SIMILAR PATTERNS OF AMINO ACIDS FOR 4ODR_B_FK5B201_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.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		5 ASP A   7
LEU A 234
ILE A 235
LEU A 231
PHE A 224
 None
 0.94A 4odrA-1b74A:
undetectable
4odrB-1b74A:
undetectable		 4odrA-1b74A:
19.69
4odrB-1b74A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 LEU A 305
ILE A 239
LEU A 243
TYR A 272
ILE A 276
 None
 0.96A 4odrA-1cb8A:
undetectable
4odrB-1cb8A:
undetectable		 4odrA-1cb8A:
12.45
4odrB-1cb8A:
12.45
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.
1e1h BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 LEU A 102
LEU A 107
LEU A 224
ILE A 225
PHE B 353
 None
 1.07A 4odrA-1e1hA:
undetectable
4odrB-1e1hA:
undetectable		 4odrA-1e1hA:
16.55
4odrB-1e1hA:
16.55
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) 		5 TYR A 131
ASP A 142
ILE A 159
TYR A 185
PHE A 202
 None
 0.62A 4odrA-1fd9A:
11.0
4odrB-1fd9A:
11.1		 4odrA-1fd9A:
19.15
4odrB-1fd9A:
19.15
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) 		6 TYR A  26
ASP A  37
ILE A  56
TYR A  82
ILE A  90
PHE A  99
 None
 0.51A 4odrA-1fkkA:
13.9
4odrB-1fkkA:
14.0		 4odrA-1fkkA:
32.79
4odrB-1fkkA:
32.79
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.
1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR

(Homo sapiens) 		PF00079
(Serpin) 		5 PRO A 395
LEU A 370
ILE A 254
LEU A 246
ILE A 392
 None
 0.90A 4odrA-1imvA:
undetectable
4odrB-1imvA:
undetectable		 4odrA-1imvA:
14.29
4odrB-1imvA:
14.29
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.
1ix5 FKBP

(Methanothermococcus
thermolithotrophicus) 		PF00254
(FKBP_C) 		5 TYR A  15
ASP A  26
LEU A  48
TYR A  84
PHE A 145
 None
 1.02A 4odrA-1ix5A:
9.4
4odrB-1ix5A:
9.4		 4odrA-1ix5A:
29.22
4odrB-1ix5A:
29.22
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.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		5 TYR A  92
ASP A 103
ILE A 120
TYR A 146
PHE A 163
 None
 0.69A 4odrA-1jvwA:
9.9
4odrB-1jvwA:
9.9		 4odrA-1jvwA:
26.88
4odrB-1jvwA:
26.88
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 835
LEU A 432
LEU A 291
ILE A 292
LEU A 288
 None
 1.05A 4odrA-1kqfA:
undetectable
4odrB-1kqfA:
undetectable		 4odrA-1kqfA:
7.06
4odrB-1kqfA:
7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ltm 36 KDA SOLUBLE LYTIC
TRANSGLYCOSYLASE

(Escherichia
coli) 		PF13406
(SLT_2) 		5 PRO A 228
LEU A 196
ILE A  81
LEU A  78
ILE A 174
 None
 1.05A 4odrA-1ltmA:
undetectable
4odrB-1ltmA:
undetectable		 4odrA-1ltmA:
15.46
4odrB-1ltmA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n1a FKBP52

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  57
ASP A  68
ILE A  87
TYR A 113
PHE A 130
 None
 0.66A 4odrA-1n1aA:
12.9
4odrB-1n1aA:
13.0		 4odrA-1n1aA:
25.17
4odrB-1n1aA:
25.17
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.
1otw COENZYME PQQ
SYNTHESIS PROTEIN C

(Klebsiella
pneumoniae) 		PF03070
(TENA_THI-4) 		5 LEU A 148
LEU A 211
LEU A 215
TYR A 128
ILE A  57
 None
None
None
PQQ  A 500 (-4.6A)
PQQ  A 500 ( 4.1A)
 1.05A 4odrA-1otwA:
undetectable
4odrB-1otwA:
undetectable		 4odrA-1otwA:
16.14
4odrB-1otwA:
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.
1pbk FKBP25

(Homo sapiens) 		PF00254
(FKBP_C) 		6 TYR A 135
ASP A 146
LEU A 162
ILE A 172
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
None
 0.48A 4odrA-1pbkA:
13.2
4odrB-1pbkA:
13.2		 4odrA-1pbkA:
28.06
4odrB-1pbkA:
28.06
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 PRO A 215
LEU A 237
LEU A 230
LEU A 330
ILE A 333
LEU A 334
 None
 1.22A 4odrA-1poxA:
undetectable
4odrB-1poxA:
undetectable		 4odrA-1poxA:
10.63
4odrB-1poxA:
10.63
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.
1pp1 P40 NUCLEOPROTEIN

