SIMILAR PATTERNS OF AMINO ACIDS FOR 5HW8_C_FK5C201_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.
1a79 TRNA ENDONUCLEASE

(Methanocaldococcus
jannaschii) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		5 ASP A 111
VAL A 163
ILE A 169
TYR A 171
LEU A  95
 None
 1.30A 5hw8C-1a79A:
undetectable
5hw8H-1a79A:
undetectable		 5hw8C-1a79A:
19.55
5hw8H-1a79A:
19.55
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.
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
LEU A 200
PHE A 202
 None
 0.56A 5hw8C-1fd9A:
15.8
5hw8H-1fd9A:
13.0		 5hw8C-1fd9A:
23.11
5hw8H-1fd9A:
23.11
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
ARG A  42
VAL A  55
ILE A  56
TRP A  59
TYR A  82
LEU A  97
PHE A  99
 None
 0.77A 5hw8C-1fkkA:
18.7
5hw8H-1fkkA:
15.7		 5hw8C-1fkkA:
45.83
5hw8H-1fkkA:
45.83
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.
1fvf SEC1

(Doryteuthis
pealeii) 		PF00995
(Sec1) 		5 ASP A 231
ILE A 487
TYR A 501
LEU A 228
ILE A 457
 None
 1.02A 5hw8C-1fvfA:
undetectable
5hw8H-1fvfA:
undetectable		 5hw8C-1fvfA:
13.10
5hw8H-1fvfA:
13.10
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) 		9 TYR A  92
ASP A 103
ARG A 108
VAL A 119
ILE A 120
TRP A 123
TYR A 146
LEU A 161
PHE A 163
 None
 0.72A 5hw8C-1jvwA:
14.8
5hw8H-1jvwA:
12.2		 5hw8C-1jvwA:
32.47
5hw8H-1jvwA:
32.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 VAL A 700
ILE A 699
TYR A 606
LEU A 609
ILE A 705
 None
 1.37A 5hw8C-1kblA:
undetectable
5hw8H-1kblA:
undetectable		 5hw8C-1kblA:
10.10
5hw8H-1kblA:
10.10
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
 0.84A 5hw8C-1kt1A:
14.3
5hw8H-1kt1A:
11.6		 5hw8C-1kt1A:
18.80
5hw8H-1kt1A:
18.80
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		6 TYR A  57
VAL A  86
TRP A  90
TYR A 113
LEU A 128
PHE A 130
 None
 1.24A 5hw8C-1kt1A:
14.3
5hw8H-1kt1A:
11.6		 5hw8C-1kt1A:
18.80
5hw8H-1kt1A:
18.80
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
VAL A  86
ILE A  87
TRP A  90
TYR A 113
LEU A 128
PHE A 130
 None
 0.59A 5hw8C-1n1aA:
16.4
5hw8H-1n1aA:
13.5		 5hw8C-1n1aA:
36.49
5hw8H-1n1aA:
36.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odu PUTATIVE
ALPHA-L-FUCOSIDASE

(Thermotoga
maritima) 		PF01120
(Alpha_L_fucos) 		5 ARG A 363
VAL A 397
ILE A 396
LEU A 442
PHE A 387
 None
 1.24A 5hw8C-1oduA:
undetectable
5hw8H-1oduA:
undetectable		 5hw8C-1oduA:
15.75
5hw8H-1oduA:
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.
1osy IMMUNOMODULATORY
PROTEIN FIP-FVE

(Flammulina
velutipes) 		PF09259
(Fve) 		5 TYR A  79
VAL A  53
ILE A  91
LEU A  36
PHE A  76
 None
 1.30A 5hw8C-1osyA:
undetectable
5hw8H-1osyA:
undetectable		 5hw8C-1osyA:
23.02
5hw8H-1osyA:
23.02
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
LEU A 214
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
None
 0.41A 5hw8C-1pbkA:
17.8
5hw8H-1pbkA:
14.8		 5hw8C-1pbkA:
40.00
5hw8H-1pbkA:
40.00
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.
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
LEU A 214
PHE A 216
 None
 0.74A 5hw8C-1q6hA:
15.5
5hw8H-1q6hA:
13.1		 5hw8C-1q6hA:
25.63
5hw8H-1q6hA:
25.63
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE II

