SIMILAR PATTERNS OF AMINO ACIDS FOR 5HWC_A_FK5A201_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ASP A 253
ARG A 322
PHE A 326
VAL A 238
ILE A 231
 None
 1.28A 5hwcA-1asoA:
undetectable		 5hwcA-1asoA:
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.
1eom ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F3

(Elizabethkingia
meningoseptica) 		PF00704
(Glyco_hydro_18) 		5 ASP A  34
VAL A 284
ILE A 271
TYR A 274
ILE A  29
 None
 1.30A 5hwcA-1eomA:
undetectable		 5hwcA-1eomA:
18.40
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.
1fd9 PROTEIN (MACROPHAGE
INFECTIVITY
POTENTIATOR PROTEIN)

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 PHE A 153
ILE A 159
TRP A 162
TYR A 185
ILE A 194
PHE A 202
 None
 1.13A 5hwcA-1fd9A:
16.7		 5hwcA-1fd9A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.58A 5hwcA-1fd9A:
16.7		 5hwcA-1fd9A:
23.62
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
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
ILE A  91
PHE A  99
 None
 0.49A 5hwcA-1fkkA:
20.9		 5hwcA-1fkkA:
56.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		5 TYR A 163
PHE A 151
VAL A 140
TRP A  96
PHE A 166
 None
 1.37A 5hwcA-1hxjA:
undetectable		 5hwcA-1hxjA:
15.92
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.
1i4s RIBONUCLEASE III

(Aquifex
aeolicus) 		PF14622
(Ribonucleas_3_3) 		5 ASP A 138
PHE A 109
VAL A  47
ILE A  51
PHE A  79
 None
 1.35A 5hwcA-1i4sA:
undetectable		 5hwcA-1i4sA:
19.73
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.
1j83 ENDO-1,4-BETA
GLUCANASE ENGF

(Clostridium
cellulovorans) 		PF03424
(CBM_17_28) 		5 ASP A1113
PHE A1149
VAL A1122
ILE A1124
ILE A1202
 None
 1.39A 5hwcA-1j83A:
undetectable		 5hwcA-1j83A:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		6 PHE A 114
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.99A 5hwcA-1jvwA:
15.8		 5hwcA-1jvwA:
32.53
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
ARG A 108
VAL A 119
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.56A 5hwcA-1jvwA:
15.8		 5hwcA-1jvwA:
32.53
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
ARG A 108
ILE A 120
TRP A 123
TYR A 146
ILE A 155
PHE A 163
 None
 0.61A 5hwcA-1jvwA:
15.8		 5hwcA-1jvwA:
32.53
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.
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
 0.85A 5hwcA-1kt1A:
15.6		 5hwcA-1kt1A:
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
 None
 1.49A 5hwcA-1kt1A:
15.6		 5hwcA-1kt1A:
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ASP A 597
ARG A 546
PHE A 210
PHE A 609
PHE A 220
 None
 1.41A 5hwcA-1mpxA:
undetectable		 5hwcA-1mpxA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mtp SERINE PROTEINASE
INHIBITOR (SERPIN),
CHAIN A
SERINE PROTEINASE
INHIBITOR (SERPIN),
CHAIN B

(Thermobifida
fusca) 		PF00079
(Serpin)
no annotation 		5 VAL A 221
ILE B 344
PHE B 354
ILE A  33
PHE A 259
 None
 1.31A 5hwcA-1mtpA:
undetectable		 5hwcA-1mtpA:
15.74
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) 		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
 0.52A 5hwcA-1n1aA:
18.1		 5hwcA-1n1aA:
42.75
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
 0.30A 5hwcA-1pbkA:
19.6		 5hwcA-1pbkA:
43.70
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 PHE A 168
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 1.37A 5hwcA-1q6hA:
16.7		 5hwcA-1q6hA:
28.28
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		9 TYR A 146
ASP A 157
ARG A 162
VAL A 173
ILE A 174
TRP A 177
TYR A 200
ILE A 208
PHE A 216
 None
 0.55A 5hwcA-1q6hA:
16.7		 5hwcA-1q6hA:
28.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r9h FK506 BINDING
PROTEIN FAMILY

(Caenorhabditis
elegans) 		PF00254
(FKBP_C) 		10 TYR A  40
ASP A  51
ARG A  56
PHE A  60
VAL A  69
ILE A  70
TRP A  73
TYR A  96
ILE A 105
PHE A 113
 None
 0.63A 5hwcA-1r9hA:
19.9		 5hwcA-1r9hA:
46.15
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.
1rc7 RIBONUCLEASE III

