SIMILAR PATTERNS OF AMINO ACIDS FOR 4DRH_D_RAPD201

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) 		7 ASP A 142
GLN A 157
VAL A 158
ILE A 159
TYR A 185
ILE A 194
PHE A 202
 None
 1.00A 4drhD-1fd9A:
16.2		 4drhD-1fd9A:
25.58
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.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 ASP A 142
PHE A 153
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 1.13A 4drhD-1fd9A:
16.2		 4drhD-1fd9A:
25.58
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.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		8 TYR A 131
ASP A 142
VAL A 158
ILE A 159
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 0.60A 4drhD-1fd9A:
16.2		 4drhD-1fd9A:
25.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fkk FK506 BINDING
PROTEIN

(Bos taurus) 		PF00254
(FKBP_C) 		9 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 None
 0.46A 4drhD-1fkkA:
17.6		 4drhD-1fkkA:
40.28
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.
1gxc SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00498
(FHA) 		5 TYR A 123
GLN A 100
VAL A 198
ILE A 189
PHE A 115
 None
 1.20A 4drhD-1gxcA:
undetectable		 4drhD-1gxcA:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		8 TYR A  92
ASP A 103
VAL A 119
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.61A 4drhD-1jvwA:
15.6		 4drhD-1jvwA:
30.07
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
PHE A 114
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.95A 4drhD-1jvwA:
15.6		 4drhD-1jvwA:
30.07
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.
1koa TWITCHIN

(Caenorhabditis
elegans) 		PF00069
(Pkinase)
PF07679
(I-set) 		5 TYR A5942
ASP A6004
HIS A5941
TYR A5926
PHE A5968
 None
 1.21A 4drhD-1koaA:
undetectable		 4drhD-1koaA:
14.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 ILE A  87
TRP A  90
TYR A 113
PRO A 123
PHE A 130
 None
 1.20A 4drhD-1kt1A:
17.3		 4drhD-1kt1A:
90.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
PHE A  77
GLN A  85
ILE A  87
TRP A  90
PHE A 130
 None
 0.86A 4drhD-1kt1A:
17.3		 4drhD-1kt1A:
90.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
PHE A  77
GLN A  85
VAL A  86
TRP A  90
ILE A 122
 None
 0.99A 4drhD-1kt1A:
17.3		 4drhD-1kt1A:
90.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
PHE A  77
GLN A  85
VAL A  86
TRP A  90
PHE A 130
 None
 0.80A 4drhD-1kt1A:
17.3		 4drhD-1kt1A:
90.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
PHE A  77
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.85A 4drhD-1kt1A:
17.3		 4drhD-1kt1A:
90.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 1.39A 4drhD-1kt1A:
17.3		 4drhD-1kt1A:
90.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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 4drhD-1kt1A:
17.3		 4drhD-1kt1A:
90.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n1a FKBP52

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.64A 4drhD-1n1aA:
20.8		 4drhD-1n1aA:
61.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pbk FKBP25

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.38A 4drhD-1pbkA:
17.3		 4drhD-1pbkA:
38.35
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) 		8 TYR A 146
ASP A 157
VAL A 173
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 0.56A 4drhD-1q6hA:
16.0		 4drhD-1q6hA:
30.40
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 VAL A 173
ILE A 174
TRP A 177
TYR A 200
PRO A 206
ILE A 208
 None
 1.39A 4drhD-1q6hA:
16.0		 4drhD-1q6hA:
30.40
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 ASP A  51
TYR A  96
PRO A 103
ILE A 105
PHE A 113
 None
 1.24A 4drhD-1r9hA:
21.5		 4drhD-1r9hA:
46.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r9h FK506 BINDING
PROTEIN FAMILY