(Paracoccus
denitrificans) 		PF00115
(COX1)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 ILE A 315
TYR A 280
LEU A 284
PHE A 287
ILE B  42
 None
HEA  A 602 (-4.7A)
None
None
None
 1.29A 5hw8C-1qleA:
undetectable
5hw8H-1qleA:
undetectable		 5hw8C-1qleA:
14.15
5hw8H-1qleA:
14.15
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
ARG A  56
VAL A  69
ILE A  70
TRP A  73
TYR A  96
LEU A 111
PHE A 113
 None
 0.65A 5hw8C-1r9hA:
18.0
5hw8H-1r9hA:
15.0		 5hw8C-1r9hA:
34.93
5hw8H-1r9hA:
34.93
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.
1s0p ADENYLYL
CYCLASE-ASSOCIATED
PROTEIN

(Dictyostelium
discoideum) 		PF01213
(CAP_N) 		5 TYR A 194
VAL A  85
ILE A  88
LEU A 201
PHE A 197
 None
 1.24A 5hw8C-1s0pA:
undetectable
5hw8H-1s0pA:
undetectable		 5hw8C-1s0pA:
20.90
5hw8H-1s0pA:
20.90
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
ARG A  53
LEU A 119
PHE A 121
 None
 1.37A 5hw8C-1u79A:
17.9
5hw8H-1u79A:
14.7		 5hw8C-1u79A:
40.30
5hw8H-1u79A:
40.30
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
LEU A 119
PHE A 121
 None
 0.43A 5hw8C-1u79A:
17.9
5hw8H-1u79A:
14.7		 5hw8C-1u79A:
40.30
5hw8H-1u79A:
40.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vr8 GTP BINDING
REGULATOR

(Thermotoga
maritima) 		PF11586
(DUF3242) 		5 VAL A 132
ILE A 131
TYR A  54
LEU A  90
PHE A 111
 None
None
GOL  A   5 ( 4.2A)
None
None
 0.95A 5hw8C-1vr8A:
undetectable
5hw8H-1vr8A:
undetectable		 5hw8C-1vr8A:
23.65
5hw8H-1vr8A:
23.65
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.
1w6f ARYLAMINE
N-ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF00797
(Acetyltransf_2) 		5 ASP A  21
VAL A  29
ILE A  28
LEU A  84
PHE A  86
 None
 1.11A 5hw8C-1w6fA:
undetectable
5hw8H-1w6fA:
undetectable		 5hw8C-1w6fA:
17.10
5hw8H-1w6fA:
17.10
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) 		9 TYR A  26
ASP A  37
ARG A  42
VAL A  55
ILE A  56
TRP A  59
TYR A  82
LEU A  97
PHE A  99
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
FK5  A 108 (-3.7A)
FK5  A 108 ( 3.4A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 3.6A)
FK5  A 108 ( 4.7A)
None
None
 0.59A 5hw8C-1yatA:
19.5
5hw8H-1yatA:
15.9		 5hw8C-1yatA:
55.65
5hw8H-1yatA:
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.
2a2f EXOCYST COMPLEX
COMPONENT SEC15

(Drosophila
melanogaster) 		PF04091
(Sec15) 		5 VAL X  27
TRP X  24
LEU X 125
PHE X 121
ILE X  51
 None
 1.08A 5hw8C-2a2fX:
undetectable
5hw8H-2a2fX:
undetectable		 5hw8C-2a2fX:
15.72
5hw8H-2a2fX:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ae6 ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 TYR A  43
ASP A  22
VAL A  10
TRP A  15
ILE A  84
 None
 1.35A 5hw8C-2ae6A:
undetectable
5hw8H-2ae6A:
undetectable		 5hw8C-2ae6A:
20.86
5hw8H-2ae6A:
20.86
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.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ASP A 141
VAL A 297
ILE A 299
PHE A 103
ILE A  18
 None
 1.27A 5hw8C-2brtA:
undetectable
5hw8H-2brtA:
undetectable		 5hw8C-2brtA:
16.14
5hw8H-2brtA:
16.14
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.
2btj GREEN TO RED
PHOTOCONVERTIBLE
GPF-LIKE PROTEIN
EOSFP

(Lobophyllia
hemprichii) 		PF01353
(GFP) 		5 TYR A 177
ARG A  91
VAL A  67
TYR A  71
ILE A 196
 None
IEY  A  64 ( 2.9A)
None
None
IEY  A  64 ( 3.7A)
 1.31A 5hw8C-2btjA:
undetectable
5hw8H-2btjA:
undetectable		 5hw8C-2btjA:
22.22
5hw8H-2btjA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cv8 TRNA-SPLICING
ENDONUCLEASE