(Borna disease
virus) 		PF06407
(BDV_P40) 		5 PRO X 190
LEU X  82
ILE X 226
LEU X 210
ILE X 155
 None
 1.03A 4odrA-1pp1X:
undetectable
4odrB-1pp1X:
undetectable		 4odrA-1pp1X:
14.59
4odrB-1pp1X:
14.59
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 TYR A 146
ASP A 157
ILE A 174
TYR A 200
PHE A 216
 None
 0.63A 4odrA-1q6hA:
11.1
4odrB-1q6hA:
11.0		 4odrA-1q6hA:
22.28
4odrB-1q6hA:
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 TYR A 146
LEU A 166
ILE A 174
TYR A 200
PHE A 216
 None
 0.72A 4odrA-1q6hA:
11.1
4odrB-1q6hA:
11.0		 4odrA-1q6hA:
22.28
4odrB-1q6hA:
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.
1r9h FK506 BINDING
PROTEIN FAMILY

(Caenorhabditis
elegans) 		PF00254
(FKBP_C) 		5 TYR A  40
ASP A  51
ILE A  70
TYR A  96
PHE A 113
 None
 0.71A 4odrA-1r9hA:
13.1
4odrB-1r9hA:
13.1		 4odrA-1r9hA:
23.78
4odrB-1r9hA:
23.78
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.
1t6s CONSERVED
HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF04079
(SMC_ScpB) 		5 ASP A  46
LEU A  41
LEU A  12
LEU A   9
TYR A  52
 NO3  A 407 ( 4.9A)
None
None
None
None
 1.09A 4odrA-1t6sA:
undetectable
4odrB-1t6sA:
undetectable		 4odrA-1t6sA:
20.83
4odrB-1t6sA:
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.
1u79 FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Arabidopsis
thaliana) 		PF00254
(FKBP_C) 		6 TYR A  37
ASP A  48
LEU A  57
ILE A  67
TYR A  99
PHE A 121
 None
 0.65A 4odrA-1u79A:
12.3
4odrB-1u79A:
12.2		 4odrA-1u79A:
24.11
4odrB-1u79A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1us8 DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Pyrococcus
furiosus) 		PF13476
(AAA_23)
no annotation 		5 LEU B 818
LEU A 133
LEU A  44
ILE A  43
LEU A  47
 None
 1.05A 4odrA-1us8B:
undetectable
4odrB-1us8B:
undetectable		 4odrA-1us8B:
19.50
4odrB-1us8B:
19.50
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.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		6 TYR A   4
ASP A 124
LEU A   7
ILE A 232
LEU A 209
PHE A 173
 None
 1.34A 4odrA-1xcfA:
undetectable
4odrB-1xcfA:
undetectable		 4odrA-1xcfA:
18.89
4odrB-1xcfA:
18.89
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 TYR A  26
ASP A  37
ILE A  56
TYR A  82
PHE A  99
 FK5  A 108 ( 4.0A)
FK5  A 108 ( 3.3A)
FK5  A 108 ( 3.7A)
FK5  A 108 ( 4.7A)
None
 0.33A 4odrA-1yatA:
13.5
4odrB-1yatA:
13.5		 4odrA-1yatA:
30.09
4odrB-1yatA:
30.09
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.
2ap1 PUTATIVE REGULATOR
PROTEIN

(Salmonella
enterica) 		PF00480
(ROK) 		5 LEU A 241
LEU A 249
LEU A 128
ILE A 145
PHE A 155
 None
 1.04A 4odrA-2ap1A:
undetectable
4odrB-2ap1A:
undetectable		 4odrA-2ap1A:
16.41
4odrB-2ap1A:
16.41
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.
2ass S-PHASE
KINASE-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		PF12937
(F-box-like) 		5 ASP B2187
LEU B2216
LEU B2198
ILE B2201
LEU B2202
 None
 0.93A 4odrA-2assB:
undetectable
4odrB-2assB:
undetectable		 4odrA-2assB:
14.80
4odrB-2assB:
14.80
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.
2fsw PG_0823 PROTEIN