(Caenorhabditis
elegans) 		PF00254
(FKBP_C) 		9 TYR A  40
ASP A  51
PHE A  60
VAL A  69
ILE A  70
TRP A  73
TYR A  96
ILE A 105
PHE A 113
 None
 0.56A 4drhD-1r9hA:
21.5		 4drhD-1r9hA:
46.36
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 PHE A 349
VAL A 466
ILE A 465
TYR A 454
ILE A 458
 None
 1.12A 4drhD-1ry2A:
undetectable		 4drhD-1ry2A:
10.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u79 FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Arabidopsis
thaliana) 		PF00254
(FKBP_C) 		8 TYR A  37
ASP A  48
VAL A  66
ILE A  67
TRP A  70
TYR A  99
ILE A 113
PHE A 121
 None
 0.48A 4drhD-1u79A:
17.2		 4drhD-1u79A:
35.06
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.
1xfs CONSERVED
HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF08327
(AHSA1) 		5 HIS A 144
VAL A 117
ILE A 118
TYR A 129
ILE A 157
 None
 1.30A 4drhD-1xfsA:
undetectable		 4drhD-1xfsA:
22.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yat FK506 BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		10 TYR A  26
ASP A  37
PHE A  46
GLN A  54
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
FK5  A 108 ( 4.0A)
None
FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 3.6A)
FK5  A 108 ( 4.7A)
None
None
 0.63A 4drhD-1yatA:
19.2		 4drhD-1yatA:
38.89
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 VAL A  55
ILE A  56
TYR A  82
PRO A  88
ILE A  91
 FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 4.7A)
None
None
 1.15A 4drhD-1yatA:
19.2		 4drhD-1yatA:
38.89
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) 		6 TYR A  27
PHE A  47
VAL A  56
ILE A  57
TRP A  60
ILE A  92
 None
 1.06A 4drhD-2lpvA:
15.0		 4drhD-2lpvA:
38.03
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) 		10 TYR A  56
ASP A  67
PHE A  76
GLN A  84
VAL A  85
ILE A  86
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 PEG  A 201 (-4.4A)
None
PEG  A 201 ( 3.9A)
None
PEG  A 201 (-3.6A)
PEG  A 201 (-3.8A)
PEG  A 201 (-3.7A)
None
None
None
 0.80A 4drhD-2pbcA:
13.9		 4drhD-2pbcA:
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.
2v15 DNA PROTECTION
DURING STARVATION
PROTEIN

(Streptococcus
suis) 		PF00210
(Ferritin) 		5 TYR A 124
ASP A  35
GLN A 130
ILE A 155
ILE A  69
 None
 1.25A 4drhD-2v15A:
undetectable		 4drhD-2v15A:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 ASP A  66
VAL A  82
ILE A  83
TRP A  86
PHE A 126
 RAP  A 138 (-2.7A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-2.3A)
RAP  A 138 ( 4.7A)
 0.82A 4drhD-2vcdA:
15.0		 4drhD-2vcdA:
27.78
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.
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)
 0.82A 4drhD-2vcdA:
15.0		 4drhD-2vcdA:
27.78
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.
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)
 0.70A 4drhD-2vcdA:
15.0		 4drhD-2vcdA:
27.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vn1 70 KDA
PEPTIDYLPROLYL
ISOMERASE

(Plasmodium
falciparum) 		PF00254
(FKBP_C) 		9 TYR A  44
ASP A  56
PHE A  65
VAL A  74
ILE A  75
TRP A  78
TYR A 101
ILE A 110
PHE A 118
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
FK5  A 501 (-4.1A)
FK5  A 501 (-3.5A)
FK5  A 501 (-4.3A)
FK5  A 501 (-3.3A)
FK5  A 501 (-4.7A)
None
FK5  A 501 (-4.8A)
 0.48A 4drhD-2vn1A:
19.9		 4drhD-2vn1A:
46.53
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 ASP A 656
GLN A 712
ILE A 691
PRO A 703
ILE A 658
 None
 1.10A 4drhD-2vsaA:
undetectable		 4drhD-2vsaA:
9.87
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.
2wmm CHROMOSOME PARTITION
PROTEIN MUKB

(Escherichia
coli) 		PF16330
(MukB_hinge) 		5 TYR A 690
ASP A 746
PHE A 778
ILE A 737
PHE A 744
 None
 1.30A 4drhD-2wmmA:
undetectable		 4drhD-2wmmA:
24.43
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
ASP A  44
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.64A 4drhD-2y78A:
17.5		 4drhD-2y78A:
42.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 ASP A 286
PHE A 204
ILE A 210
ILE A 181
PHE A 250
 PLP  A 900 (-3.2A)
PLP  A 900 (-4.2A)
None
None
None
 1.12A 4drhD-2zy2A:
undetectable		 4drhD-2zy2A:
14.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b7x FK506-BINDING
PROTEIN 6