(Sulfurisphaera
tokodaii) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		5 ASP A 113
VAL A 163
ILE A 170
TYR A 172
LEU A  97
 None
 1.21A 5hw8C-2cv8A:
undetectable
5hw8H-2cv8A:
undetectable		 5hw8C-2cv8A:
26.32
5hw8H-2cv8A:
26.32
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 605
VAL A 706
ILE A 707
LEU A 612
PHE A 687
 None
 1.32A 5hw8C-2e8yA:
undetectable
5hw8H-2e8yA:
undetectable		 5hw8C-2e8yA:
11.10
5hw8H-2e8yA:
11.10
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		5 TYR A 268
ASP A 260
VAL A 279
ILE A 346
ILE A 234
 None
EDO  A  13 (-2.9A)
MLY  A 278 ( 3.1A)
MLY  A 345 ( 4.2A)
None
 1.18A 5hw8C-2etvA:
undetectable
5hw8H-2etvA:
undetectable		 5hw8C-2etvA:
20.06
5hw8H-2etvA:
20.06
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.
2gw3 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		5 TYR A 177
ARG A  91
VAL A  67
TYR A  71
ILE A 196
 None
CR8  A  63 ( 3.0A)
None
None
CR8  A  63 ( 3.6A)
 1.31A 5hw8C-2gw3A:
undetectable
5hw8H-2gw3A:
undetectable		 5hw8C-2gw3A:
21.79
5hw8H-2gw3A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gw4 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		5 TYR B 177
ARG B  91
VAL B  67
TYR B  71
ILE B 196
 None
RC7  B  63 ( 2.9A)
None
None
RC7  B  63 ( 3.6A)
 1.31A 5hw8C-2gw4B:
undetectable
5hw8H-2gw4B:
undetectable		 5hw8C-2gw4B:
24.31
5hw8H-2gw4B:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mph PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A 135
VAL A 171
ILE A 172
TRP A 175
LEU A 214
 None
 0.95A 5hw8C-2mphA:
15.4
5hw8H-2mphA:
13.2		 5hw8C-2mphA:
26.82
5hw8H-2mphA:
26.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pbc FK506-BINDING
PROTEIN 2

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  56
ASP A  67
VAL A  85
ILE A  86
TRP A  89
TYR A 112
LEU A 127
PHE A 129
 PEG  A 201 (-4.4A)
None
PEG  A 201 (-3.6A)
PEG  A 201 (-3.8A)
PEG  A 201 (-3.7A)
None
None
None
 0.47A 5hw8C-2pbcA:
15.0
5hw8H-2pbcA:
13.6		 5hw8C-2pbcA:
44.14
5hw8H-2pbcA:
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.
2ql2 NEUROGENIC
DIFFERENTIATION
FACTOR 1
TRANSCRIPTION FACTOR
E2-ALPHA

(Mus musculus) 		PF00010
(HLH) 		5 ARG B 113
VAL A 555
ILE A 558
LEU B 143
PHE A 562
 None
 1.24A 5hw8C-2ql2B:
undetectable
5hw8H-2ql2B:
undetectable		 5hw8C-2ql2B:
16.95
5hw8H-2ql2B:
16.95
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.
2qrx GM27569P

(Drosophila
melanogaster) 		PF01997
(Translin) 		5 ASP A 140
VAL A  31
ILE A  34
TYR A  73
LEU A  99
 None
 1.27A 5hw8C-2qrxA:
undetectable
5hw8H-2qrxA:
undetectable		 5hw8C-2qrxA:
18.14
5hw8H-2qrxA:
18.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 ASP A  66
VAL A  82
ILE A  83
TRP A  86
TYR A 109
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 (-3.8A)
RAP  A 138 ( 4.7A)
 0.99A 5hw8C-2vcdA:
13.0
5hw8H-2vcdA:
11.5		 5hw8C-2vcdA:
34.90
5hw8H-2vcdA:
34.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vcd OUTER MEMBRANE
PROTEIN MIP

