SIMILAR PATTERNS OF AMINO ACIDS FOR 2DG4_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 TYR A 131
ASP A 142
VAL A 158
ILE A 159
TYR A 185
PHE A 202
 None
 0.56A 2dg4A-1fd9A:
15.7		 2dg4A-1fd9A:
33.33
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 ASP A  37
TYR A  82
HIS A  87
ILE A  90
PHE A  99
 None
 0.83A 2dg4A-1fkkA:
21.7		 2dg4A-1fkkA:
96.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fkk FK506 BINDING
PROTEIN

(Bos taurus) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
PHE A  46
GLU A  54
VAL A  55
ILE A  56
TYR A  82
ILE A  90
PHE A  99
 None
 0.51A 2dg4A-1fkkA:
21.7		 2dg4A-1fkkA:
96.26
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
PHE A  46
GLU A  54
VAL A  55
ILE A  91
 None
 1.01A 2dg4A-1fkkA:
21.7		 2dg4A-1fkkA:
96.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 PHE A 356
GLU A 365
VAL A 366
ILE A 370
ILE A 316
 None
 1.25A 2dg4A-1hlgA:
undetectable		 2dg4A-1hlgA:
15.04
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
ASP A 103
VAL A 119
ILE A 120
TYR A 146
PHE A 163
 None
 0.63A 2dg4A-1jvwA:
15.0		 2dg4A-1jvwA:
41.27
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
GLU A 118
VAL A 119
ILE A 120
TYR A 146
PHE A 163
 None
 0.37A 2dg4A-1jvwA:
15.0		 2dg4A-1jvwA:
41.27
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) 		5 TYR A  92
PHE A 114
ILE A 120
TYR A 146
PHE A 163
 None
 1.01A 2dg4A-1jvwA:
15.0		 2dg4A-1jvwA:
41.27
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 TYR A  57
PHE A  77
ILE A  87
TYR A 113
PHE A 130
 None
 0.86A 2dg4A-1kt1A:
15.4		 2dg4A-1kt1A:
23.40
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 TYR A  57
PHE A  77
VAL A  86
TYR A 113
PHE A 130
 None
 0.72A 2dg4A-1kt1A:
15.4		 2dg4A-1kt1A:
23.40
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) 		8 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
 0.82A 2dg4A-1n1aA:
17.6		 2dg4A-1n1aA:
44.96
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
 1.05A 2dg4A-1n1aA:
17.6		 2dg4A-1n1aA:
44.96
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.
1osy IMMUNOMODULATORY
PROTEIN FIP-FVE

(Flammulina
velutipes) 		PF09259
(Fve) 		5 TYR A  79
VAL A  53
ILE A  91
ILE A 108
PHE A  76
 None
 1.23A 2dg4A-1osyA:
undetectable		 2dg4A-1osyA:
22.31
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) 		6 TYR A 135
ASP A 146
VAL A 171
ILE A 172
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 (-4.6A)
None
 0.33A 2dg4A-1pbkA:
18.8		 2dg4A-1pbkA:
42.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 TYR A 146
ASP A 157
VAL A 173
ILE A 174
TYR A 200
PHE A 216
 None
 0.52A 2dg4A-1q6hA:
15.5		 2dg4A-1q6hA:
31.58
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) 		7 TYR A  40
ASP A  51
PHE A  60
VAL A  69
ILE A  70
TYR A  96
PHE A 113
 None
 0.62A 2dg4A-1r9hA:
19.4		 2dg4A-1r9hA:
43.80
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) 		5 TYR A  40
ASP A  51
PHE A  60
VAL A  69
ILE A 105
 None
 1.12A 2dg4A-1r9hA:
19.4		 2dg4A-1r9hA:
43.80
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.
1t11 TRIGGER FACTOR

(Vibrio cholerae) 		PF00254
(FKBP_C)
PF05697
(Trigger_N)
PF05698
(Trigger_C) 		5 PHE A 185
ILE A 195
PHE A 198
TYR A 221
PHE A 233
 None
 0.84A 2dg4A-1t11A:
undetectable		 2dg4A-1t11A:
12.76
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) 		7 TYR A  37
ASP A  48
GLU A  65
VAL A  66
ILE A  67
TYR A  99
PHE A 121
 None
 0.48A 2dg4A-1u79A:
16.9		 2dg4A-1u79A:
36.15
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) 		5 TYR A  37
ASP A  48
GLU A  65
VAL A  66
ILE A 113
 None
 1.07A 2dg4A-1u79A:
16.9		 2dg4A-1u79A:
36.15
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.
1uf2 OUTER CAPSID PROTEIN
P8

