SIMILAR PATTERNS OF AMINO ACIDS FOR 2DG3_A_RAPA501_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 ASP A 142
PHE A 153
ILE A 159
TRP A 162
TYR A 185
PHE A 202
 None
 1.16A 2dg3A-1fd9A:
16.1		 2dg3A-1fd9A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		7 TYR A 131
ASP A 142
VAL A 158
ILE A 159
TRP A 162
TYR A 185
PHE A 202
 None
 0.54A 2dg3A-1fd9A:
16.1		 2dg3A-1fd9A:
34.19
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) 		8 TYR A  26
ASP A  37
GLU A  54
TRP A  59
TYR A  82
HIS A  87
ILE A  90
PHE A  99
 None
 0.93A 2dg3A-1fkkA:
22.2		 2dg3A-1fkkA:
97.20
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) 		5 TYR A  26
ASP A  37
PHE A  46
GLU A  54
ILE A  91
 None
 1.19A 2dg3A-1fkkA:
22.2		 2dg3A-1fkkA:
97.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fkk FK506 BINDING
PROTEIN

(Bos taurus) 		PF00254
(FKBP_C) 		10 TYR A  26
ASP A  37
PHE A  46
GLU A  54
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  90
PHE A  99
 None
 0.59A 2dg3A-1fkkA:
22.2		 2dg3A-1fkkA:
97.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		6 TYR A 163
PHE A 151
VAL A 140
TRP A  96
HIS A 137
PHE A 166
 None
 1.41A 2dg3A-1hxjA:
undetectable		 2dg3A-1hxjA:
14.11
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
VAL A 119
ILE A 120
TRP A 123
TYR A 146
PHE A 163
 None
 0.58A 2dg3A-1jvwA:
15.5		 2dg3A-1jvwA:
42.06
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
GLU A 118
VAL A 119
ILE A 120
TRP A 123
TYR A 146
PHE A 163
 None
 0.42A 2dg3A-1jvwA:
15.5		 2dg3A-1jvwA:
42.06
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 TYR A  92
PHE A 114
ILE A 120
TRP A 123
TYR A 146
PHE A 163
 None
 0.94A 2dg3A-1jvwA:
15.5		 2dg3A-1jvwA:
42.06
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 TYR A  57
PHE A  77
TRP A  90
ILE A 122
PHE A 130
 None
 0.86A 2dg3A-1kt1A:
15.5		 2dg3A-1kt1A:
23.83
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.
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
 0.83A 2dg3A-1kt1A:
15.5		 2dg3A-1kt1A:
23.83
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.
1mox EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 VAL A 416
ILE A 383
HIS A 346
ILE A 316
PHE A 396
 None
 1.36A 2dg3A-1moxA:
undetectable		 2dg3A-1moxA:
12.06
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
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.76A 2dg3A-1n1aA:
18.0		 2dg3A-1n1aA:
45.74
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 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A 122
 None
 1.15A 2dg3A-1n1aA:
18.0		 2dg3A-1n1aA:
45.74
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) 		7 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
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)
None
 0.32A 2dg3A-1pbkA:
19.4		 2dg3A-1pbkA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 PHE A 168
ILE A 174
TRP A 177
TYR A 200
PHE A 216
 None
 1.34A 2dg3A-1q6hA:
15.9		 2dg3A-1q6hA:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		7 TYR A 146
ASP A 157
VAL A 173
ILE A 174
TRP A 177
TYR A 200
PHE A 216
 None
 0.49A 2dg3A-1q6hA:
15.9		 2dg3A-1q6hA:
32.16
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) 		8 TYR A  40
ASP A  51
PHE A  60
VAL A  69
ILE A  70
TRP A  73
TYR A  96
PHE A 113
 None
 0.55A 2dg3A-1r9hA:
19.9		 2dg3A-1r9hA:
44.63
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
GLU A  65
VAL A  66
ILE A  67
TRP A  70
TYR A  99
PHE A 121
 None
 0.45A 2dg3A-1u79A:
17.5		 2dg3A-1u79A:
36.92
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) 		5 TYR A  26
ASP A  37
PHE A  46
TRP A  59
ILE A  91
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.6A)
None
 1.31A 2dg3A-1yatA:
20.5		 2dg3A-1yatA:
57.41
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) 		8 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
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
 0.39A 2dg3A-1yatA:
20.5		 2dg3A-1yatA:
57.41
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.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS

(Bacillus
subtilis) 		PF02898
(NO_synthase) 		5 TYR A 129
PHE A 163
ILE A 240
TYR A 288
ILE A 189
 None
 1.13A 2dg3A-2an2A:
undetectable		 2dg3A-2an2A:
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.
2iv8 AP-2 COMPLEX SUBUNIT
BETA-1

(Homo sapiens) 		PF02883
(Alpha_adaptinC2)
PF09066
(B2-adapt-app_C) 		5 PHE A 762
GLU A 922
VAL A 923
ILE A 927
PHE A 826
 None
 1.03A 2dg3A-2iv8A:
undetectable		 2dg3A-2iv8A:
16.73
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
GLU A  55
VAL A  56
ILE A  57
TRP A  60
 None
 0.87A 2dg3A-2lpvA:
17.8		 2dg3A-2lpvA:
71.96
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
GLU A  55
ILE A  57
TRP A  60
 None
 0.91A 2dg3A-2lpvA:
17.8		 2dg3A-2lpvA:
71.96
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) 		8 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A  86
TRP A  89
TYR A 112
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
 0.76A 2dg3A-2pbcA:
15.5		 2dg3A-2pbcA:
47.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 ASP A  66
VAL A  82
ILE A  83
TRP A  86
ILE A 118
PHE A 126
 RAP  A 138 (-2.7A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
None
RAP  A 138 ( 4.7A)
 1.40A 2dg3A-2vcdA:
13.6		 2dg3A-2vcdA:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 TYR A  55
ASP A  66
VAL A  82
ILE A  83
TRP A  86
 RAP  A 138 (-2.6A)
RAP  A 138 (-2.7A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
 0.83A 2dg3A-2vcdA:
13.6		 2dg3A-2vcdA:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 TYR A  55
VAL A  82
ILE A  83
TRP A  86
TYR A 109
 RAP  A 138 (-2.6A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
RAP  A 138 (-3.8A)
 0.73A 2dg3A-2vcdA:
13.6		 2dg3A-2vcdA:
34.19
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) 		5 TYR A  44
ASP A  56
PHE A  65
GLU A  73
ILE A 110
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
FK5  A 501 (-4.1A)
None
None
 1.36A 2dg3A-2vn1A:
19.8		 2dg3A-2vn1A:
40.31
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
GLU A  73
VAL A  74
ILE A  75
TRP A  78
TYR A 101
PHE A 118
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
FK5  A 501 (-4.1A)
None
FK5  A 501 (-3.5A)
FK5  A 501 (-4.3A)
FK5  A 501 (-3.3A)
FK5  A 501 (-4.7A)
FK5  A 501 (-4.8A)
 0.46A 2dg3A-2vn1A:
19.8		 2dg3A-2vn1A:
40.31
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.
2vxp TRANSFORMING GROWTH
FACTOR-BETA-INDUCED
PROTEIN IG-H3

(Homo sapiens) 		PF02469
(Fasciclin) 		5 PHE A 515
GLU A 615
VAL A 627
ILE A 628
ILE A 573
 None
 1.08A 2dg3A-2vxpA:
undetectable		 2dg3A-2vxpA:
19.85
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
VAL A  62
ILE A  63
TRP A  66
TYR A  89
PHE A 106
 None
 0.61A 2dg3A-2y78A:
18.0		 2dg3A-2y78A:
47.73
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) 		5 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  98
 None
 1.20A 2dg3A-2y78A:
18.0		 2dg3A-2y78A:
47.73
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 761
GLU A 772
VAL A 768
ILE A 767
ILE A 758
 None
 1.32A 2dg3A-2yn9A:
undetectable		 2dg3A-2yn9A:
7.77
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 TYR A 427
PHE A 436
GLU A 160
VAL A 161
PHE A 425
 None
 1.31A 2dg3A-2zj8A:
undetectable		 2dg3A-2zj8A:
10.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3azc CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT

(Thermosynechococcus
elongatus) 		PF00355
(Rieske) 		5 ASP A 134
GLU A  95
ILE A  92
TYR A 102
PHE A 124
 None
 1.36A 2dg3A-3azcA:
undetectable		 2dg3A-3azcA:
19.38
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.
3dhw METHIONINE IMPORT
ATP-BINDING PROTEIN
METN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF09383
(NIL) 		5 TYR C  34
GLU C 221
VAL C 213
ILE C 214
ILE C   7
 None
 1.32A 2dg3A-3dhwC:
undetectable		 2dg3A-3dhwC:
15.09
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.
3k4u BINDING COMPONENT OF
ABC TRANSPORTER

(Wolinella
succinogenes) 		PF00497
(SBP_bac_3) 		5 GLU A 187
VAL A  89
ILE A  87
TYR A  86
PHE A 225
 None
 1.29A 2dg3A-3k4uA:
undetectable		 2dg3A-3k4uA:
23.71
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.
3lul 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Legionella
pneumophila) 		PF01063
(Aminotran_4) 		5 TYR A 114
VAL A  34
ILE A  85
HIS A  45
PHE A 112
 None
 1.36A 2dg3A-3lulA:
undetectable		 2dg3A-3lulA:
19.19
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 TYR A 508
PHE A 484
VAL A 299
ILE A 292
ILE A 495
 None
 1.20A 2dg3A-3n6rA:
undetectable		 2dg3A-3n6rA:
9.69
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
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.76A 2dg3A-3o5dA:
18.8		 2dg3A-3o5dA:
32.77
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) 		5 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A 122
 None
 1.19A 2dg3A-3o5dA:
18.8		 2dg3A-3o5dA:
32.77
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) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.84A 2dg3A-3o5eA:
18.8		 2dg3A-3o5eA:
39.58
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) 		8 TYR A  43
ASP A  55
PHE A  64
GLU A  72
VAL A  73
ILE A  74
TRP A  77
PHE A 117
 None
 0.54A 2dg3A-3pa7A:
19.3		 2dg3A-3pa7A:
39.39
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) 		6 TYR A  43
ASP A  55
PHE A  64
GLU A  72
VAL A  73
ILE A 109
 None
 1.09A 2dg3A-3pa7A:
19.3		 2dg3A-3pa7A:
39.39
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) 		8 TYR A  43
PHE A  64
GLU A  72
VAL A  73
ILE A  74
TRP A  77
TYR A 100
PHE A 117
 None
 0.45A 2dg3A-3pa7A:
19.3		 2dg3A-3pa7A:
39.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v1z ENDONUCLEASE
BSE634IR

(Geobacillus
stearothermophilus) 		PF07832
(Bse634I) 		5 ASP A 173
PHE A  27
GLU A  80
VAL A  81
ILE A  85
 None
 1.23A 2dg3A-3v1zA:
undetectable		 2dg3A-3v1zA:
16.78
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 ASP B 996
PHE B1112
VAL B1074
ILE B1078
ILE B 911
 None
 1.33A 2dg3A-3zefB:
undetectable		 2dg3A-3zefB:
6.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		7 TYR A 313
ASP A 324
PHE A 332
VAL A 341
ILE A 342
TRP A 345
PHE A 384
 None
 0.78A 2dg3A-4bf8A:
16.3		 2dg3A-4bf8A:
38.66
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
 0.69A 2dg3A-4bf8A:
16.3		 2dg3A-4bf8A:
38.66
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
GLU A 340
VAL A 341
ILE A 342
TRP A 345
TYR A 368
PHE A 384
 None
 1.06A 2dg3A-4bf8A:
16.3		 2dg3A-4bf8A:
38.66
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 332
GLU A 340
VAL A 341
ILE A 342
TRP A 345
PHE A 384
 None
 1.14A 2dg3A-4bf8A:
16.3		 2dg3A-4bf8A:
38.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 5 GLU A 500
VAL A 501
HIS A 506
ILE A  22
PHE A 291
 None
 1.30A 2dg3A-4btgA:
undetectable		 2dg3A-4btgA:
8.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dxe ACYL-CARRIER-PROTEIN
SYNTHASE