(Legionella
pneumophila) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		6 ASP A  66
VAL A  82
ILE A  83
TYR A 109
LEU A 124
PHE A 126
 RAP  A 138 (-2.7A)
RAP  A 138 (-3.2A)
RAP  A 138 (-3.6A)
RAP  A 138 (-3.8A)
None
RAP  A 138 ( 4.7A)
 1.12A 5hw8C-2vcdA:
13.0
5hw8H-2vcdA:
11.5		 5hw8C-2vcdA:
34.90
5hw8H-2vcdA:
34.90
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)
 0.93A 5hw8C-2vcdA:
13.0
5hw8H-2vcdA:
11.5		 5hw8C-2vcdA:
34.90
5hw8H-2vcdA:
34.90
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
ARG A  61
VAL A  74
ILE A  75
TRP A  78
TYR A 101
LEU A 116
PHE A 118
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
FK5  A 501 (-3.9A)
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)
 0.60A 5hw8C-2vn1A:
17.5
5hw8H-2vn1A:
14.5		 5hw8C-2vn1A:
33.09
5hw8H-2vn1A:
33.09
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.
2vzx GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 TYR A 177
ARG A  91
VAL A  67
TYR A  71
ILE A 195
 None
CR8  A  64 ( 3.0A)
None
None
CR8  A  64 ( 3.6A)
 1.36A 5hw8C-2vzxA:
undetectable
5hw8H-2vzxA:
undetectable		 5hw8C-2vzxA:
18.22
5hw8H-2vzxA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w2k D-MANDELATE
DEHYDROGENASE

(Rhodotorula
graminis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASP B 239
VAL B 224
ILE B 252
LEU B 266
PHE B 243
 None
 1.09A 5hw8C-2w2kB:
undetectable
5hw8H-2w2kB:
undetectable		 5hw8C-2w2kB:
18.37
5hw8H-2w2kB:
18.37
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.
2wfd LEUCYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Homo sapiens) 		PF00133
(tRNA-synt_1) 		5 ASP A 480
VAL A 490
ILE A 494
LEU A 366
PHE A 300
 None
 1.31A 5hw8C-2wfdA:
undetectable
5hw8H-2wfdA:
undetectable		 5hw8C-2wfdA:
23.68
5hw8H-2wfdA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xtp GTPASE IMAP FAMILY
MEMBER 2

(Homo sapiens) 		PF04548
(AIG1) 		5 TYR A 219
VAL A 129
ILE A 132
LEU A 243
ILE A  75
 None
 1.34A 5hw8C-2xtpA:
undetectable
5hw8H-2xtpA:
undetectable		 5hw8C-2xtpA:
16.80
5hw8H-2xtpA:
16.80
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
ARG A  49
VAL A  62
ILE A  63
TRP A  66
TYR A  89
LEU A 104
PHE A 106
 None
 0.69A 5hw8C-2y78A:
17.0
5hw8H-2y78A:
14.5		 5hw8C-2y78A:
47.90
5hw8H-2y78A:
47.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 TYR A 375
ASP A 280
VAL A 385
ILE A 293
LEU A 278
 None
 1.33A 5hw8C-3b40A:
undetectable
5hw8H-3b40A:
undetectable		 5hw8C-3b40A:
15.78
5hw8H-3b40A:
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.
3del ARGININE BINDING
PROTEIN

(Chlamydia
trachomatis) 		PF00497
(SBP_bac_3) 		5 TYR B 116
ASP B  60
ILE B 240
LEU B 249
ILE B  94
 None
 1.32A 5hw8C-3delB:
undetectable
5hw8H-3delB:
undetectable		 5hw8C-3delB:
22.13
5hw8H-3delB:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)

(Streptococcus
mutans) 		PF00215
(OMPdecase) 		5 ASP A  64
VAL A  33
ILE A  34
LEU A  12
ILE A 114
 5RP  A 501 ( 4.8A)
None
None
None
None
 1.28A 5hw8C-3exsA:
undetectable
5hw8H-3exsA:
undetectable		 5hw8C-3exsA:
17.65
5hw8H-3exsA:
17.65
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.
3kcq PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Anaplasma
phagocytophilum) 		PF00551
(Formyl_trans_N) 		5 ILE A 103
TRP A  99
LEU A  91
PHE A  95
ILE A  55
 None
 1.05A 5hw8C-3kcqA:
undetectable
5hw8H-3kcqA:
undetectable		 5hw8C-3kcqA:
17.21
5hw8H-3kcqA:
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.
3kd4 PUTATIVE PROTEASE

(Parabacteroides
distasonis) 		PF12969
(DUF3857)
PF12970
(DUF3858) 		5 ARG A 154
VAL A  70
ILE A  69
TYR A 137
LEU A 135
 None
 1.07A 5hw8C-3kd4A:
undetectable
5hw8H-3kd4A:
undetectable		 5hw8C-3kd4A:
14.37
5hw8H-3kd4A:
14.37
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.
3lp5 PUTATIVE CELL
SURFACE HYDROLASE