(Aquifex
aeolicus) 		PF00035
(dsrm)
PF14622
(Ribonucleas_3_3) 		5 ASP A 138
PHE A 109
VAL A  47
ILE A  51
PHE A  79
 None
 1.27A 5hwcA-1rc7A:
undetectable		 5hwcA-1rc7A:
20.28
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.
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
 1.08A 5hwcA-1ry2A:
undetectable		 5hwcA-1ry2A:
12.83
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
 0.38A 5hwcA-1u79A:
18.1		 5hwcA-1u79A:
36.57
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) 		11 TYR A  26
ASP A  37
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A  87
ILE A  91
PHE A  99
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
FK5  A 108 (-3.7A)
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)
FK5  A 108 (-4.0A)
None
None
 0.43A 5hwcA-1yatA:
21.5		 5hwcA-1yatA:
61.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0b FEEM

(uncultured
bacterium) 		no annotation 5 ASP A  75
ARG A  86
VAL A  96
TYR A 163
ILE A  77
 None
None
NLT  A 400 (-3.4A)
None
None
 1.31A 5hwcA-2g0bA:
undetectable		 5hwcA-2g0bA:
22.60
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.
2gh4 PUTATIVE GLYCOSYL
HYDROLASE YTER

(Bacillus
subtilis) 		PF07470
(Glyco_hydro_88) 		5 TYR A 285
ASP A 224
ARG A  52
TYR A 295
ILE A 226
 None
 1.30A 5hwcA-2gh4A:
undetectable		 5hwcA-2gh4A:
16.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2lpv FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Aedes aegypti) 		PF00254
(FKBP_C) 		5 TYR A  27
PHE A  47
ILE A  57
TRP A  60
ILE A  92
 None
 1.02A 5hwcA-2lpvA:
17.8		 5hwcA-2lpvA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2lpv FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Aedes aegypti) 		PF00254
(FKBP_C) 		5 TYR A  27
VAL A  56
ILE A  57
TRP A  60
ILE A  92
 None
 1.05A 5hwcA-2lpvA:
17.8		 5hwcA-2lpvA:
52.78
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.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 TYR A 214
ASP A 232
ARG A 183
PHE A 166
VAL A 158
 None
 1.42A 5hwcA-2ozgA:
undetectable		 5hwcA-2ozgA:
14.77
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.
2p4p HYPOTHETICAL PROTEIN
HD1797

([Haemophilus]
ducreyi) 		PF03471
(CorC_HlyC) 		5 TYR A  60
ASP A  58
ILE A  37
PHE A  28
PHE A  62
 MLY  A  59 ( 3.8A)
MLY  A  59 ( 3.2A)
None
None
MLY  A  61 ( 4.5A)
 1.11A 5hwcA-2p4pA:
undetectable		 5hwcA-2p4pA:
17.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pbc FK506-BINDING
PROTEIN 2

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  56
ASP A  67
PHE A  76
VAL A  85
ILE A  86
TRP A  89
TYR A 112
ILE A 121
PHE A 129
 PEG  A 201 (-4.4A)
None
PEG  A 201 ( 3.9A)
PEG  A 201 (-3.6A)
PEG  A 201 (-3.8A)
PEG  A 201 (-3.7A)
None
None
None
 0.67A 5hwcA-2pbcA:
16.6		 5hwcA-2pbcA:
47.83
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.
2q3q UNCHARACTERIZED
PROTEIN AT1G24000

(Arabidopsis
thaliana) 		PF00407
(Bet_v_1) 		5 TYR A 109
ASP A  27
PHE A 110
ILE A  52
PHE A  32
 None
 1.30A 5hwcA-2q3qA:
undetectable		 5hwcA-2q3qA:
20.63
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 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)
 0.75A 5hwcA-2vcdA:
14.1		 5hwcA-2vcdA:
31.21
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 TYR A  55
ASP A  66
VAL A  82
ILE A  83
TRP A  86
TYR A 109
 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)
RAP  A 138 (-3.8A)
 0.83A 5hwcA-2vcdA:
14.1		 5hwcA-2vcdA:
31.21
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) 		10 TYR A  44
ASP A  56
ARG A  61
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 (-3.9A)
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)
 0.35A 5hwcA-2vn1A:
19.2		 5hwcA-2vn1A:
41.86
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.
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
 1.40A 5hwcA-2wmmA:
undetectable		 5hwcA-2wmmA:
24.36
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) 		10 TYR A  33
ASP A  44
ARG A  49
PHE A  53
VAL A  62
ILE A  63
TRP A  66
TYR A  89
ILE A  98
PHE A 106
 None
 0.64A 5hwcA-2y78A:
18.7		 5hwcA-2y78A:
57.26
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.
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
 0.93A 5hwcA-3b7xA:
14.9		 5hwcA-3b7xA:
29.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clo TRANSCRIPTIONAL
REGULATOR