(Porphyromonas
gingivalis) 		PF01638
(HxlR) 		5 LEU A  90
LEU A  82
ILE A  66
LEU A  65
ILE A  45
 None
 1.09A 4odrA-2fswA:
undetectable
4odrB-2fswA:
undetectable		 4odrA-2fswA:
21.55
4odrB-2fswA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2kfw FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 LEU A  32
LEU A  41
ILE A  42
LEU A  45
TYR A  68
 None
 0.95A 4odrA-2kfwA:
11.8
4odrB-2kfwA:
11.8		 4odrA-2kfwA:
31.12
4odrB-2kfwA:
31.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2kfw FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 LEU A  41
ILE A  42
LEU A  45
TYR A  68
PHE A 132
 None
 1.09A 4odrA-2kfwA:
11.8
4odrB-2kfwA:
11.8		 4odrA-2kfwA:
31.12
4odrB-2kfwA:
31.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pbc FK506-BINDING
PROTEIN 2

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  56
ASP A  67
ILE A  86
TYR A 112
PHE A 129
 PEG  A 201 (-4.4A)
None
PEG  A 201 (-3.8A)
None
None
 0.58A 4odrA-2pbcA:
14.5
4odrB-2pbcA:
14.3		 4odrA-2pbcA:
33.33
4odrB-2pbcA:
33.33
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.
2v28 PHENYLALANINE-4-HYDR
OXYLASE

(Colwellia
psychrerythraea) 		PF00351
(Biopterin_H) 		5 LEU A 211
ILE A 236
TYR A 139
ILE A 166
PHE A 205
 None
 1.04A 4odrA-2v28A:
undetectable
4odrB-2v28A:
undetectable		 4odrA-2v28A:
17.98
4odrB-2v28A:
17.98
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.
2vn1 70 KDA
PEPTIDYLPROLYL
ISOMERASE

(Plasmodium
falciparum) 		PF00254
(FKBP_C) 		5 TYR A  44
ASP A  56
ILE A  75
TYR A 101
PHE A 118
 FK5  A 501 (-4.1A)
FK5  A 501 (-3.4A)
FK5  A 501 (-4.3A)
FK5  A 501 (-4.7A)
FK5  A 501 (-4.8A)
 0.35A 4odrA-2vn1A:
13.1
4odrB-2vn1A:
13.3		 4odrA-2vn1A:
23.36
4odrB-2vn1A:
23.36
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 ASP A 480
LEU A 321
LEU A 470
ILE A 476
LEU A 491
 None
 0.89A 4odrA-2x3kA:
undetectable
4odrB-2x3kA:
undetectable		 4odrA-2x3kA:
10.48
4odrB-2x3kA:
10.48
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.
2xh1 KYNURENINE/ALPHA-AMI
NOADIPATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		6 PRO A 232
TYR A 195
ASP A 230
LEU A 146
LEU A 149
PHE A 125
 PLP  A1427 (-4.5A)
None
PLP  A1427 (-2.8A)
None
None
None
 1.31A 4odrA-2xh1A:
undetectable
4odrB-2xh1A:
undetectable		 4odrA-2xh1A:
14.72
4odrB-2xh1A:
14.72
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.
2ywn PEROXIREDOXIN-LIKE
PROTEIN

(Sulfurisphaera
tokodaii) 		PF00578
(AhpC-TSA) 		5 ASP A  10
LEU A  26
LEU A  66
ILE A  68
LEU A  33
 None
 0.95A 4odrA-2ywnA:
undetectable
4odrB-2ywnA:
undetectable		 4odrA-2ywnA:
19.38
4odrB-2ywnA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 LEU A 104
ILE A  38
LEU A  75
ILE A  59
PHE A 108
 None
 1.09A 4odrA-3a24A:
undetectable
4odrB-3a24A:
undetectable		 4odrA-3a24A:
10.02
4odrB-3a24A:
10.02
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.
3cax UNCHARACTERIZED
PROTEIN PF0695

(Pyrococcus
furiosus) 		PF01814
(Hemerythrin)
PF13596
(PAS_10) 		5 TYR A 259
LEU A 262
LEU A 203
ILE A 274
PHE A 258
 None
 1.09A 4odrA-3caxA:
undetectable
4odrB-3caxA:
undetectable		 4odrA-3caxA:
17.07
4odrB-3caxA:
17.07
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.
3ceu THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Bacteroides
thetaiotaomicron) 		PF02581
(TMP-TENI) 		5 LEU A  27
ASP A  28
ILE A  57
ILE A   4
PHE A  23
 None
 1.02A 4odrA-3ceuA:
undetectable
4odrB-3ceuA:
undetectable		 4odrA-3ceuA:
20.81
4odrB-3ceuA:
20.81
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.
3ebb PHOSPHOLIPASE
A2-ACTIVATING
PROTEIN