(Rice dwarf
virus) 		no annotation 5 PHE P 414
ILE P 100
PHE P  99
TYR P  80
PHE P  71
 None
 1.07A 2dg4A-1uf2P:
undetectable		 2dg4A-1uf2P:
12.75
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) 		7 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
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 ( 4.7A)
None
 0.40A 2dg4A-1yatA:
19.9		 2dg4A-1yatA:
56.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 TYR A 213
ASP A 217
VAL A 113
ILE A 229
PHE A 159
 MLR  A2913 ( 3.8A)
None
None
None
MLR  A2913 (-4.6A)
 1.06A 2dg4A-2fncA:
undetectable		 2dg4A-2fncA:
15.28
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.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		5 TYR A 401
ILE A 175
PHE A 404
HIS A 173
PHE A 405
 None
 1.18A 2dg4A-2ip1A:
undetectable		 2dg4A-2ip1A:
15.40
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.
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
 1.02A 2dg4A-2iv8A:
undetectable		 2dg4A-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
ILE A  92
 None
 1.22A 2dg4A-2lpvA:
17.8		 2dg4A-2lpvA:
71.03
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.
2p17 PIRIN-LIKE PROTEIN

(Geobacillus
kaustophilus) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 TYR A 240
GLU A  61
VAL A 116
PHE A  39
PHE A 191
 None
 1.12A 2dg4A-2p17A:
undetectable		 2dg4A-2p17A:
18.44
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) 		7 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A  86
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)
None
None
 0.81A 2dg4A-2pbcA:
15.1		 2dg4A-2pbcA:
46.73
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) 		5 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A 121
 PEG  A 201 (-4.4A)
None
PEG  A 201 ( 3.9A)
PEG  A 201 (-3.6A)
None
 0.95A 2dg4A-2pbcA:
15.1		 2dg4A-2pbcA:
46.73
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) 		8 TYR A  44
ASP A  56
PHE A  65
GLU A  73
VAL A  74
ILE A  75
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 (-4.7A)
FK5  A 501 (-4.8A)
 0.44A 2dg4A-2vn1A:
19.3		 2dg4A-2vn1A:
39.53
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
PHE A  65
GLU A  73
VAL A  74
ILE A 110
 FK5  A 501 (-4.1A)
FK5  A 501 (-4.1A)
None
FK5  A 501 (-3.5A)
None
 1.04A 2dg4A-2vn1A:
19.3		 2dg4A-2vn1A:
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.
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
 1.01A 2dg4A-2vxpA:
undetectable		 2dg4A-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) 		7 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
TYR A  89
PHE A 106
 None
 0.68A 2dg4A-2y78A:
17.5		 2dg4A-2y78A:
46.97
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
 1.12A 2dg4A-2y78A:
17.5		 2dg4A-2y78A:
46.97
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.
3cq9 UNCHARACTERIZED
PROTEIN LP_1622