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  61
ASP A  73
TYR A 118
ILE A 127
PHE A 135
 None
 0.88A 4drhD-3b7xA:
17.3		 4drhD-3b7xA:
37.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ce1 SUPEROXIDE DISMUTASE
[CU-ZN]

(Naganishia
liquefaciens) 		PF00080
(Sod_Cu) 		5 ASP A  87
HIS A  75
VAL A 122
ILE A 121
ILE A 103
 ZN  A 202 (-2.1A)
ZN  A 202 (-3.1A)
None
None
None
 1.10A 4drhD-3ce1A:
undetectable		 4drhD-3ce1A:
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		5 ASP A 286
PHE A 204
ILE A 210
ILE A 181
PHE A 250
 PLP  A 534 (-2.8A)
PLP  A 534 (-3.7A)
None
None
None
 1.14A 4drhD-3fddA:
undetectable		 4drhD-3fddA:
13.39
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.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 TYR A 208
PHE A 218
ILE A  50
PRO A 350
ILE A 263
 None
 1.13A 4drhD-3fdhA:
undetectable		 4drhD-3fdhA:
13.88
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.
3hmc PUTATIVE PROPHAGE
LAMBDABA04, GLYCOSYL
HYDROLASE, FAMILY 25

(Bacillus
anthracis) 		PF01183
(Glyco_hydro_25) 		5 ASP A  27
HIS A   3
ILE A 171
PRO A  57
ILE A  29
 None
 1.14A 4drhD-3hmcA:
undetectable		 4drhD-3hmcA:
22.28
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.
3ibp CHROMOSOME PARTITION
PROTEIN MUKB

(Escherichia
coli) 		PF16330
(MukB_hinge) 		5 TYR A 690
ASP A 746
PHE A 778
ILE A 737
PHE A 744
 None
 1.29A 4drhD-3ibpA:
undetectable		 4drhD-3ibpA:
19.60
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.
3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL

(Homo sapiens) 		PF00005
(ABC_tran) 		5 GLN A 617
VAL A 613
ILE A 590
PRO A 745
ILE A 666
 None
 1.13A 4drhD-3nh9A:
undetectable		 4drhD-3nh9A:
19.74
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) 		10 TYR A  57
ASP A  68
PHE A  77
GLN A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.81A 4drhD-3o5dA:
23.6		 4drhD-3o5dA:
99.31
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) 		10 TYR A  57
ASP A  68
PHE A  77
GLN A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.76A 4drhD-3o5eA:
24.1		 4drhD-3o5eA:
99.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pa7 70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE

(Plasmodium
vivax) 		PF00254
(FKBP_C) 		9 TYR A  43
ASP A  55
PHE A  64
VAL A  73
ILE A  74
TRP A  77
TYR A 100
ILE A 109
PHE A 117
 None
 0.63A 4drhD-3pa7A:
19.5		 4drhD-3pa7A:
44.14
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.24A 4drhD-3um6A:
undetectable		 4drhD-3um6A:
14.06
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 ASP A 324
GLN A 338
ILE A 342
TRP A 345
TYR A 368
PHE A 384
 None
 0.97A 4drhD-4bf8A:
16.5		 4drhD-4bf8A:
39.44
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 ASP A 324
PHE A 332
GLN A 338
ILE A 342
TRP A 345
PHE A 384
 None
 0.97A 4drhD-4bf8A:
16.5		 4drhD-4bf8A:
39.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		7 ASP A 324
VAL A 341
ILE A 342
TRP A 345
TYR A 368
ILE A 376
PHE A 384
 None
 0.72A 4drhD-4bf8A:
16.5		 4drhD-4bf8A:
39.44
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
 0.77A 4drhD-4bf8A:
16.5		 4drhD-4bf8A:
39.44
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
 0.75A 4drhD-4bf8A:
16.5		 4drhD-4bf8A:
39.44
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
 0.52A 4drhD-4dipA:
16.0		 4drhD-4dipA:
31.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dz3 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		9 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 FK5  A 201 ( 3.9A)
FK5  A 201 (-3.5A)
FK5  A 201 (-4.1A)
FK5  A 201 ( 3.6A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.7A)
None
FK5  A 201 (-4.8A)
 0.46A 4drhD-4dz3A:
17.9		 4drhD-4dz3A:
41.84
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.
4gqa NAD BINDING
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 TYR A  23
ASP A  79
HIS A  19
VAL A 349
ILE A 352
 None
 1.08A 4drhD-4gqaA:
undetectable		 4drhD-4gqaA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h09 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Eubacterium
ventriosum) 		PF13306
(LRR_5) 		5 PHE A 337
VAL A 346
ILE A 369
ILE A 375
PHE A 383
 None
 1.18A 4drhD-4h09A:
undetectable		 4drhD-4h09A:
17.02
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.
4h6q PROLINE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF01619
(Pro_dh) 		5 TYR A 278
ASP A  60
GLN A 166
VAL A 164
ILE A 132
 TFB  A2002 ( 3.5A)
None
FAD  A2001 (-3.7A)
FAD  A2001 (-4.1A)
None
 1.24A 4drhD-4h6qA:
undetectable		 4drhD-4h6qA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  26
ASP A  37
PHE A  46
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.72A 4drhD-4iqcA:
17.4		 4drhD-4iqcA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		7 TYR A  26
PHE A  46
VAL A  55
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.64A 4drhD-4iqcA:
17.4		 4drhD-4iqcA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.65A 4drhD-4lawA:
21.1		 4drhD-4lawA:
59.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.44A 4drhD-4lawA:
21.1		 4drhD-4lawA:
59.72
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.
4msp PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP14