(Homo sapiens) 		PF08324
(PUL) 		5 PRO A 591
LEU A 599
LEU A 552
ILE A 551
LEU A 555
 None
 0.90A 4odrA-3ebbA:
undetectable
4odrB-3ebbA:
undetectable		 4odrA-3ebbA:
15.89
4odrB-3ebbA:
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.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		5 LEU A 383
ILE A 401
LEU A 395
TYR A 304
ILE A 300
 None
 0.97A 4odrA-3fsnA:
undetectable
4odrB-3fsnA:
undetectable		 4odrA-3fsnA:
12.84
4odrB-3fsnA:
12.84
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 LEU A1015
ASP A1014
LEU A1320
ILE A1403
TYR A1529
 None
 1.09A 4odrA-3hmjA:
undetectable
4odrB-3hmjA:
undetectable		 4odrA-3hmjA:
4.26
4odrB-3hmjA:
4.26
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus) 		PF01257
(2Fe-2S_thioredx) 		5 TYR 2  78
LEU 2 116
LEU 2 163
LEU 2 153
PHE 2 117
 None
 1.00A 4odrA-3i9v2:
undetectable
4odrB-3i9v2:
undetectable		 4odrA-3i9v2:
25.70
4odrB-3i9v2:
25.70
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT H

(Saccharomyces
cerevisiae) 		PF03224
(V-ATPase_H_N)
PF11698
(V-ATPase_H_C) 		5 LEU P 424
LEU P 402
ILE P 399
LEU P 398
ILE P 438
 None
 0.96A 4odrA-3j9tP:
undetectable
4odrB-3j9tP:
undetectable		 4odrA-3j9tP:
9.41
4odrB-3j9tP:
9.41
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.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  57
ASP A  68
ILE A  87
TYR A 113
PHE A 130
 None
 0.77A 4odrA-3o5dA:
11.3
4odrB-3o5dA:
11.4		 4odrA-3o5dA:
16.41
4odrB-3o5dA:
16.41
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.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  57
ASP A  68
ILE A  87
TYR A 113
PHE A 130
 None
 0.71A 4odrA-3o5eA:
12.8
4odrB-3o5eA:
12.8		 4odrA-3o5eA:
22.93
4odrB-3o5eA:
22.93
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.
3o6x GLUTAMINE SYNTHETASE

(Bacteroides
fragilis) 		PF00120
(Gln-synt_C)
PF12437
(GSIII_N) 		5 ASP A 422
LEU A 413
LEU A 372
LEU A 369
ILE A 527
 None
 1.04A 4odrA-3o6xA:
undetectable
4odrB-3o6xA:
undetectable		 4odrA-3o6xA:
9.90
4odrB-3o6xA:
9.90
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.
3ojy COMPLEMENT COMPONENT
C8 ALPHA CHAIN

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF) 		5 LEU A 350
ILE A 389
LEU A 325
ILE A 411
PHE A 346
 None
 1.01A 4odrA-3ojyA:
undetectable
4odrB-3ojyA:
undetectable		 4odrA-3ojyA:
10.69
4odrB-3ojyA:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1o GERANYLTRANSTRANSFER
ASE (ISPA)

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		5 LEU A 298
LEU A 291
LEU A 195
ILE A 191
PHE A  49
 None
 0.98A 4odrA-3q1oA:
undetectable
4odrB-3q1oA:
undetectable		 4odrA-3q1oA:
14.19
4odrB-3q1oA:
14.19
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 LEU A 768
LEU A 601
ILE A 799
LEU A 802
PHE A 781
 None
 1.09A 4odrA-3s1sA:
undetectable
4odrB-3s1sA:
undetectable		 4odrA-3s1sA:
7.86
4odrB-3s1sA:
7.86
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.
3soy NTF2-LIKE
SUPERFAMILY PROTEIN

(Salmonella
enterica) 		PF14534
(DUF4440) 		5 LEU A  55
ILE A  58
LEU A 109
TYR A  96
ILE A  91
 None
IMD  A 182 ( 4.6A)
IMD  A 182 ( 4.6A)
None
None
 1.00A 4odrA-3soyA:
undetectable
4odrB-3soyA:
undetectable		 4odrA-3soyA:
21.77
4odrB-3soyA:
21.77
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.
3to3 PETROBACTIN
BIOSYNTHESIS PROTEIN
ASBB