(Staphylococcus
aureus) 		PF01648
(ACPS) 		5 PHE A  38
GLU A  44
ILE A  15
HIS A 103
ILE A 101
 None
None
None
MLI  A 201 (-4.4A)
MLI  A 201 ( 4.1A)
 1.27A 2dg3A-4dxeA:
undetectable		 2dg3A-4dxeA:
20.71
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) 		8 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
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)
FK5  A 201 (-4.8A)
 0.36A 2dg3A-4dz3A:
18.8		 2dg3A-4dz3A:
53.98
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.
4fqg TRANSCRIPTION
ELONGATION REGULATOR
1

(Homo sapiens) 		PF01846
(FF) 		5 TYR A 116
ASP A  75
GLU A  88
VAL A  89
ILE A  93
 None
 1.11A 2dg3A-4fqgA:
undetectable		 2dg3A-4fqgA:
19.02
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.
4gnk 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 ASP B 851
GLU B 717
VAL B 718
ILE B 719
TYR B 847
 None
 0.89A 2dg3A-4gnkB:
undetectable		 2dg3A-4gnkB:
7.06
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2

(Pseudomonas
phage phi12) 		no annotation 5 TYR A 353
VAL A 434
ILE A 435
ILE A 362
PHE A 498
 None
 1.32A 2dg3A-4iegA:
undetectable		 2dg3A-4iegA:
10.18
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) 		8 TYR A  26
ASP A  37
PHE A  46
GLU A  54
ILE A  56
TYR A  82
HIS A  87
PHE A  99
 None
 0.83A 2dg3A-4iqcA:
21.9		 2dg3A-4iqcA:
83.18
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) 		8 TYR A  26
PHE A  46
GLU A  54
VAL A  55
ILE A  56
TYR A  82
HIS A  87
PHE A  99
 None
 0.78A 2dg3A-4iqcA:
21.9		 2dg3A-4iqcA:
83.18
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.
4ix1 HYPOTHETICAL PROTEIN

(Rhodococcus
opacus) 		no annotation 5 TYR A 146
GLU A 121
VAL A 120
ILE A 155
ILE A 204
 None
 1.03A 2dg3A-4ix1A:
undetectable		 2dg3A-4ix1A:
20.16
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  57
ASP A  68
PHE A  77
GLU A  85
ILE A 122
 None
 0.87A 2dg3A-4lawA:
19.3		 2dg3A-4lawA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.51A 2dg3A-4lawA:
19.3		 2dg3A-4lawA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
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)
 0.55A 2dg3A-4lawA:
19.3		 2dg3A-4lawA:
24.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4msp PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP14

(Homo sapiens) 		PF00254
(FKBP_C)
PF13499
(EF-hand_7) 		5 TYR A  33
GLU A  64
TRP A  69
TYR A  92
PHE A 108
 None
 0.81A 2dg3A-4mspA:
17.9		 2dg3A-4mspA:
32.64
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) 		8 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A  86
TRP A  89
TYR A 112
PHE A 129
 FK5  A 201 (-4.1A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.0A)
FK5  A 201 (-3.4A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.5A)
FK5  A 201 (-4.5A)
FK5  A 201 (-4.9A)
 0.39A 2dg3A-4nnrA:
16.2		 2dg3A-4nnrA:
40.15
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.
4nsd CALCIUM UPTAKE
PROTEIN 1,
MITOCHONDRIAL