(Homo sapiens) 		PF00254
(FKBP_C)
PF13499
(EF-hand_7) 		5 TYR A  33
TRP A  69
TYR A  92
ILE A 100
PHE A 108
 None
 0.46A 4drhD-4mspA:
16.3		 4drhD-4mspA:
27.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nnr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2

(Homo sapiens) 		PF00254
(FKBP_C) 		10 TYR A  56
ASP A  67
PHE A  76
GLN A  84
VAL A  85
ILE A  86
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 FK5  A 201 (-4.1A)
FK5  A 201 (-3.4A)
FK5  A 201 (-4.0A)
None
FK5  A 201 (-3.4A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.5A)
FK5  A 201 (-4.5A)
None
FK5  A 201 (-4.9A)
 0.57A 4drhD-4nnrA:
14.4		 4drhD-4nnrA:
43.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o3m BLOOM SYNDROME
PROTEIN

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF00570
(HRDC)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 PHE A 960
GLN A 941
VAL A 942
ILE A 943
ILE A 953
 None
 1.05A 4drhD-4o3mA:
undetectable		 4drhD-4o3mA:
11.50
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.
4odm PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Thermus
thermophilus) 		PF00254
(FKBP_C) 		5 TYR A  13
ASP A  23
ILE A  37
TYR A  63
PHE A 128
 None
 0.70A 4drhD-4odmA:
10.4		 4drhD-4odmA:
19.14
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.
4odr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA

(Homo sapiens;
Thermus
thermophilus) 		PF00254
(FKBP_C) 		6 TYR A  13
ASP A  23
ILE A  37
TYR A  63
ILE A  72
PHE A  80
 FK5  A 201 ( 3.6A)
FK5  A 201 (-3.6A)
FK5  A 201 (-3.9A)
FK5  A 201 (-4.4A)
None
FK5  A 201 ( 4.8A)
 0.52A 4drhD-4odrA:
11.8		 4drhD-4odrA:
22.64
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.
4p9k TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Verminephrobacter
eiseniae) 		PF03480
(DctP) 		5 TYR A 190
HIS A 186
GLN A 318
VAL A 315
PHE A 193
 None
 1.12A 4drhD-4p9kA:
undetectable		 4drhD-4p9kA:
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.
4pyz UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF12436
(USP7_ICP0_bdg) 		5 HIS A 704
GLN A 574
VAL A 570
ILE A 569
ILE A 620
 None
 1.28A 4drhD-4pyzA:
undetectable		 4drhD-4pyzA:
19.78
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) 		10 TYR A  57
ASP A  68
PHE A  77
GLN A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.72A 4drhD-4r0xA:
21.6		 4drhD-4r0xA:
85.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rn7 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Clostridioides
difficile) 		PF01520
(Amidase_3) 		5 GLN A 159
VAL A 288
ILE A 287
PRO A 256
ILE A 258
 None
 1.21A 4drhD-4rn7A:
undetectable		 4drhD-4rn7A:
22.16
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 GLN A 192
ILE A 199
TYR A 156
PRO A 134
ILE A 167
 None
None
None
FMN  A 401 (-3.7A)
None
 1.30A 4drhD-4rnwA:
undetectable		 4drhD-4rnwA:
16.10
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.
4wph UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF12436
(USP7_ICP0_bdg) 		5 HIS A 704
GLN A 574
VAL A 570
ILE A 569
ILE A 620
 None
 1.21A 4drhD-4wphA:
undetectable		 4drhD-4wphA:
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.
4ync NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 GLN A  93
ILE A 100
TYR A  57
PRO A  35
ILE A  68
 None
None
None
FMN  A 401 (-3.9A)
None
 1.28A 4drhD-4yncA:
undetectable		 4drhD-4yncA:
16.67
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.
4z7l CAS6B

