SIMILAR PATTERNS OF AMINO ACIDS FOR 4ODO_A_FK5A205

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) 		6 ASP A   7
LEU A 234
ILE A 235
LEU A 231
LEU A  16
PHE A 224
 None
 1.42A 4odoA-1b74A:
undetectable		 4odoA-1b74A:
22.90
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.
1drt CLAVAMINATE SYNTHASE
1

(Streptomyces
clavuligerus) 		PF02668
(TauD) 		5 ASP A  51
LEU A  46
LEU A  65
ILE A 271
LEU A  63
 None
 0.94A 4odoA-1drtA:
undetectable		 4odoA-1drtA:
19.27
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.
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
 0.64A 4odoA-1fd9A:
10.1		 4odoA-1fd9A:
22.97
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.
1fkk FK506 BINDING
PROTEIN

(Bos taurus) 		PF00254
(FKBP_C) 		5 TYR A  26
ASP A  37
ILE A  56
TYR A  82
PHE A  99
 None
 0.50A 4odoA-1fkkA:
12.1		 4odoA-1fkkA:
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.
1h6u INTERNALIN H

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 LEU A 149
LEU A 103
LEU A 116
LEU A 113
LEU A 160
 None
 1.07A 4odoA-1h6uA:
undetectable		 4odoA-1h6uA:
18.65
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A   8
LEU A 131
LEU A 146
LEU A 177
PHE A 198
 None
 1.06A 4odoA-1i7qA:
undetectable		 4odoA-1i7qA:
16.09
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.
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
 0.72A 4odoA-1jvwA:
8.8		 4odoA-1jvwA:
21.14
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.
1n1a FKBP52

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  57
ASP A  68
ILE A  87
TYR A 113
PHE A 130
 None
 0.68A 4odoA-1n1aA:
11.4		 4odoA-1n1aA:
18.24
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.
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
 0.54A 4odoA-1pbkA:
11.6		 4odoA-1pbkA:
27.10
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 LEU A 237
LEU A 230
LEU A 330
ILE A 333
LEU A 334
LEU A 210
 None
 1.35A 4odoA-1poxA:
undetectable		 4odoA-1poxA:
13.95
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.
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
 0.70A 4odoA-1q6hA:
9.8		 4odoA-1q6hA:
20.69
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.
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
 0.78A 4odoA-1q6hA:
9.8		 4odoA-1q6hA:
20.69
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.
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
 0.74A 4odoA-1r9hA:
11.6		 4odoA-1r9hA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2q LOW MOLECULAR WEIGHT
PROTEIN-TYROSINE-PHO
SPHATASE

(Mycobacterium
tuberculosis) 		PF01451
(LMWPc) 		5 LEU A 149
LEU A  34
LEU A  29
LEU A  85
PHE A  25
 None
 1.03A 4odoA-1u2qA:
undetectable		 4odoA-1u2qA:
23.12
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.
1u79 FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Arabidopsis
thaliana) 		PF00254
(FKBP_C) 		5 TYR A  37
ASP A  48
ILE A  67
TYR A  99
PHE A 121
 None
 0.61A 4odoA-1u79A:
10.9		 4odoA-1u79A:
20.13
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.
1u79 FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Arabidopsis
thaliana) 		PF00254
(FKBP_C) 		5 TYR A  37
LEU A  57
ILE A  67
TYR A  99
PHE A 121
 None
 0.47A 4odoA-1u79A:
10.9		 4odoA-1u79A:
20.13
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 TYR A  32
LEU A  35
LEU A 114
LEU A 208
LEU A 259
 None
None
NH3  A 403 ( 4.6A)
NH3  A 401 (-4.5A)
BOG  A 400 (-4.3A)
 0.88A 4odoA-1u7gA:
undetectable		 4odoA-1u7gA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ul1 FLAP ENDONUCLEASE-1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 LEU X 226
LEU X 209
ILE X 212
LEU X 213
LEU X   9
 None
 0.84A 4odoA-1ul1X:
undetectable		 4odoA-1ul1X:
18.32
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.
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
 1.08A 4odoA-1us8B:
undetectable		 4odoA-1us8B:
22.29
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.
1wdn GLUTAMINE BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		5 LEU A 204
LEU A 196
LEU A  41
LEU A  39
LEU A  31
 None
 1.07A 4odoA-1wdnA:
undetectable		 4odoA-1wdnA:
21.46
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.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		5 ASP A 124
LEU A   7
ILE A 232
LEU A 209
PHE A 173
 None
 1.08A 4odoA-1xcfA:
undetectable		 4odoA-1xcfA:
18.75
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.
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
 0.38A 4odoA-1yatA:
12.0		 4odoA-1yatA:
21.32
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.
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
 0.89A 4odoA-2assB:
undetectable		 4odoA-2assB:
17.11
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.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Anabaena sp.) 		PF05996
(Fe_bilin_red) 		5 LEU A 240
LEU A  72
LEU A  84
ILE A  83
LEU A 223
 None
 1.05A 4odoA-2g18A:
undetectable		 4odoA-2g18A:
19.61
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.
2g9f PEPTIDE N-GLYCANASE