(Lactobacillus
plantarum) 		PF04263
(TPK_catalytic) 		5 ASP A  95
ILE A 129
HIS A  98
ILE A   4
PHE A  89
 None
 1.17A 2dg4A-3cq9A:
undetectable		 2dg4A-3cq9A:
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 PHE A  55
VAL A 386
PHE A 288
ILE A 234
PHE A 151
 None
None
None
CSO  A 191 ( 4.8A)
None
 1.11A 2dg4A-3iv0A:
undetectable		 2dg4A-3iv0A:
12.27
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.
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
 1.26A 2dg4A-3k4uA:
undetectable		 2dg4A-3k4uA:
24.23
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.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 PHE A 130
GLU A 159
VAL A 156
ILE A 153
PHE A 125
 None
 1.26A 2dg4A-3lkiA:
undetectable		 2dg4A-3lkiA:
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.
3lti DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Escherichia
coli) 		PF04561
(RNA_pol_Rpb2_2) 		5 TYR A 291
GLU A 240
ILE A 285
ILE A 269
PHE A 253
 MLY  A 295 ( 4.5A)
None
None
None
None
 1.24A 2dg4A-3ltiA:
undetectable		 2dg4A-3ltiA:
16.16
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) 		7 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
 0.74A 2dg4A-3o5dA:
18.2		 2dg4A-3o5dA:
32.20
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
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
 0.78A 2dg4A-3o5eA:
18.2		 2dg4A-3o5eA:
38.89
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) 		5 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A 122
 None
 1.05A 2dg4A-3o5eA:
18.2		 2dg4A-3o5eA:
38.89
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) 		7 TYR A  43
ASP A  55
PHE A  64
GLU A  72
VAL A  73
ILE A  74
PHE A 117
 None
 0.62A 2dg4A-3pa7A:
18.8		 2dg4A-3pa7A:
38.64
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
 1.02A 2dg4A-3pa7A:
18.8		 2dg4A-3pa7A:
38.64
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) 		7 TYR A  43
PHE A  64
GLU A  72
VAL A  73
ILE A  74
TYR A 100
PHE A 117
 None
 0.48A 2dg4A-3pa7A:
18.8		 2dg4A-3pa7A:
38.64
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.
3v1z ENDONUCLEASE
BSE634IR

(Geobacillus
stearothermophilus) 		PF07832
(Bse634I) 		5 ASP A 173
PHE A  27
GLU A  80
VAL A  81
ILE A  85
 None
 1.18A 2dg4A-3v1zA:
undetectable		 2dg4A-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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 GLU A 528
VAL A 531
ILE A 534
PHE A1018
HIS A 537
 None
 1.15A 2dg4A-3w9iA:
undetectable		 2dg4A-3w9iA:
7.41
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.
3wtr UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF04315
(EpmC) 		5 ILE A  58
PHE A 108
TYR A  54
HIS A   5
PHE A 157
 None
 1.18A 2dg4A-3wtrA:
undetectable		 2dg4A-3wtrA:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		5 TYR A 313
ASP A 324
PHE A 332
ILE A 342
PHE A 384
 None
 0.86A 2dg4A-4bf8A:
15.9		 2dg4A-4bf8A:
37.82
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 TYR A 313
ASP A 324
VAL A 341
ILE A 342
TYR A 368
PHE A 384
 None
 0.76A 2dg4A-4bf8A:
15.9		 2dg4A-4bf8A:
37.82
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 TYR A 313
GLU A 340
VAL A 341
ILE A 342
TYR A 368
PHE A 384
 None
 1.14A 2dg4A-4bf8A:
15.9		 2dg4A-4bf8A:
37.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		5 TYR A 313
PHE A 332
GLU A 340
ILE A 342
PHE A 384
 None
 1.16A 2dg4A-4bf8A:
15.9		 2dg4A-4bf8A:
37.82
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.
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)
 1.23A 2dg4A-4dxeA:
undetectable		 2dg4A-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) 		7 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
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 (-4.7A)
FK5  A 201 (-4.8A)
 0.36A 2dg4A-4dz3A:
18.3		 2dg4A-4dz3A:
53.10
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		5 PHE A 155
VAL A 138
ILE A 170
PHE A 168
PHE A 106
 None
 1.23A 2dg4A-4fgmA:
undetectable		 2dg4A-4fgmA:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.14A 2dg4A-4fqgA:
undetectable		 2dg4A-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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		5 VAL A 211
ILE A 277
PHE A 161
TYR A 275
PHE A 137
 None
 1.14A 2dg4A-4g76A:
undetectable		 2dg4A-4g76A:
15.89
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.
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
 0.91A 2dg4A-4gnkB:
undetectable		 2dg4A-4gnkB:
7.06
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) 		9 TYR A  26
ASP A  37
PHE A  46
GLU A  54
ILE A  56
PHE A  59
TYR A  82
HIS A  87
PHE A  99
 None
 0.81A 2dg4A-4iqcA:
22.0		 2dg4A-4iqcA:
84.11
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) 		9 TYR A  26
PHE A  46
GLU A  54
VAL A  55
ILE A  56
PHE A  59
TYR A  82
HIS A  87
PHE A  99
 None
 0.71A 2dg4A-4iqcA:
22.0		 2dg4A-4iqcA:
84.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  26
PHE A  46
GLU A  54
VAL A  55
PHE A  59
ILE A  91
PHE A  99
 None
 1.31A 2dg4A-4iqcA:
22.0		 2dg4A-4iqcA:
84.11
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.
4ix1 HYPOTHETICAL PROTEIN