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		5 PHE A 195
GLU A 150
VAL A 153
ILE A 156
ILE A 210
 None
 1.22A 2dg3A-4nsdA:
undetectable		 2dg3A-4nsdA:
15.10
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.
4odm PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Thermus
thermophilus) 		PF00254
(FKBP_C) 		6 TYR A  13
ASP A  23
ILE A  37
TYR A  63
HIS A 119
PHE A 128
 None
 0.95A 2dg3A-4odmA:
12.0		 2dg3A-4odmA:
23.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
HIS A  68
ILE A  71
 FK5  A 201 ( 3.6A)
FK5  A 201 (-3.6A)
FK5  A 201 (-3.9A)
FK5  A 201 (-4.4A)
None
FK5  A 201 ( 4.1A)
 0.85A 2dg3A-4odrA:
13.6		 2dg3A-4odrA:
33.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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  71
PHE A  80
 FK5  A 201 ( 3.6A)
FK5  A 201 (-3.6A)
FK5  A 201 (-3.9A)
FK5  A 201 (-4.4A)
FK5  A 201 ( 4.1A)
FK5  A 201 ( 4.8A)
 0.74A 2dg3A-4odrA:
13.6		 2dg3A-4odrA:
33.61
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
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.76A 2dg3A-4r0xA:
19.1		 2dg3A-4r0xA:
45.08
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.
4zc0 REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		5 GLU A  95
VAL A  98
ILE A 101
ILE A  85
PHE A  40
 None
 1.24A 2dg3A-4zc0A:
undetectable		 2dg3A-4zc0A:
11.38
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.
4zlr BRAIN TUMOR PROTEIN

(Drosophila
melanogaster) 		PF01436
(NHL) 		5 ASP A 899
GLU A 889
VAL A 887
ILE A 886
HIS A 906
 None
 1.24A 2dg3A-4zlrA:
undetectable		 2dg3A-4zlrA:
17.97
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.
5b86 TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 2

(Mus musculus) 		PF06046
(Sec6) 		5 TYR A 600
VAL A 522
ILE A 526
ILE A 580
PHE A 644
 None
 1.24A 2dg3A-5b86A:
undetectable		 2dg3A-5b86A:
10.33
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) 		8 TYR C  36
ASP C  56
PHE C  64
VAL C  73
ILE C  74
TRP C  77
TYR C 100
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)
FK5  C 201 (-4.7A)
 0.38A 2dg3A-5b8iC:
20.0		 2dg3A-5b8iC:
43.51
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) 		5 TYR C  36
PHE C  64
VAL C  73
TRP C  77
ILE C 109
 FK5  C 201 (-4.1A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.5A)
FK5  C 201 (-3.4A)
None
 1.11A 2dg3A-5b8iC:
20.0		 2dg3A-5b8iC:
43.51
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.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 TYR A 261
GLU A 266
VAL A 264
ILE A 229
HIS A 176
 None
 1.26A 2dg3A-5epdA:
undetectable		 2dg3A-5epdA:
15.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i7p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
GLU A  54
VAL A  55
ILE A  56
TRP A  59
TYR A  82
HIS A 137
PHE A 146
 None
 0.87A 2dg3A-5i7pA:
20.5		 2dg3A-5i7pA:
62.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i7p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
PHE A  46
GLU A  54
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 146
 None
 0.48A 2dg3A-5i7pA:
20.5		 2dg3A-5i7pA:
62.99
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) 		10 TYR A  26
ASP A  37
PHE A  46
GLU A  54
VAL A  55
ILE A  56
TRP A  59
TYR A  82
HIS A 138
PHE A 147
 None
 0.90A 2dg3A-5i7qA:
20.7		 2dg3A-5i7qA:
65.81
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) 		6 TYR A  30
ASP A  41
PHE A  50
TRP A  63
ILE A 102
PHE A 114
 None
 0.98A 2dg3A-5i98A:
19.1		 2dg3A-5i98A:
45.83
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 105
PHE A 114
 None
 0.50A 2dg3A-5i98A:
19.1		 2dg3A-5i98A:
45.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		5 TYR A  30
ASP A  41
PHE A  50
VAL A  59
ILE A 106
 None
 1.22A 2dg3A-5i98A:
19.1		 2dg3A-5i98A:
45.83
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) 		8 TYR A  27
ASP A  38
PHE A  47
VAL A  56
ILE A  57
TRP A  60
TYR A  83
PHE A 100
 None
 0.61A 2dg3A-5j6eA:
20.7		 2dg3A-5j6eA:
57.01
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.
5mdh MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 193
GLU A 205
ILE A 166
HIS A 159
ILE A 182
 None
 1.31A 2dg3A-5mdhA:
undetectable		 2dg3A-5mdhA:
15.22
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.
5men PROTEIN TRAV22,HUMAN
NKT TCR ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 GLU D  15
ILE D  74
TYR D  85
HIS D  36
ILE D  44
 None
 1.34A 2dg3A-5menD:
undetectable		 2dg3A-5menD:
17.56
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 5 VAL A 101
ILE A 104
TYR A 114
ILE A 186
PHE A 240
 None
 1.17A 2dg3A-5n81A:
undetectable		 2dg3A-5n81A:
17.31
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.
5nv6 TRANSFORMING GROWTH
FACTOR-BETA-INDUCED
PROTEIN IG-H3