(Bacillus
anthracis) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 LEU A 387
LEU A 414
ILE A 415
LEU A 411
PHE A 532
 None
 1.02A 4odrA-3to3A:
undetectable
4odrB-3to3A:
undetectable		 4odrA-3to3A:
11.46
4odrB-3to3A:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqz DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Coxiella
burnetii) 		PF00692
(dUTPase) 		5 LEU A  33
ASP A  32
LEU A  20
LEU A   7
ILE A  57
 None
 0.92A 4odrA-3tqzA:
undetectable
4odrB-3tqzA:
undetectable		 4odrA-3tqzA:
23.87
4odrB-3tqzA:
23.87
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.
3v44 TOLL-LIKE RECEPTOR
5B AND VARIABLE
LYMPHOCYTE RECEPTOR
B.61 CHIMERIC
PROTEIN

(Danio rerio;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		6 PRO A 225
LEU A 289
LEU A 261
LEU A 263
ILE A 186
PHE A 241
 None
 1.18A 4odrA-3v44A:
undetectable
4odrB-3v44A:
undetectable		 4odrA-3v44A:
13.27
4odrB-3v44A:
13.27
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.
3vjj P9-1

(Rice black
streaked dwarf
virus) 		PF06043
(Reo_P9) 		5 LEU A 274
LEU A 225
LEU A 228
ILE A  73
PHE A 282
 None
 1.05A 4odrA-3vjjA:
undetectable
4odrB-3vjjA:
undetectable		 4odrA-3vjjA:
16.36
4odrB-3vjjA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 LEU A 103
LEU A 108
LEU A 225
ILE A 226
PHE A 354
 None
 1.07A 4odrA-3zusA:
undetectable
4odrB-3zusA:
undetectable		 4odrA-3zusA:
7.99
4odrB-3zusA:
7.99
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.
4a20 UBIQUITIN-LIKE
PROTEIN MDY2

(Saccharomyces
cerevisiae) 		PF00240
(ubiquitin) 		5 LEU A  99
ASP A 128
LEU A 119
LEU A 105
ILE A 106
 None
SO4  A1152 (-3.4A)
None
None
None
 1.07A 4odrA-4a20A:
undetectable
4odrB-4a20A:
undetectable		 4odrA-4a20A:
17.76
4odrB-4a20A:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		5 TYR A 313
ASP A 324
ILE A 342
TYR A 368
PHE A 384
 None
 0.85A 4odrA-4bf8A:
11.5
4odrB-4bf8A:
11.6		 4odrA-4bf8A:
23.31
4odrB-4bf8A:
23.31
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.
4c8q DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		5 LEU H 552
LEU H 559
ILE H 636
LEU H 637
ILE H 594
 None
 1.09A 4odrA-4c8qH:
undetectable
4odrB-4c8qH:
undetectable		 4odrA-4c8qH:
13.11
4odrB-4c8qH:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dz3 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		5 TYR A  33
ASP A  44
ILE A  63
TYR A  89
PHE A 106
 FK5  A 201 ( 3.9A)
FK5  A 201 (-3.5A)
FK5  A 201 (-3.8A)
FK5  A 201 (-4.7A)
FK5  A 201 (-4.8A)
 0.33A 4odrA-4dz3A:
13.5
4odrB-4dz3A:
13.3		 4odrA-4dz3A:
25.71
4odrB-4dz3A:
25.71
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 PRO A 528
LEU A 671
LEU A 640
ILE A 642
LEU A 657
 None
 1.08A 4odrA-4iglA:
undetectable
4odrB-4iglA:
undetectable		 4odrA-4iglA:
5.88
4odrB-4iglA:
5.88
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.
4je3 CENTRAL KINETOCHORE
SUBUNIT CHL4
CENTRAL KINETOCHORE
SUBUNIT IML3

