 2vn1B-5f5wA:
17.45
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.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE

(Homo sapiens) 		PF00149
(Metallophos) 		4 LEU A 535
PHE A 270
ASP A 271
GLU A 515
 None
None
SO4  A 726 (-4.0A)
None
 1.09A 2vn1B-5i85A:
undetectable		 2vn1B-5i85A:
11.86
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.
5ig1 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF00069
(Pkinase) 		4 LEU A  51
SER A   8
PHE A  10
ASP A  11
 None
 1.23A 2vn1B-5ig1A:
undetectable		 2vn1B-5ig1A:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jnz ALPHA CHAIN

(Acipenser
stellatus) 		PF00042
(Globin) 		4 SER A  53
ASP A  48
LYS A  62
GLU A  22
 None
None
HEM  A 201 (-2.9A)
None
 1.27A 2vn1B-5jnzA:
undetectable		 2vn1B-5jnzA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		4 LEU A 311
SER A 117
PHE A 340
ASP A 349
 None
 1.09A 2vn1B-5l8vA:
undetectable		 2vn1B-5l8vA:
19.11
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.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 LEU A  90
SER A 134
PHE A 130
ASP A 133
 None
 1.33A 2vn1B-5lu4A:
undetectable		 2vn1B-5lu4A:
10.83
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 LEU A 291
SER A 268
PHE A 266
ASP A 267
 None
None
None
ZN  A 701 ( 2.6A)
 1.22A 2vn1B-5td7A:
undetectable		 2vn1B-5td7A:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 4 LEU A 131
SER A 152
PHE A 158
ASP A 157
 None
 1.15A 2vn1B-5ty7A:
undetectable		 2vn1B-5ty7A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucg STAGE II SPORULATION
PROTEIN E

(Bacillus
subtilis) 		PF07228
(SpoIIE) 		4 LEU A 651
SER A 691
ASP A 689
GLU A 657
 None
 1.28A 2vn1B-5ucgA:
undetectable		 2vn1B-5ucgA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  52
SER A 238
ASP A 454
GLU A 211
 None
None
None
SAH  A 502 (-3.8A)
 0.99A 2vn1B-5utuA:
undetectable		 2vn1B-5utuA:
17.11
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 4 LEU A  15
SER A  45
ASP A  48
GLU A 107
 None
 0.72A 2vn1B-5v8tA:
20.2		 2vn1B-5v8tA:
20.80
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  58
SER A 224
ASP A 431
GLU A 197
 None
None
None
ADN  A 502 (-3.5A)
 0.89A 2vn1B-5v96A:
undetectable		 2vn1B-5v96A:
15.62
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.
5way TRANSCRIPTIONAL
ACTIVATOR

(Streptococcus
pneumoniae) 		PF05043
(Mga)
PF08270
(PRD_Mga)
PF08280
(HTH_Mga) 		4 SER A 295
ASP A 299
LYS A 282
GLU A 288
 None
 1.28A 2vn1B-5wayA:
undetectable		 2vn1B-5wayA:
15.45
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 LEU A 106
SER A  96
ASP A  95
GLU A 103
 None
 1.14A 2vn1B-5xblA:
undetectable		 2vn1B-5xblA:
7.08
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.
5zvs VP2

(Aquareovirus C) 		no annotation 4 LEU 2  17
SER 2 171
PHE 2 893
ASP 2 176
 None
 1.29A 2vn1B-5zvs2:
undetectable		 2vn1B-5zvs2:
19.84
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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A  57
SER A 188
ASP A 396
GLU A 161
 None
None
None
ADN  A 501 (-2.5A)
 1.12A 2vn1B-6aphA:
undetectable		 2vn1B-6aphA:
15.80
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.
6eoj POLYADENYLATION
FACTOR SUBUNIT
2,POLYADENYLATION
FACTOR SUBUNIT 2

(Saccharomyces
cerevisiae) 		no annotation 4 SER D 285
PHE D 260
ASP D 283
GLU D 297
 None
 1.28A 2vn1B-6eojD:
undetectable		 2vn1B-6eojD:
15.15
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 4 LEU B 173
SER B 327
PHE B 330
ASP B 395
 None
None
BCR  B4008 (-4.5A)
None
 1.33A 2vn1B-6fosB:
undetectable		 2vn1B-6fosB:
17.74
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.
6g21 PROBABLE FERULOYL
ESTERASE B-2

(Aspergillus
oryzae) 		no annotation 4 LEU A  72
SER A 163
PHE A 186
ASP A 187
 None
 0.81A 2vn1B-6g21A:
undetectable		 2vn1B-6g21A:
23.85
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.
6gbn -

(-) 		no annotation 4 LEU A  55
SER A 186
ASP A 394
GLU A 159
 None
None
None
ADN  A 501 (-3.9A)
 0.92A 2vn1B-6gbnA:
undetectable		 2vn1B-6gbnA:
undetectable