(Lactobacillus
plantarum) 		PF06028
(DUF915) 		5 VAL A  63
ILE A  64
LEU A  83
PHE A  66
ILE A 222
 None
 1.30A 5hw8C-3lp5A:
undetectable
5hw8H-3lp5A:
undetectable		 5hw8C-3lp5A:
18.29
5hw8H-3lp5A:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxq UNCHARACTERIZED
PROTEIN VP1736

(Vibrio
parahaemolyticus) 		PF00884
(Sulfatase) 		5 TYR A 379
VAL A 333
ILE A 336
LEU A 443
PHE A 377
 None
 1.27A 5hw8C-3lxqA:
undetectable
5hw8H-3lxqA:
undetectable		 5hw8C-3lxqA:
14.89
5hw8H-3lxqA:
14.89
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.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TRP A  90
TYR A 113
LEU A 128
PHE A 130
 None
 0.74A 5hw8C-3o5dA:
17.0
5hw8H-3o5dA:
14.2		 5hw8C-3o5dA:
27.20
5hw8H-3o5dA:
27.20
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) 		8 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TRP A  90
TYR A 113
LEU A 128
PHE A 130
 None
 0.80A 5hw8C-3o5eA:
17.1
5hw8H-3o5eA:
14.1		 5hw8C-3o5eA:
39.72
5hw8H-3o5eA:
39.72
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 VAL A 352
ILE A 581
TYR A 552
LEU A 563
ILE A 340
 None
 1.32A 5hw8C-3ob8A:
undetectable
5hw8H-3ob8A:
undetectable		 5hw8C-3ob8A:
8.28
5hw8H-3ob8A:
8.28
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
ARG A  60
VAL A  73
ILE A  74
TRP A  77
TYR A 100
LEU A 115
PHE A 117
 None
 0.72A 5hw8C-3pa7A:
17.0
5hw8H-3pa7A:
14.3		 5hw8C-3pa7A:
36.43
5hw8H-3pa7A:
36.43
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.
3r7w GTP-BINDING PROTEIN
GTR1

(Saccharomyces
cerevisiae) 		PF04670
(Gtr1_RagA) 		5 VAL A 215
ILE A 216
LEU A  52
PHE A  51
ILE A 160
 None
 1.34A 5hw8C-3r7wA:
undetectable
5hw8H-3r7wA:
undetectable		 5hw8C-3r7wA:
18.43
5hw8H-3r7wA:
18.43
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.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 TYR A 299
ARG A 355
ILE A 194
TYR A 165
LEU A 190
 None
 1.34A 5hw8C-3thzA:
undetectable
5hw8H-3thzA:
undetectable		 5hw8C-3thzA:
8.32
5hw8H-3thzA:
8.32
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.
3v4g ARGININE REPRESSOR

(Vibrio
vulnificus) 		PF01316
(Arg_repressor)
PF02863
(Arg_repressor_C) 		5 VAL A  30
ILE A  29
TYR A  67
LEU A  18
PHE A  14
 None
 1.33A 5hw8C-3v4gA:
undetectable
5hw8H-3v4gA:
undetectable		 5hw8C-3v4gA:
22.99
5hw8H-3v4gA:
22.99
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE A 573
TRP A 591
TYR A 569
LEU A 536
PHE A 535
 None
 1.08A 5hw8C-3vuoA:
undetectable
5hw8H-3vuoA:
undetectable		 5hw8C-3vuoA:
8.68
5hw8H-3vuoA:
8.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6d LYSOZYME-LIKE
CHITINOLYTIC ENZYME

(Ralstonia sp.
A-471) 		no annotation 5 TYR A 124
VAL A 202
ILE A 201
LEU A 133
PHE A 130
 None
 0.96A 5hw8C-3w6dA:
undetectable
5hw8H-3w6dA:
undetectable		 5hw8C-3w6dA:
18.82
5hw8H-3w6dA:
18.82
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		5 VAL A 145
ILE A 161
LEU A 238
PHE A 240
ILE A  46
 None
 1.34A 5hw8C-4be3A:
undetectable
5hw8H-4be3A:
undetectable		 5hw8C-4be3A:
20.00
5hw8H-4be3A:
20.00
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) 		8 TYR A 313
ASP A 324
VAL A 341
ILE A 342
TRP A 345
TYR A 368
LEU A 382
PHE A 384
 None
 0.74A 5hw8C-4bf8A:
15.6
5hw8H-4bf8A:
13.3		 5hw8C-4bf8A:
37.12
5hw8H-4bf8A:
37.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3s ALDEHYDE
DEHYDROGENASE