(Methanococcus
maripaludis) 		PF17262
(DUF5328) 		5 TYR A  31
ILE A  63
TYR A  10
ILE A  94
PHE A  27
 None
 1.22A 4drhD-4z7lA:
undetectable		 4drhD-4z7lA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 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 611
PHE A 644
 None
 1.28A 4drhD-5b86A:
undetectable		 4drhD-5b86A:
13.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Coccidioides
immitis) 		PF00254
(FKBP_C) 		9 TYR C  36
ASP C  56
PHE C  64
VAL C  73
ILE C  74
TRP C  77
TYR C 100
ILE C 109
PHE C 117
 FK5  C 201 (-4.1A)
FK5  C 201 ( 3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.5A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.4A)
FK5  C 201 (-4.5A)
None
FK5  C 201 (-4.7A)
 0.53A 4drhD-5b8iC:
17.1		 4drhD-5b8iC:
33.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwa ORNITHINE
DECARBOXYLASE

(Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A 260
VAL A 209
ILE A 212
PRO A  60
ILE A 271
 None
 1.20A 4drhD-5bwaA:
undetectable		 4drhD-5bwaA:
15.78
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.
5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF12436
(USP7_ICP0_bdg) 		5 HIS A 704
GLN A 574
VAL A 570
ILE A 569
ILE A 620
 HIS  A 704 ( 1.0A)
GLN  A 574 ( 0.6A)
VAL  A 570 ( 0.6A)
ILE  A 569 ( 0.7A)
ILE  A 620 ( 0.7A)
 1.23A 4drhD-5c6dA:
undetectable		 4drhD-5c6dA:
19.23
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.
5i7p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 146
 None
 0.43A 4drhD-5i7pA:
16.3		 4drhD-5i7pA:
29.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i7q PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE 16
KDA PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE,PEPTIDYL-P
ROLYL CIS-TRANS
ISOMERASE FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  26
ASP A  37
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 147
 None
 0.46A 4drhD-5i7qA:
16.4		 4drhD-5i7qA:
32.12
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) 		5 VAL A  55
ILE A  56
TRP A  59
PRO A 139
PHE A 147
 None
 0.96A 4drhD-5i7qA:
16.4		 4drhD-5i7qA:
32.12
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 ASP A  41
PHE A  50
GLN A  58
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 102
 None
 1.34A 4drhD-5i98A:
16.3		 4drhD-5i98A:
39.57
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 ASP A  41
PHE A  50
GLN A  58
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 106
PHE A 114
 None
 0.72A 4drhD-5i98A:
16.3		 4drhD-5i98A:
39.57
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
TRP A  63
TYR A  97
ILE A 102
 None
 1.15A 4drhD-5i98A:
16.3		 4drhD-5i98A:
39.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		9 TYR A  30
ASP A  41
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 106
PHE A 114
 None
 0.50A 4drhD-5i98A:
16.3		 4drhD-5i98A:
39.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j6e FK506-BINDING
PROTEIN 1A

(Aspergillus
fumigatus) 		PF00254
(FKBP_C) 		9 TYR A  27
ASP A  38
PHE A  47
VAL A  56
ILE A  57
TRP A  60
TYR A  83
ILE A  92
PHE A 100
 None
 0.59A 4drhD-5j6eA:
17.9		 4drhD-5j6eA:
40.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jcv LMO2181 PROTEIN