(Bacteroides
thetaiotaomicron) 		PF00196
(GerE) 		5 ASP A  82
PHE A 106
VAL A 142
TYR A 160
ILE A  86
 None
 1.35A 5hwcA-3cloA:
undetectable		 5hwcA-3cloA:
18.58
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.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		5 ASP A 208
ARG A 214
PHE A 212
VAL A 106
TYR A 155
 None
 1.17A 5hwcA-3focA:
undetectable		 5hwcA-3focA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		5 ASP A  33
PHE A 195
VAL A  36
ILE A 106
PHE A 219
 FE  A 248 (-2.2A)
None
None
None
None
 1.38A 5hwcA-3h7jA:
undetectable		 5hwcA-3h7jA:
20.09
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.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		5 TYR A 147
ASP A 126
PHE A 151
VAL A 122
ILE A 123
 None
 1.37A 5hwcA-3i9fA:
undetectable		 5hwcA-3i9fA:
20.59
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.
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
 1.38A 5hwcA-3ibpA:
undetectable		 5hwcA-3ibpA:
17.82
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		5 ARG A 685
VAL A 712
ILE A 701
TYR A 745
ILE A 674
 None
 1.44A 5hwcA-3j9dA:
undetectable		 5hwcA-3j9dA:
8.27
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT E

(Saccharomyces
cerevisiae) 		no annotation 5 TYR K 117
ASP K 145
ARG K 144
ILE K 125
ILE K 174
 None
 1.41A 5hwcA-3j9tK:
undetectable		 5hwcA-3j9tK:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		5 TYR A  82
ASP A  91
VAL A  64
ILE A  62
TRP A  40
 None
 1.43A 5hwcA-3n11A:
undetectable		 5hwcA-3n11A:
17.23
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) 		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
 0.77A 5hwcA-3o5dA:
18.6		 5hwcA-3o5dA:
36.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
 0.74A 5hwcA-3o5eA:
18.8		 5hwcA-3o5eA:
39.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.77A 5hwcA-3o5eA:
18.8		 5hwcA-3o5eA:
39.73
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) 		10 TYR A  43
ASP A  55
ARG A  60
PHE A  64
VAL A  73
ILE A  74
TRP A  77
TYR A 100
ILE A 109
PHE A 117
 None
 0.64A 5hwcA-3pa7A:
19.0		 5hwcA-3pa7A:
43.41
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 358
PHE A 247
VAL A 233
ILE A 230
ILE A 386
 None
 1.40A 5hwcA-3rj8A:
undetectable		 5hwcA-3rj8A:
13.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 5hwcA-3um6A:
undetectable		 5hwcA-3um6A:
11.15
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.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 ASP A 384
ARG A 210
PHE A 377
ILE A 143
ILE A 387
 None
 1.44A 5hwcA-3ziuA:
undetectable		 5hwcA-3ziuA:
11.75
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
ILE A 342
TRP A 345
TYR A 368
ILE A 376
PHE A 384
 None
 0.80A 5hwcA-4bf8A:
16.0		 5hwcA-4bf8A:
37.19
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
ILE A 342
TRP A 345
TYR A 368
PHE A 384
 None
 0.82A 5hwcA-4bf8A:
16.0		 5hwcA-4bf8A:
37.19
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
PHE A 332
ILE A 342
TRP A 345
PHE A 384
 None
 0.89A 5hwcA-4bf8A:
16.0		 5hwcA-4bf8A:
37.19
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
TRP A 345
PHE A 384
 None
 0.64A 5hwcA-4bf8A:
16.0		 5hwcA-4bf8A:
37.19
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.
4c0e NOT1

(Chaetomium
thermophilum) 		PF04054
(Not1) 		5 TYR A2111
ASP A2075
ARG A2059
PHE A2069
ILE A2119
 None
 1.10A 5hwcA-4c0eA:
undetectable		 5hwcA-4c0eA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckm SAS-6