(Lachnoclostridium
phytofermentans) 		PF00171
(Aldedh) 		5 VAL A 244
ILE A 391
TYR A 402
LEU A 411
ILE A 354
 None
 1.14A 5hw8C-4c3sA:
undetectable
5hw8H-4c3sA:
undetectable		 5hw8C-4c3sA:
15.27
5hw8H-4c3sA:
15.27
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 TYR B 318
ILE B 325
LEU B 306
PHE B 308
ILE B 167
 None
 1.30A 5hw8C-4cakB:
undetectable
5hw8H-4cakB:
undetectable		 5hw8C-4cakB:
11.03
5hw8H-4cakB:
11.03
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		5 VAL B  95
ILE B  98
LEU B 143
PHE B 139
ILE B 248
 None
 1.24A 5hw8C-4dhiB:
undetectable
5hw8H-4dhiB:
undetectable		 5hw8C-4dhiB:
20.88
5hw8H-4dhiB:
20.88
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
LEU A 125
PHE A 127
 None
 0.45A 5hw8C-4dipA:
16.3
5hw8H-4dipA:
13.8		 5hw8C-4dipA:
34.31
5hw8H-4dipA:
34.31
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
ARG A  49
VAL A  62
ILE A  63
TRP A  66
TYR A  89
LEU A 104
PHE A 106
 FK5  A 201 ( 3.9A)
FK5  A 201 (-3.5A)
FK5  A 201 ( 3.7A)
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)
 0.71A 5hw8C-4dz3A:
17.8
5hw8H-4dz3A:
15.2		 5hw8C-4dz3A:
47.90
5hw8H-4dz3A:
47.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gdf LARGE T ANTIGEN

(Macaca mulatta
polyomavirus 1) 		PF02217
(T_Ag_DNA_bind)
PF06431
(Polyoma_lg_T_C) 		5 ARG A 357
VAL A 471
ILE A 525
PHE A 408
ILE A 520
 None
 1.30A 5hw8C-4gdfA:
undetectable
5hw8H-4gdfA:
undetectable		 5hw8C-4gdfA:
13.24
5hw8H-4gdfA:
13.24
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
ARG A  42
VAL A  55
ILE A  56
TYR A  82
LEU A  97
PHE A  99
 None
 0.77A 5hw8C-4iqcA:
18.6
5hw8H-4iqcA:
15.4		 5hw8C-4iqcA:
46.72
5hw8H-4iqcA:
46.72
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
LEU A  97
PHE A  99
 None
 0.65A 5hw8C-4iqcA:
18.6
5hw8H-4iqcA:
15.4		 5hw8C-4iqcA:
46.72
5hw8H-4iqcA:
46.72
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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 ASP A 202
ARG A 174
LEU A 233
PHE A  97
ILE A 169
 None
 1.34A 5hw8C-4itxA:
undetectable
5hw8H-4itxA:
undetectable		 5hw8C-4itxA:
14.89
5hw8H-4itxA:
14.89
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
LEU A 128
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)
 0.83A 5hw8C-4lawA:
17.6
5hw8H-4lawA:
14.8		 5hw8C-4lawA:
27.18
5hw8H-4lawA:
27.18
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
LEU A 128
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)
 0.84A 5hw8C-4lawA:
17.6
5hw8H-4lawA:
14.8		 5hw8C-4lawA:
27.18
5hw8H-4lawA:
27.18
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.
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
LEU A 106
PHE A 108
 None
 0.34A 5hw8C-4mspA:
17.3
5hw8H-4mspA:
14.3		 5hw8C-4mspA:
26.56
5hw8H-4mspA:
26.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		5 ASP A 380
ARG A 426
VAL A 440
LEU A 385
ILE A 419
 None
 1.18A 5hw8C-4mzdA:
undetectable
5hw8H-4mzdA:
undetectable		 5hw8C-4mzdA:
19.23
5hw8H-4mzdA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nnr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2