(Mus musculus) 		PF04721
(PAW) 		5 LEU A 642
ILE A 548
LEU A 537
LEU A 611
PHE A 630
 None
 0.99A 4odoA-2g9fA:
undetectable		 4odoA-2g9fA:
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.
2h98 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 LEU A 271
ILE A 108
LEU A 105
LEU A 286
PHE A 144
 None
 1.05A 4odoA-2h98A:
undetectable		 4odoA-2h98A:
18.99
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.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 LEU A 354
LEU A 330
LEU A 340
ILE A 342
PHE A 381
 None
 1.06A 4odoA-2hr7A:
undetectable		 4odoA-2hr7A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A 696
LEU A 542
ILE A 538
LEU A 541
LEU A 653
 None
 0.95A 4odoA-2iujA:
undetectable		 4odoA-2iujA:
11.62
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 LEU A 256
LEU A 239
ILE A 236
LEU A 235
LEU A 213
 None
 0.81A 4odoA-2jgdA:
undetectable		 4odoA-2jgdA:
11.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2k8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 ASP A  24
LEU A  32
ILE A  42
LEU A  45
PHE A 132
 None
 0.98A 4odoA-2k8iA:
14.8		 4odoA-2k8iA:
47.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2k8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 LEU A  32
LEU A  41
ILE A  42
LEU A  45
PHE A 132
 None
 1.06A 4odoA-2k8iA:
14.8		 4odoA-2k8iA:
47.67
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
 1.00A 4odoA-2kfwA:
12.2		 4odoA-2kfwA:
41.12
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.
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 4odoA-2pbcA:
12.7		 4odoA-2pbcA:
22.88
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.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 LEU A 512
LEU A 525
ILE A 522
LEU A 521
LEU A 576
 None
 1.03A 4odoA-2v5dA:
undetectable		 4odoA-2v5dA:
12.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.36A 4odoA-2vn1A:
11.9		 4odoA-2vn1A:
23.46
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.
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
 0.87A 4odoA-2x3kA:
undetectable		 4odoA-2x3kA:
14.52
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.
2xot AMPHOTERIN-INDUCED
PROTEIN 1

(Mus musculus) 		PF07679
(I-set)
PF13855
(LRR_8) 		6 LEU A 141
LEU A  91
LEU A  76
ILE A 101
LEU A  98
LEU A 125
 None
 1.39A 4odoA-2xotA:
undetectable		 4odoA-2xotA:
17.73
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 LEU A 363
LEU A 443
LEU A 397
LEU A 433
PHE A 376
 None
 1.02A 4odoA-2ykyA:
undetectable		 4odoA-2ykyA:
17.09
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.
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
 1.06A 4odoA-2ywnA:
undetectable		 4odoA-2ywnA:
22.41
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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		6 LEU B 201
LEU B 153
LEU B 163
ILE B 193
LEU B 191
LEU B 223
 None
 1.14A 4odoA-3a79B:
undetectable		 4odoA-3a79B:
12.99
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.
3b33 SENSOR PROTEIN

(Vibrio
parahaemolyticus) 		PF00989
(PAS) 		5 LEU A  36
ILE A  53
LEU A  52
LEU A  89
PHE A  37
 None
 1.06A 4odoA-3b33A:
undetectable		 4odoA-3b33A:
18.24
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.
3d1l PUTATIVE NADP
OXIDOREDUCTASE
BF3122