(Leishmania
major) 		PF16531
(SAS-6_N) 		5 TYR A 196
PHE A 209
VAL A 173
ILE A 263
PHE A 199
 None
 1.40A 5hwcA-4ckmA:
undetectable		 5hwcA-4ckmA:
19.89
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
 0.54A 5hwcA-4dipA:
17.4		 5hwcA-4dipA:
38.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dz3 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		10 TYR A  33
ASP A  44
ARG A  49
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 ( 3.7A)
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)
 0.30A 5hwcA-4dz3A:
19.5		 5hwcA-4dz3A:
55.65
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.22A 5hwcA-4h09A:
undetectable		 5hwcA-4h09A:
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.
4hl7 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF04095
(NAPRTase) 		5 ASP A 303
ARG A 342
PHE A 321
ILE A 273
TRP A 301
 None
 1.29A 5hwcA-4hl7A:
undetectable		 5hwcA-4hl7A:
12.83
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
ARG A  42
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.75A 5hwcA-4iqcA:
20.7		 5hwcA-4iqcA:
60.18
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) 		7 TYR A  26
ASP A  37
PHE A  46
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.81A 5hwcA-4iqcA:
20.7		 5hwcA-4iqcA:
60.18
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) 		7 TYR A  26
PHE A  46
VAL A  55
ILE A  56
TYR A  82
ILE A  91
PHE A  99
 None
 0.78A 5hwcA-4iqcA:
20.7		 5hwcA-4iqcA:
60.18
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.
4iyk UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF12866
(DUF3823) 		5 VAL A 111
ILE A  30
TYR A  76
ILE A  53
PHE A 103
 None
 1.31A 5hwcA-4iykA:
undetectable		 5hwcA-4iykA:
18.06
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) 		9 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
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
None
DMS  A 304 (-4.3A)
 0.84A 5hwcA-4lawA:
19.1		 5hwcA-4lawA:
31.61
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) 		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
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.59A 5hwcA-4lawA:
19.1		 5hwcA-4lawA:
31.61
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
TRP A  69
TYR A  92
ILE A 100
PHE A 108
 None
 0.47A 5hwcA-4mspA:
17.9		 5hwcA-4mspA:
34.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nnr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2

(Homo sapiens) 		PF00254
(FKBP_C) 		9 TYR A  56
ASP A  67
PHE A  76
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)
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)
 0.23A 5hwcA-4nnrA:
16.3		 5hwcA-4nnrA:
43.26
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.
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
 0.51A 5hwcA-4odmA:
11.8		 5hwcA-4odmA:
22.37
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.
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)
 0.40A 5hwcA-4odrA:
13.5		 5hwcA-4odrA:
29.08
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.
4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		5 ASP A 110
ARG A  81
ILE A  18
PHE A  53
PHE A  14
 None
 1.29A 5hwcA-4oe7A:
undetectable		 5hwcA-4oe7A:
16.77
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) 		9 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
 0.77A 5hwcA-4r0xA:
19.7		 5hwcA-4r0xA:
47.93
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) 		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
 0.72A 5hwcA-4r0xA:
19.7		 5hwcA-4r0xA:
47.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7l CAS6B

(Methanococcus
maripaludis) 		PF17262
(DUF5328) 		5 TYR A  31
ILE A  63
TYR A  10
ILE A  94
PHE A  27
 None
 1.31A 5hwcA-4z7lA:
undetectable		 5hwcA-4z7lA:
21.23
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.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 5 PHE A1576
VAL A1561
ILE A1547
TYR A1549
ILE A1611
 None
 1.18A 5hwcA-5b2oA:
undetectable		 5hwcA-5b2oA:
5.67
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) 		11 TYR C  36
ASP C  56
ARG C  61
PHE C  64
VAL C  73
ILE C  74
TRP C  77
TYR C 100
PHE C 105
ILE C 109
PHE C 117
 FK5  C 201 (-4.1A)
FK5  C 201 ( 3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.5A)
FK5  C 201 (-3.8A)
FK5  C 201 (-3.4A)
FK5  C 201 (-4.5A)
FK5  C 201 (-4.3A)
None
FK5  C 201 (-4.7A)
 0.58A 5hwcA-5b8iC:
21.7		 5hwcA-5b8iC:
56.49
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
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 146
 None
 0.60A 5hwcA-5i7pA:
19.3		 5hwcA-5i7pA:
38.27
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
ARG A  42
PHE A  46
VAL A  55
ILE A  56
TRP A  59
TYR A  82
PHE A 147
 None
 0.55A 5hwcA-5i7qA:
19.3		 5hwcA-5i7qA:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		7 ASP A  41
ARG A  46
PHE A  50
VAL A  59
ILE A  60
TYR A  97
ILE A 102
 None
 1.39A 5hwcA-5i98A:
20.0		 5hwcA-5i98A:
47.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		10 TYR A  30
ASP A  41
ARG A  46
PHE A  50
VAL A  59
ILE A  60
TRP A  63
TYR A  97
ILE A 106
PHE A 114
 None
 0.66A 5hwcA-5i98A:
20.0		 5hwcA-5i98A:
47.54
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) 		11 TYR A  27
ASP A  38
ARG A  43
PHE A  47
VAL A  56
ILE A  57
TRP A  60
TYR A  83
PHE A  88
ILE A  92
PHE A 100
 None
 0.56A 5hwcA-5j6eA:
23.4		 5hwcA-5j6eA:
98.20
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.
5jcv LMO2181 PROTEIN