(Homo sapiens) 		PF00254
(FKBP_C) 		8 TYR A  56
ASP A  67
VAL A  85
ILE A  86
TRP A  89
TYR A 112
LEU A 127
PHE A 129
 FK5  A 201 (-4.1A)
FK5  A 201 (-3.4A)
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)
 0.31A 5hw8C-4nnrA:
15.3
5hw8H-4nnrA:
13.7		 5hw8C-4nnrA:
36.00
5hw8H-4nnrA:
36.00
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.
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
LEU A 126
PHE A 128
 None
 0.59A 5hw8C-4odmA:
11.0
5hw8H-4odmA:
9.7		 5hw8C-4odmA:
19.48
5hw8H-4odmA:
19.48
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.
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
LEU A  78
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 5hw8C-4odrA:
12.3
5hw8H-4odrA:
11.3		 5hw8C-4odrA:
26.21
5hw8H-4odrA:
26.21
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.
4oy4 CHIMERA PROTEIN OF
CALMODULIN, GPF-LIKE
PROTEIN EOSFP, AND
MYOSIN LIGHT CHAIN
KINASE

(Gallus gallus;
Lobophyllia
hemprichii;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 TYR A 184
ARG A 331
VAL A 307
TYR A 311
ILE A 203
 None
CR8  A 303 ( 3.0A)
None
None
CR8  A 303 ( 3.7A)
 1.33A 5hw8C-4oy4A:
undetectable
5hw8H-4oy4A:
undetectable		 5hw8C-4oy4A:
15.59
5hw8H-4oy4A:
15.59
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
LEU A 128
PHE A 130
 None
 0.87A 5hw8C-4r0xA:
17.6
5hw8H-4r0xA:
14.6		 5hw8C-4r0xA:
40.00
5hw8H-4r0xA:
40.00
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 ASP A 163
VAL A  93
TYR A 120
LEU A 169
ILE A  38
 None
 1.16A 5hw8C-4wy8A:
undetectable
5hw8H-4wy8A:
undetectable		 5hw8C-4wy8A:
18.61
5hw8H-4wy8A:
18.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Coccidioides
immitis) 		PF00254
(FKBP_C) 		9 TYR C  36
ASP C  56
ARG C  61
VAL C  73
ILE C  74
TRP C  77
TYR C 100
LEU C 115
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)
 0.68A 5hw8C-5b8iC:
19.0
5hw8H-5b8iC:
15.2		 5hw8C-5b8iC:
37.86
5hw8H-5b8iC:
37.86
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 ILE A  66
TYR A  62
LEU A 128
PHE A 124
ILE A 242
 None
 1.17A 5hw8C-5ce9A:
undetectable
5hw8H-5ce9A:
undetectable		 5hw8C-5ce9A:
16.62
5hw8H-5ce9A:
16.62
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.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		5 TYR A 307
VAL A 295
ILE A 262
LEU A 274
ILE A 378
 None
 1.07A 5hw8C-5eebA:
undetectable
5hw8H-5eebA:
undetectable		 5hw8C-5eebA:
12.47
5hw8H-5eebA:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exc GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 TYR I 177
ARG I  91
VAL I  67
TYR I  71
ILE I 195
 None
RC7  I  64 ( 2.7A)
None
None
RC7  I  64 ( 4.2A)
 1.36A 5hw8C-5excI:
undetectable
5hw8H-5excI:
undetectable		 5hw8C-5excI:
19.14
5hw8H-5excI:
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.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		5 VAL A 170
ILE A 174
LEU A 152
PHE A 156
ILE A 121
 None
 1.29A 5hw8C-5frsA:
undetectable
5hw8H-5frsA:
undetectable		 5hw8C-5frsA:
10.30
5hw8H-5frsA:
10.30
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
VAL A  55
ILE A  56
TRP A  59
TYR A  82
LEU A 144
PHE A 146
 None
 0.59A 5hw8C-5i7pA:
17.4
5hw8H-5i7pA:
13.9		 5hw8C-5i7pA:
32.28
5hw8H-5i7pA:
32.28
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
VAL A  55
ILE A  56
TRP A  59
TYR A  82
LEU A 145
PHE A 147
 None
 0.67A 5hw8C-5i7qA:
17.6
5hw8H-5i7qA:
14.1		 5hw8C-5i7qA:
32.94
5hw8H-5i7qA:
32.94
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
ARG A  46
VAL A  59
ILE A  60
TRP A  63
TYR A  97
LEU A 112
PHE A 114
 None
 0.63A 5hw8C-5i98A:
24.3
5hw8H-5i98A:
17.2		 5hw8C-5i98A:
100.00
5hw8H-5i98A:
100.00
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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
BD-TYPE QUINOL
OXIDASE SUBUNIT II