(Homo sapiens) 		PF02469
(Fasciclin) 		5 PHE A 515
GLU A 615
VAL A 627
ILE A 628
ILE A 573
 None
 1.12A 2dg3A-5nv6A:
undetectable		 2dg3A-5nv6A:
11.00
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.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 TYR A  76
ASP A  33
GLU A 111
HIS A 225
PHE A  72
 SAH  A 502 (-4.4A)
JHZ  A 503 ( 4.3A)
SAH  A 502 ( 4.8A)
JHZ  A 503 (-4.1A)
SAH  A 502 (-3.6A)
 1.28A 2dg3A-5t67A:
undetectable		 2dg3A-5t67A:
13.59
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 8 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
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 (-4.6A)
 0.34A 2dg3A-5v8tA:
18.9		 2dg3A-5v8tA:
24.30
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.
5wpi HSVA

(Erwinia
amylovora) 		no annotation 5 PHE A  58
VAL A  40
ILE A  38
ILE A  73
PHE A 345
 PHE  A  58 ( 1.3A)
VAL  A  40 ( 0.5A)
ILE  A  38 ( 0.7A)
ILE  A  73 ( 0.6A)
PHE  A 345 ( 1.3A)
 1.25A 2dg3A-5wpiA:
undetectable		 2dg3A-5wpiA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wpi HSVA

(Erwinia
amylovora) 		no annotation 5 TYR A 296
PHE A  58
VAL A  40
ILE A  38
PHE A 345
 TYR  A 296 ( 1.3A)
PHE  A  58 ( 1.3A)
VAL  A  40 ( 0.5A)
ILE  A  38 ( 0.7A)
PHE  A 345 ( 1.3A)
 1.31A 2dg3A-5wpiA:
undetectable		 2dg3A-5wpiA:
16.36
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) 		7 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.11A 2dg3A-5xb0A:
15.2		 2dg3A-5xb0A:
32.12
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) 		7 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
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
 0.67A 2dg3A-5xb0A:
15.2		 2dg3A-5xb0A:
32.12
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) 		5 TYR A 147
ASP A 158
VAL A 171
TRP A 175
ILE A 207
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
 1.34A 2dg3A-5xb0A:
15.2		 2dg3A-5xb0A:
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.
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
 1.25A 2dg3A-5z0yA:
undetectable		 2dg3A-5z0yA:
17.59
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 5 TYR A  38
ASP A  49
PHE A  58
GLU A  66
ILE A 103
 None
 1.11A 2dg3A-6b4pA:
19.4		 2dg3A-6b4pA:
41.73
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
GLU A  66
VAL A  67
ILE A  68
TRP A  71
TYR A  94
PHE A 111
 None
 0.68A 2dg3A-6b4pA:
19.4		 2dg3A-6b4pA:
41.73
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.
6bi4 DTDP-GLUCOSE
4,6-DEHYDRATASE

(Bacillus
anthracis) 		no annotation 5 TYR A 181
PHE A 299
GLU A 251
VAL A 252
ILE A 256
 None
 1.32A 2dg3A-6bi4A:
undetectable		 2dg3A-6bi4A:
15.00