(Saccharomyces
cerevisiae) 		PF05238
(CENP-N)
no annotation 		5 LEU B 402
LEU B 416
ILE B 422
LEU B 413
ILE A 192
 None
 1.00A 4odrA-4je3B:
undetectable
4odrB-4je3B:
undetectable		 4odrA-4je3B:
26.13
4odrB-4je3B:
26.13
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.
4kkd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 PRO A 434
LEU A 574
LEU A 493
ILE A 492
LEU A 556
 None
 1.02A 4odrA-4kkdA:
undetectable
4odrB-4kkdA:
undetectable		 4odrA-4kkdA:
11.78
4odrB-4kkdA:
11.78
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.
4nnr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  56
ASP A  67
ILE A  86
TYR A 112
PHE A 129
 FK5  A 201 (-4.1A)
FK5  A 201 (-3.4A)
FK5  A 201 (-3.8A)
FK5  A 201 (-4.5A)
FK5  A 201 (-4.9A)
 0.30A 4odrA-4nnrA:
15.1
4odrB-4nnrA:
14.9		 4odrA-4nnrA:
28.47
4odrB-4nnrA:
28.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4odm PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Thermus
thermophilus) 		PF00254
(FKBP_C) 		9 TYR A  13
LEU A  15
ASP A  23
LEU A  27
LEU A  36
ILE A  37
LEU A  40
TYR A  63
PHE A 128
 None
 0.63A 4odrA-4odmA:
18.6
4odrB-4odmA:
18.6		 4odrA-4odmA:
61.44
4odrB-4odmA:
61.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pju COHESIN SUBUNIT SA-2

(Homo sapiens) 		PF08514
(STAG) 		5 LEU A 204
LEU A 182
ILE A 179
ILE A 288
PHE A 121
 None
 1.02A 4odrA-4pjuA:
undetectable
4odrB-4pjuA:
undetectable		 4odrA-4pjuA:
7.97
4odrB-4pjuA:
7.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		5 LEU X 317
LEU X  32
LEU X  48
ILE X  47
LEU X  51
 None
 0.96A 4odrA-4pkaX:
undetectable
4odrB-4pkaX:
undetectable		 4odrA-4pkaX:
14.67
4odrB-4pkaX:
14.67
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.
4udn PERIPLASMIC SOLUTE
BINDING PROTEIN

(Candidatus
Liberibacter
asiaticus) 		PF01297
(ZnuA) 		5 LEU A 263
LEU A 244
LEU A 175
LEU A 178
ILE A  13
 None
 1.08A 4odrA-4udnA:
undetectable
4odrB-4udnA:
undetectable		 4odrA-4udnA:
19.07
4odrB-4udnA:
19.07
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.
4xmm NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF12110
(Nup96) 		5 LEU B 400
LEU B 390
ILE B 273
LEU B 386
PHE B 423
 None
 1.03A 4odrA-4xmmB:
undetectable
4odrB-4xmmB:
undetectable		 4odrA-4xmmB:
9.97
4odrB-4xmmB:
9.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 LEU A 137
LEU A 180
ILE A 157
LEU A 182
PHE A 118
 None
 1.07A 4odrA-4zu2A:
undetectable
4odrB-4zu2A:
undetectable		 4odrA-4zu2A:
18.61
4odrB-4zu2A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a1n AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2

(Homo sapiens) 		PF00043
(GST_C) 		5 LEU B 108
LEU B 183
ILE B 122
ILE B 201
PHE B 216
 None
 1.00A 4odrA-5a1nB:
undetectable
4odrB-5a1nB:
undetectable		 4odrA-5a1nB:
20.42
4odrB-5a1nB:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos)
PF00254
(FKBP_C) 		6 PRO A 362
TYR C  36
ASP C  56
ILE C  74
TYR C 100
PHE C 117
 EDO  C 202 ( 4.0A)
FK5  C 201 (-4.1A)
FK5  C 201 ( 3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-4.5A)
FK5  C 201 (-4.7A)
 0.63A 4odrA-5b8iA:
undetectable
4odrB-5b8iA:
undetectable		 4odrA-5b8iA:
14.57
4odrB-5b8iA:
14.57
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.
5eft P9-1

(Southern rice
black-streaked
dwarf virus) 		PF06043
(Reo_P9) 		5 LEU B 253
LEU B 204
LEU B 207
ILE B  52
PHE B 261
 None
 1.07A 4odrA-5eftB:
undetectable
4odrB-5eftB:
undetectable		 4odrA-5eftB:
16.47
4odrB-5eftB:
16.47
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.
5gj8 ACYL-COA
DEHYDROGENASE TYPE 2
DOMAIN PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		6 LEU A 189
LEU A  98
ILE A  97
LEU A 101
ILE A 173
PHE A 107
 None
 1.47A 4odrA-5gj8A:
undetectable
4odrB-5gj8A:
undetectable		 4odrA-5gj8A:
13.92
4odrB-5gj8A:
13.92
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 LEU A 532
LEU A 546
ILE A 548
ILE A 496
PHE A 564
 None
 1.09A 4odrA-5gkqA:
undetectable
4odrB-5gkqA:
undetectable		 4odrA-5gkqA:
9.02
4odrB-5gkqA:
9.02
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 LEU B 497
LEU B 441
ILE B 471
LEU B 468
TYR B 475
 None
 1.05A 4odrA-5hb4B:
undetectable
4odrB-5hb4B:
undetectable		 4odrA-5hb4B:
5.31
4odrB-5hb4B:
5.31
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.
5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM

(Pseudomonas
aeruginosa) 		PF01323
(DSBA) 		5 PRO A  95
TYR A  10
LEU A  37
LEU A  24
ILE A 127
 PRO  A  95 ( 1.1A)
TYR  A  10 ( 1.3A)
LEU  A  37 ( 0.5A)
LEU  A  24 ( 0.6A)
ILE  A 127 ( 0.7A)
 1.09A 4odrA-5hfiA:
undetectable
4odrB-5hfiA:
undetectable		 4odrA-5hfiA:
18.49
4odrB-5hfiA:
18.49
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.
5hiw CYTOCHROME P450
CYP260B1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 LEU A 237
LEU A 244
LEU A 356
LEU A 355
PHE A 127
 None
 0.81A 4odrA-5hiwA:
undetectable
4odrB-5hiwA:
undetectable		 4odrA-5hiwA:
15.33
4odrB-5hiwA:
15.33
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.
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) 		5 TYR A  26
ASP A  37
ILE A  56
TYR A  82
PHE A 146
 None
 0.58A 4odrA-5i7pA:
12.0
4odrB-5i7pA:
12.2		 4odrA-5i7pA:
23.67
4odrB-5i7pA:
23.67
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.
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 TYR A  26
ASP A  37
ILE A  56
TYR A  82
PHE A 147
 None
 0.63A 4odrA-5i7qA:
12.1
4odrB-5i7qA:
12.3		 4odrA-5i7qA:
26.70
4odrB-5i7qA:
26.70
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.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		6 TYR A  30
ASP A  41
ILE A  60
TYR A  97
ILE A 105
PHE A 114
 None
 0.70A 4odrA-5i98A:
12.8
4odrB-5i98A:
12.8		 4odrA-5i98A:
26.43
4odrB-5i98A:
26.43
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.
5j6e FK506-BINDING
PROTEIN 1A

(Aspergillus
fumigatus) 		PF00254
(FKBP_C) 		5 TYR A  27
ASP A  38
ILE A  57
TYR A  83
PHE A 100
 None
 0.58A 4odrA-5j6eA:
13.4
4odrB-5j6eA:
13.4		 4odrA-5j6eA:
28.57
4odrB-5j6eA:
28.57
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		6 LEU A 879
LEU A 551
LEU A 654
ILE A 658
LEU A 566
PHE A  21
 None
 1.44A 4odrA-5kf7A:
undetectable
4odrB-5kf7A:
undetectable		 4odrA-5kf7A:
6.32
4odrB-5kf7A:
6.32
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.
5lmg DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		5 LEU A 552
LEU A 559
ILE A 636
LEU A 637
ILE A 594
 None
None
EDO  A 806 (-4.3A)
None
None
 0.93A 4odrA-5lmgA:
undetectable
4odrB-5lmgA:
undetectable		 4odrA-5lmgA:
13.28
4odrB-5lmgA:
13.28
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.
5lxr RNA-BINDING PROTEIN
7
ZINC FINGER CCHC
DOMAIN-CONTAINING
PROTEIN 8

(Homo sapiens) 		PF00076
(RRM_1)
PF04046
(PSP) 		5 LEU B 295
ILE A  80
LEU A  70
ILE A  41
PHE A  30
 None
 1.08A 4odrA-5lxrB:
undetectable
4odrB-5lxrB:
undetectable		 4odrA-5lxrB:
14.43
4odrB-5lxrB:
14.43
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 ASP A 220
LEU A 240
LEU A 247
ILE A 249
LEU A 209
 None
 1.05A 4odrA-5n6uA:
undetectable
4odrB-5n6uA:
undetectable		 4odrA-5n6uA:
7.44
4odrB-5n6uA:
7.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 5 LEU A 226
ILE A 104
TYR A 114
ILE A 186
PHE A 240
 None
 1.05A 4odrA-5n81A:
undetectable
4odrB-5n81A:
undetectable		 4odrA-5n81A:
23.00
4odrB-5n81A:
23.00
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.
5nkm PROTEIN SMG-9