(Geobacillus
stearothermophilus) 		PF01654
(Cyt_bd_oxida_I)
PF02322
(Cyt_bd_oxida_II) 		5 VAL B  21
ILE B  20
LEU B 266
PHE B 262
ILE A 110
 None
 1.23A 5hw8C-5ir6B:
undetectable
5hw8H-5ir6B:
undetectable		 5hw8C-5ir6B:
15.50
5hw8H-5ir6B:
15.50
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
ARG A  43
VAL A  56
ILE A  57
TRP A  60
TYR A  83
LEU A  98
PHE A 100
 None
 0.71A 5hw8C-5j6eA:
19.8
5hw8H-5j6eA:
15.9		 5hw8C-5j6eA:
46.72
5hw8H-5j6eA:
46.72
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.
5o6u UNCHARACTERIZED
PROTEIN

(Shewanella
putrefaciens) 		no annotation 5 TYR F  81
VAL F 301
ILE F 299
LEU F  58
PHE F  82
 None
 0.93A 5hw8C-5o6uF:
undetectable
5hw8H-5o6uF:
undetectable		 5hw8C-5o6uF:
16.94
5hw8H-5o6uF:
16.94
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.
5ocl ANTI-LLAMA NANOBODY
ANTI-VGLUT NANOBODY

(Lama glama;
Vicugna pacos) 		PF07686
(V-set) 		5 TYR A  39
ASP A  37
TRP A 107
LEU A   6
ILE B  53
 None
 1.35A 5hw8C-5oclA:
undetectable
5hw8H-5oclA:
undetectable		 5hw8C-5oclA:
19.84
5hw8H-5oclA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 8 TYR A  33
ARG A  49
VAL A  62
ILE A  63
TRP A  66
TYR A  89
LEU A 104
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-3.6A)
8ZV  A 201 (-4.0A)
8ZV  A 201 (-3.3A)
8ZV  A 201 (-4.6A)
None
8ZV  A 201 (-4.6A)
 0.80A 5hw8C-5v8tA:
17.7
5hw8H-5v8tA:
15.2		 5hw8C-5v8tA:
19.33
5hw8H-5v8tA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 8 TYR A  33
ASP A  44
VAL A  62
ILE A  63
TRP A  66
TYR A  89
LEU A 104
PHE A 106
 8ZV  A 201 (-3.8A)
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)
None
8ZV  A 201 (-4.6A)
 0.36A 5hw8C-5v8tA:
17.7
5hw8H-5v8tA:
15.2		 5hw8C-5v8tA:
19.33
5hw8H-5v8tA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wxm U3 SMALL NUCLEOLAR
RIBONUCLEOPROTEIN
PROTEIN IMP3
U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN MPP10

(Saccharomyces
cerevisiae) 		PF00163
(Ribosomal_S4)
PF01479
(S4)
PF04006
(Mpp10) 		5 ASP A  53
ARG A  56
VAL A 103
ILE A 106
LEU U 448
 None
 1.28A 5hw8C-5wxmA:
undetectable
5hw8H-5wxmA:
undetectable		 5hw8C-5wxmA:
19.02
5hw8H-5wxmA:
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.
5x2g CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Campylobacter
jejuni) 		no annotation 5 TYR A 375
ASP A 358
ILE A 339
TYR A 335
LEU A 385
 None
 1.35A 5hw8C-5x2gA:
undetectable
5hw8H-5x2gA:
undetectable		 5hw8C-5x2gA:
10.57
5hw8H-5x2gA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
LEU A 213
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
 0.53A 5hw8C-5xb0A:
15.2
5hw8H-5xb0A:
12.8		 5hw8C-5xb0A:
27.94
5hw8H-5xb0A:
27.94
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.
5z0y SERINE
HYDROXYMETHYLTRANSFE
RASE

(Komagataella
phaffii) 		no annotation 6 TYR A 339
ASP A 418
VAL A 393
ILE A 395
LEU A 330
PHE A 334
 None
 1.32A 5hw8C-5z0yA:
undetectable
5hw8H-5z0yA:
undetectable		 5hw8C-5z0yA:
18.90
5hw8H-5z0yA:
18.90
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
VAL A  67
ILE A  68
TRP A  71
TYR A  94
LEU A 109
PHE A 111
 None
 0.62A 5hw8C-6b4pA:
17.7
5hw8H-6b4pA:
14.9		 5hw8C-6b4pA:
37.68
5hw8H-6b4pA:
37.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6h20 -

(-) 		no annotation 5 ASP A 129
ARG A 297
VAL A 160
ILE A 158
LEU A 287
 None
 1.36A 5hw8C-6h20A:
undetectable
5hw8H-6h20A:
undetectable		 5hw8C-6h20A:
undetectable
5hw8H-6h20A:
undetectable