(Rhodococcus
opacus) 		no annotation 5 TYR A 146
GLU A 121
VAL A 120
ILE A 155
ILE A 204
 None
 1.10A 2dg4A-4ix1A:
undetectable		 2dg4A-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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 GLU A 247
VAL A 250
ILE A 253
ILE A 122
PHE A 149
 None
 1.26A 2dg4A-4j6cA:
undetectable		 2dg4A-4j6cA:
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.
4k0x BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 PHE A  81
VAL A 147
ILE A 150
PHE A 152
PHE A 180
 None
 0.73A 2dg4A-4k0xA:
undetectable		 2dg4A-4k0xA:
20.75
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 (-4.3A)
 0.56A 2dg4A-4lawA:
18.7		 2dg4A-4lawA:
23.98
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(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
None
None
None
DMS  A 304 (-3.5A)
None
 0.84A 2dg4A-4lawA:
18.7		 2dg4A-4lawA:
23.98
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
None
DMS  A 304 (-4.3A)
 0.57A 2dg4A-4lawA:
18.7		 2dg4A-4lawA:
23.98
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) 		7 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A  86
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 (-4.5A)
FK5  A 201 (-4.9A)
 0.40A 2dg4A-4nnrA:
15.7		 2dg4A-4nnrA:
39.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 2dg4A-4odmA:
11.9		 2dg4A-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)
 0.72A 2dg4A-4odrA:
13.4		 2dg4A-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)
 0.55A 2dg4A-4odrA:
13.4		 2dg4A-4odrA:
33.61
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.
4q16 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Deinococcus
radiodurans) 		PF02540
(NAD_synthase) 		5 ASP A  40
GLU A  72
VAL A  71
PHE A  50
HIS A  79
 None
None
None
None
SO4  A 302 (-3.8A)
 1.24A 2dg4A-4q16A:
undetectable		 2dg4A-4q16A:
17.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
PHE A 130
 None
 0.66A 2dg4A-4r0xA:
18.6		 2dg4A-4r0xA:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0x PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
 0.65A 2dg4A-4r0xA:
18.6		 2dg4A-4r0xA:
44.26
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.26A 2dg4A-4zc0A:
undetectable		 2dg4A-4zc0A:
11.98
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.
5a6f GATING RING OF
POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a) 		5 TYR C 467
ASP C 483
PHE C 956
VAL C 353
PHE C 433
 None
 1.12A 2dg4A-5a6fC:
undetectable		 2dg4A-5a6fC:
9.43
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.
5apm VP1
VP3

(Parechovirus A) 		no annotation 5 PHE A 208
VAL A  68
ILE A  71
PHE A  72
TYR B 135
 None
 1.26A 2dg4A-5apmA:
undetectable		 2dg4A-5apmA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2dg4A-5b86A:
undetectable		 2dg4A-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) 		7 TYR C  36
ASP C  56
PHE C  64
VAL C  73
ILE C  74
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 (-4.5A)
FK5  C 201 (-4.7A)
 0.39A 2dg4A-5b8iC:
19.4		 2dg4A-5b8iC:
42.75
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.
5bok FERREDOXIN