(Caenorhabditis
elegans) 		no annotation 5 LEU D 235
LEU D 279
ILE D 207
ILE D  92
PHE D 263
 None
 1.09A 4odrA-5nkmD:
undetectable
4odrB-5nkmD:
undetectable		 4odrA-5nkmD:
13.78
4odrB-5nkmD:
13.78
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 5 LEU A 299
LEU A 745
ILE A 746
LEU A 742
ILE A 265
 None
 1.01A 4odrA-5tr0A:
undetectable
4odrB-5tr0A:
undetectable		 4odrA-5tr0A:
9.47
4odrB-5tr0A:
9.47
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		5 LEU E  45
LEU E  16
ILE E  15
TYR E 121
PHE E  49
 None
 0.96A 4odrA-5u8sE:
undetectable
4odrB-5u8sE:
undetectable		 4odrA-5u8sE:
11.22
4odrB-5u8sE:
11.22
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.
5uj7 ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF13191
(AAA_16)
PF14630
(ORC5_C) 		5 LEU E 144
LEU E 130
LEU E  72
ILE E  76
LEU E  73
 None
 1.05A 4odrA-5uj7E:
undetectable
4odrB-5uj7E:
undetectable		 4odrA-5uj7E:
16.37
4odrB-5uj7E:
16.37
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.
5ujm ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF13191
(AAA_16)
PF14630
(ORC5_C) 		5 LEU E 144
LEU E 130
LEU E  72
ILE E  76
LEU E  73
 None
 1.05A 4odrA-5ujmE:
undetectable
4odrB-5ujmE:
undetectable		 4odrA-5ujmE:
13.97
4odrB-5ujmE:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 5 TYR A  33
ASP A  44
ILE A  63
TYR A  89
PHE A 106
 8ZV  A 201 (-3.8A)
8ZV  A 201 (-3.9A)
8ZV  A 201 (-4.0A)
8ZV  A 201 (-4.6A)
8ZV  A 201 (-4.6A)
 0.33A 4odrA-5v8tA:
13.2
4odrB-5v8tA:
13.1		 4odrA-5v8tA:
18.35
4odrB-5v8tA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 TYR A 147
ASP A 158
ILE A 172
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
None
None
 0.67A 4odrA-5xb0A:
10.9
4odrB-5xb0A:
11.0		 4odrA-5xb0A:
22.73
4odrB-5xb0A:
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.
5z03 MUREIN TETRAPEPTIDE
CARBOXYPEPTIDASE

(Escherichia
coli) 		no annotation 5 LEU A  57
ASP A  56
LEU A  63
LEU A 100
ILE A 102
 None
 1.03A 4odrA-5z03A:
undetectable
4odrB-5z03A:
undetectable		 4odrA-5z03A:
21.43
4odrB-5z03A:
21.43
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.
6b4p PEPTIDYLPROLYL
ISOMERASE

(Naegleria
fowleri) 		no annotation 5 TYR A  38
ASP A  49
ILE A  68
TYR A  94
PHE A 111
 None
 0.42A 4odrA-6b4pA:
12.6
4odrB-6b4pA:
12.5		 4odrA-6b4pA:
22.92
4odrB-6b4pA:
22.92
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Danio rerio;
Eptatretus
burgeri) 		no annotation 6 PRO A 225
LEU A 289
LEU A 261
LEU A 263
ILE A 186
PHE A 241
 None
 1.32A 4odrA-6bxaA:
undetectable
4odrB-6bxaA:
undetectable		 4odrA-6bxaA:
22.22
4odrB-6bxaA:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 ASP A 475
LEU A 390
LEU A 111
ILE A 434
LEU A 109
 None
 0.99A 4odrA-6cczA:
undetectable
4odrB-6cczA:
undetectable		 4odrA-6cczA:
16.24
4odrB-6cczA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f42 DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT RPAC1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU C 280
LEU C 291
ILE C 233
ILE C 239
PHE C 251
 None
 0.91A 4odrA-6f42C:
undetectable
4odrB-6f42C:
undetectable		 4odrA-6f42C:
17.27
4odrB-6f42C:
17.27
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Trypanosoma
brucei) 		no annotation 5 LEU A 518
LEU A 503
ILE A 504
LEU A 500
PHE A 493
 None
 1.04A 4odrA-6f5dA:
undetectable
4odrB-6f5dA:
undetectable		 4odrA-6f5dA:
18.52
4odrB-6f5dA:
18.52
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.
6gun -

(-) 		no annotation 5 LEU A 107
LEU A 125
ILE A 129
LEU A 126
ILE A  53
 None
 1.06A 4odrA-6gunA:
undetectable
4odrB-6gunA:
undetectable		 4odrA-6gunA:
undetectable
4odrB-6gunA:
undetectable