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 ASP A 125
VAL A  75
ILE A  89
TYR A 161
ILE A 221
 None
 1.01A 5hwcA-5jcvA:
undetectable		 5hwcA-5jcvA:
19.77
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.
5jvk UNCHARACTERIZED
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 ASP A 162
VAL A 134
ILE A 159
ILE A 197
PHE A 184
 GOL  A 654 (-2.9A)
None
None
None
None
 1.35A 5hwcA-5jvkA:
undetectable		 5hwcA-5jvkA:
12.19
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.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ASP A 138
ARG A 141
VAL A 205
TYR A 177
ILE A 168
 None
 1.39A 5hwcA-5l1bA:
undetectable		 5hwcA-5l1bA:
9.71
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ASP B 579
ARG B 596
ILE B 468
ILE B 557
PHE B 583
 None
 1.38A 5hwcA-5ldrB:
undetectable		 5hwcA-5ldrB:
10.94
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		5 ASP B 213
VAL B 195
ILE B 198
TYR B  88
ILE B  85
 EDO  B 616 ( 2.8A)
None
None
None
None
 1.23A 5hwcA-5m99B:
undetectable		 5hwcA-5m99B:
14.73
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.
5ucr PANTOTHENATE
SYNTHETASE

(Neisseria
gonorrhoeae) 		PF02569
(Pantoate_ligase) 		5 ARG A  11
VAL A 128
PHE A 163
ILE A 165
PHE A  22
 None
 1.29A 5hwcA-5ucrA:
undetectable		 5hwcA-5ucrA:
18.09
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 10 TYR A  33
ASP A  44
ARG A  49
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 (-3.6A)
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)
 0.22A 5hwcA-5v8tA:
19.6		 5hwcA-5v8tA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 TYR A 424
ASP A 110
VAL A 307
ILE A 310
PHE A 375
 None
 1.40A 5hwcA-5vf3A:
undetectable		 5hwcA-5vf3A:
14.38
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
 0.68A 5hwcA-5xb0A:
16.1		 5hwcA-5xb0A:
31.03
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
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.06A 5hwcA-5xb0A:
16.1		 5hwcA-5xb0A:
31.03
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.
5z0c NEROL DEHYDROGENASE

(Persicaria
minor) 		no annotation 5 TYR A 348
ASP A 223
VAL A 190
PHE A 233
ILE A 225
 None
 1.22A 5hwcA-5z0cA:
undetectable		 5hwcA-5z0cA:
22.73
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.
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
 1.26A 5hwcA-5z0yA:
undetectable		 5hwcA-5z0yA:
21.93
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
ARG A  54
PHE A  58
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A  99
 None
 1.42A 5hwcA-6b4pA:
19.4		 5hwcA-6b4pA:
43.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b4p PEPTIDYLPROLYL
ISOMERASE

(Naegleria
fowleri) 		no annotation 10 TYR A  38
ASP A  49
ARG A  54
PHE A  58
VAL A  67
ILE A  68
TRP A  71
TYR A  94
ILE A 103
PHE A 111
 None
 0.57A 5hwcA-6b4pA:
19.4		 5hwcA-6b4pA:
43.41
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 TYR A 344
ASP A  84
ARG A 355
VAL A 402
ILE A 406
 None
 1.21A 5hwcA-6bszA:
undetectable		 5hwcA-6bszA:
16.98
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL
ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 5 ARG A 184
VAL D 145
ILE D 146
TYR D 152
ILE D 158
 None
 1.37A 5hwcA-6f5dA:
undetectable		 5hwcA-6f5dA:
22.58