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske) 		5 ASP A  42
ILE A  62
PHE A  71
TYR A  32
ILE A  29
 None
 1.25A 2dg4A-5bokA:
undetectable		 2dg4A-5bokA:
18.64
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.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		5 PHE A 100
GLU A  49
VAL A  51
ILE A  52
PHE A  53
 None
 1.23A 2dg4A-5d5tA:
undetectable		 2dg4A-5d5tA:
17.78
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) 		7 ASP A  37
GLU A  54
VAL A  55
ILE A  56
TYR A  82
HIS A 137
PHE A 146
 None
 0.93A 2dg4A-5i7pA:
19.9		 2dg4A-5i7pA:
62.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i7p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  26
ASP A  37
PHE A  46
GLU A  54
VAL A  55
ILE A  56
TYR A  82
PHE A 146
 None
 0.48A 2dg4A-5i7pA:
19.9		 2dg4A-5i7pA:
62.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i7q PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE 16
KDA PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE,PEPTIDYL-P
ROLYL CIS-TRANS
ISOMERASE FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
PHE A  46
GLU A  54
VAL A  55
ILE A  56
TYR A  82
HIS A 138
PHE A 147
 None
 0.93A 2dg4A-5i7qA:
19.9		 2dg4A-5i7qA:
65.16
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) 		8 TYR A  30
ASP A  41
PHE A  50
VAL A  59
ILE A  60
TYR A  97
ILE A 105
PHE A 114
 None
 0.57A 2dg4A-5i98A:
18.5		 2dg4A-5i98A:
45.00
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
PHE A  50
VAL A  59
ILE A 102
PHE A 114
 None
 1.06A 2dg4A-5i98A:
18.5		 2dg4A-5i98A:
45.00
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) 		7 TYR A  27
ASP A  38
PHE A  47
VAL A  56
ILE A  57
TYR A  83
PHE A 100
 None
 0.59A 2dg4A-5j6eA:
20.3		 2dg4A-5j6eA:
56.07
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) 		5 TYR A  27
ASP A  38
PHE A  47
VAL A  56
ILE A  92
 None
 1.02A 2dg4A-5j6eA:
20.3		 2dg4A-5j6eA:
56.07
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.
5jwb TYPE II
NADH:UBIQUINONE
OXIDOREDUCTASE

(Plasmodium
falciparum) 		PF07992
(Pyr_redox_2) 		5 PHE A 531
ILE A 223
PHE A 222
ILE A 234
PHE A 180
 None
ACT  A 610 ( 4.5A)
None
None
None
 1.16A 2dg4A-5jwbA:
undetectable		 2dg4A-5jwbA:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkf POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		5 TYR A 660
GLU A 648
VAL A 623
PHE A 619
ILE A 633
 None
 1.21A 2dg4A-5mkfA:
undetectable		 2dg4A-5mkfA:
7.72
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.
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
 1.11A 2dg4A-5n81A:
undetectable		 2dg4A-5n81A:
18.27
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.
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
 1.11A 2dg4A-5nv6A:
undetectable		 2dg4A-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.
5v7q 50S RIBOSOMAL
PROTEIN L19

(Mycobacterium
tuberculosis) 		PF01245
(Ribosomal_L19) 		5 VAL P  29
ILE P  80
PHE P  73
HIS P  82
PHE P  58
 None
 1.25A 2dg4A-5v7qP:
undetectable		 2dg4A-5v7qP:
26.61
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 7 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
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 (-4.6A)
8ZV  A 201 (-4.6A)
 0.32A 2dg4A-5v8tA:
18.3		 2dg4A-5v8tA:
24.30
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 TYR A 147
ASP A 158
VAL A 171
ILE A 172
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)
None
None
 0.70A 2dg4A-5xb0A:
14.9		 2dg4A-5xb0A:
31.39
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.
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
 1.23A 2dg4A-5z0yA:
undetectable		 2dg4A-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 8 TYR A  38
ASP A  49
PHE A  58
GLU A  66
VAL A  67
ILE A  68
TYR A  94
PHE A 111
 None
 0.66A 2dg4A-6b4pA:
19.0		 2dg4A-6b4pA:
40.94
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 6 TYR A  38
ASP A  49
PHE A  58
GLU A  66
VAL A  67
ILE A 103
 None
 1.05A 2dg4A-6b4pA:
19.0		 2dg4A-6b4pA:
40.94
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 6 TYR A  38
PHE A  58
VAL A  67
ILE A  68
ILE A  99
PHE A 111
 None
 1.20A 2dg4A-6b4pA:
19.0		 2dg4A-6b4pA:
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.
6c8s LOGANIC ACID
O-METHYLTRANSFERASE

(Catharanthus
roseus) 		no annotation 5 GLU A  93
VAL A  92
ILE A  73
PHE A 133
HIS A 156
 None
 1.16A 2dg4A-6c8sA:
undetectable		 2dg4A-6c8sA:
22.64