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 ASP A 125
VAL A  75
ILE A  89
TYR A 161
ILE A 221
 None
 1.08A 4drhD-5jcvA:
undetectable		 4drhD-5jcvA:
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 ASP A 368
PHE A 446
GLN A 292
VAL A 342
ILE A 341
 None
 1.01A 4drhD-5m41A:
undetectable		 4drhD-5m41A:
19.85
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 PHE A 446
GLN A 292
VAL A 342
ILE A 341
ILE A 389
 None
 1.20A 4drhD-5m41A:
undetectable		 4drhD-5m41A:
19.85
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.
5msz THERMOBIA DOMESTICA
DOMESTICA AA15

(Thermobia
domestica) 		no annotation 5 ASP A  84
VAL A  72
ILE A 190
TYR A  75
ILE A  81
 None
 1.15A 4drhD-5mszA:
undetectable		 4drhD-5mszA:
19.08
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 9 TYR A  33
ASP A  44
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-4.0A)
8ZV  A 201 (-3.3A)
8ZV  A 201 (-4.6A)
8ZV  A 201 ( 4.8A)
8ZV  A 201 (-4.6A)
 0.46A 4drhD-5v8tA:
18.3		 4drhD-5v8tA:
19.86
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.
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)
 1.29A 4drhD-5wpiA:
undetectable		 4drhD-5wpiA:
17.36
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 ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.16A 4drhD-5xb0A:
16.0		 4drhD-5xb0A:
30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		8 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.74A 4drhD-5xb0A:
16.0		 4drhD-5xb0A:
30.87
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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 5 ASP B 274
ILE B 302
TYR B 254
PRO B 227
PHE B   7
 None
 1.27A 4drhD-5yllB:
undetectable		 4drhD-5yllB:
20.00
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.
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
 1.27A 4drhD-5z0yA:
undetectable		 4drhD-5z0yA:
15.83
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
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A  99
 None
 1.36A 4drhD-6b4pA:
19.3		 4drhD-6b4pA:
45.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b4p PEPTIDYLPROLYL
ISOMERASE

(Naegleria
fowleri) 		no annotation 9 TYR A  38
ASP A  49
PHE A  58
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A 103
PHE A 111
 None
 0.62A 4drhD-6b4pA:
19.3		 4drhD-6b4pA:
45.89
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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE

(Legionella
pneumophila) 		no annotation 5 ASP A  36
HIS A   6
VAL A  21
ILE A  19
ILE A  25
 None
 0.84A 4drhD-6eslA:
undetectable		 4drhD-6eslA:
19.86
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.
2ivg CYANATE LYASE

(Escherichia
coli) 		PF02560
(Cyanate_lyase) 		5 ARG A  81
PHE A 126
THR A 145
ASP A 129
PHE A  42
 None
 1.46A 4drhE-2ivgA:
undetectable		 4drhE-2ivgA:
20.67
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.
2o42 M11L PROTEIN

(Myxoma virus) 		PF11099
(M11L) 		5 LEU A   5
SER A   3
THR A  22
ASP A  11
TYR A  10
 None
 1.39A 4drhE-2o42A:
0.0		 4drhE-2o42A:
18.92
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-3

(Homo sapiens) 		PF09507
(CDC27) 		5 LEU B 126
SER B 124
THR B 117
ASP B 118
TYR B  28
 None
 1.46A 4drhE-3e0jB:
undetectable		 4drhE-3e0jB:
20.83
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 5 LEU A 161
SER A 165
ARG A 166
PHE A 169
TRP A 255
 None
 0.63A 4drhE-4l9aA:
undetectable		 4drhE-4l9aA:
17.81
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.
5t2o I-ONUI_E-AG011377

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 LEU A  49
ARG A  80
PHE A  45
THR A  16
ASP A  20
 None
 1.30A 4drhE-5t2oA:
3.0		 4drhE-5t2oA:
15.75
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.
6b6m CYANATE HYDRATASE

(Serratia
proteamaculans) 		no annotation 5 ARG A  81
PHE A 126
THR A 145
ASP A 129
PHE A  42
 None
 1.48A 4drhE-6b6mA:
0.0		 4drhE-6b6mA:
20.00