(Bacteroides
fragilis) 		PF03807
(F420_oxidored)
PF10728
(DUF2520) 		5 LEU A 149
LEU A 156
LEU A  22
ILE A  70
LEU A  94
 None
 1.07A 4odoA-3d1lA:
undetectable		 4odoA-3d1lA:
22.76
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.
3glb HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 LEU A 271
ILE A 108
LEU A 105
LEU A 286
PHE A 144
 None
 1.06A 4odoA-3glbA:
undetectable		 4odoA-3glbA:
20.35
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.
3i3n KELCH-LIKE PROTEIN
11

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		5 LEU A 248
ILE A 249
LEU A 244
LEU A 266
PHE A 241
 None
 1.05A 4odoA-3i3nA:
undetectable		 4odoA-3i3nA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 4odoA-3i9v2:
undetectable		 4odoA-3i9v2:
25.38
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		5 LEU A 995
LEU A 940
LEU A 961
LEU A 987
LEU A1026
 None
 1.06A 4odoA-3kz1A:
undetectable		 4odoA-3kz1A:
17.19
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.
3la8 PUTATIVE PURINE
NUCLEOSIDE
PHOSPHORYLASE

(Streptococcus
mutans) 		PF01048
(PNP_UDP_1) 		5 LEU A  26
LEU A 266
ILE A 265
LEU A 269
LEU A 177
 None
 0.97A 4odoA-3la8A:
undetectable		 4odoA-3la8A:
20.26
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 778
LEU A 822
LEU A 755
LEU A 752
LEU A 914
 None
 0.96A 4odoA-3lj0A:
undetectable		 4odoA-3lj0A:
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.
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
 0.78A 4odoA-3o5dA:
10.4		 4odoA-3o5dA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.70A 4odoA-3o5eA:
11.2		 4odoA-3o5eA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.95A 4odoA-3q1oA:
undetectable		 4odoA-3q1oA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 455
ILE A 459
LEU A 419
TYR A 524
LEU A 527
 None
 1.03A 4odoA-3qdkA:
undetectable		 4odoA-3qdkA:
14.86
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.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 286
LEU A 164
ILE A 386
LEU A 168
LEU A 309
 None
 1.04A 4odoA-3rd8A:
undetectable		 4odoA-3rd8A:
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.
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
 1.05A 4odoA-3to3A:
undetectable		 4odoA-3to3A:
13.87
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.
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
 0.97A 4odoA-3tqzA:
undetectable		 4odoA-3tqzA:
24.22
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.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		5 LEU A  46
LEU A  36
LEU A  60
ILE A  64
LEU A  56
 None
 0.96A 4odoA-3zq6A:
undetectable		 4odoA-3zq6A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		5 TYR A 313
ASP A 324
ILE A 342
TYR A 368
PHE A 384
 None
 0.91A 4odoA-4bf8A:
10.9		 4odoA-4bf8A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4doh INTERLEUKIN-20

(Homo sapiens) 		PF00726
(IL10) 		5 LEU A 169
ASP A 166
LEU A  65
LEU A  86
LEU A 112
 None
 1.07A 4odoA-4dohA:
undetectable		 4odoA-4dohA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dt4 FKBP-TYPE 16 KDA
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 LEU A  17
LEU A  44
LEU A  48
LEU A 129
PHE A 136
 None
 0.97A 4odoA-4dt4A:
15.1		 4odoA-4dt4A:
26.92
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.
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)
 0.35A 4odoA-4dz3A:
11.6		 4odoA-4dz3A:
20.61
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.
4fdh CYTOCHROME P450
11B2, MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 172
LEU A 464
LEU A 323
LEU A 186
PHE A 168
 None
 0.87A 4odoA-4fdhA:
undetectable		 4odoA-4fdhA:
16.63
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.
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		5 LEU A 203
LEU A 385
ILE A 427
LEU A 430
LEU A 397
 LEU  A 203 ( 0.5A)
LEU  A 385 ( 0.6A)
ILE  A 427 ( 0.7A)
LEU  A 430 ( 0.6A)
LEU  A 397 ( 0.5A)
 1.02A 4odoA-4hneA:
undetectable		 4odoA-4hneA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		5 TYR A  26
ASP A  37
ILE A  56
TYR A  82
PHE A  99
 None
 0.71A 4odoA-4iqcA:
11.8		 4odoA-4iqcA:
24.10
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A3886
LEU A3879
LEU A3915
LEU A3847
LEU A3964
 None
 0.93A 4odoA-4kc5A:
undetectable		 4odoA-4kc5A:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.35A 4odoA-4nnrA:
13.2		 4odoA-4nnrA:
21.29
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) 		6 TYR A  13
ASP A  23
ILE A  37
LEU A  36
TYR A  63
LEU A 121
 None
 1.50A 4odoA-4odmA:
22.5		 4odoA-4odmA:
97.39
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) 		10 TYR A  13
LEU A  15
ASP A  23
LEU A  27
LEU A  36
ILE A  37
LEU A  40
TYR A  63
LEU A 121
PHE A 128
 None
 0.62A 4odoA-4odmA:
22.5		 4odoA-4odmA:
97.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4odr PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA

(Homo sapiens;
Thermus
thermophilus) 		PF00254
(FKBP_C) 		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  80
 FK5  A 201 ( 3.6A)
FK5  A 201 (-3.9A)
FK5  A 201 (-3.6A)
FK5  A 201 (-4.1A)
FK5  A 201 (-3.8A)
FK5  A 201 (-3.9A)
FK5  A 201 (-4.5A)
FK5  A 201 (-4.4A)
FK5  A 201 ( 4.8A)
 0.39A 4odoA-4odrA:
18.9		 4odoA-4odrA:
65.19
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.
4r0x 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 4odoA-4r0xA:
11.8		 4odoA-4r0xA:
23.94
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.
4v2e FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A  90
LEU A 102
ILE A 127
LEU A 156
PHE A  98
 None
 1.05A 4odoA-4v2eA:
undetectable		 4odoA-4v2eA:
17.93
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 LEU A 224
LEU A   9
ILE A  10
LEU A   6
LEU A 209
 None
 1.03A 4odoA-4wa8A:
undetectable		 4odoA-4wa8A:
17.93
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.
4zxb INSULIN RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 LEU E 354
LEU E 330
LEU E 340
ILE E 342
PHE E 381
 None
 1.02A 4odoA-4zxbE:
undetectable		 4odoA-4zxbE:
11.14
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 LEU A 512
LEU A 525
ILE A 522
LEU A 521
LEU A 576
 None
 1.02A 4odoA-4zxlA:
undetectable		 4odoA-4zxlA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Coccidioides
immitis) 		PF00254
(FKBP_C) 		5 TYR C  36
ASP C  56
ILE C  74
TYR C 100
PHE C 117
 FK5  C 201 (-4.1A)
FK5  C 201 ( 3.8A)
FK5  C 201 (-3.8A)
FK5  C 201 (-4.5A)
FK5  C 201 (-4.7A)
 0.41A 4odoA-5b8iC:
11.4		 4odoA-5b8iC:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bql FLUORESCENT PROTEIN
CYOFP

(Escherichia
coli) 		PF01353
(GFP) 		5 LEU A  62
LEU A 203
ILE A  47
LEU A  19
PHE A  59
 None
NRQ  A  67 ( 4.2A)
None
None
None
 1.07A 4odoA-5bqlA:
undetectable		 4odoA-5bqlA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eut PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA,ENDOLYSIN,PH
OSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Escherichia
virus T4;
Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00959
(Phage_lysozyme) 		5 LEU A 203
LEU A 385
ILE A 427
LEU A 430
LEU A 397
 None
 1.01A 4odoA-5eutA:
undetectable		 4odoA-5eutA:
14.86
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.
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
 1.01A 4odoA-5hb4B:
undetectable		 4odoA-5hb4B:
6.77
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.
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
 0.71A 4odoA-5hiwA:
undetectable		 4odoA-5hiwA:
18.05
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) 		6 TYR A  26
ASP A  37
ILE A  56
TYR A  82
LEU A 139
PHE A 146
 None
 0.55A 4odoA-5i7pA:
15.5		 4odoA-5i7pA:
32.60
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) 		6 TYR A  26
ASP A  37
ILE A  56
TYR A  82
LEU A 140
PHE A 147
 None
 0.61A 4odoA-5i7qA:
9.0		 4odoA-5i7qA:
30.94
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.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		5 TYR A  30
ASP A  41
ILE A  60
TYR A  97
PHE A 114
 None
 0.61A 4odoA-5i98A:
11.2		 4odoA-5i98A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ASP A 720
LEU A 820
ILE A 819
TYR A 730
LEU A 836
 None
 1.08A 4odoA-5ihrA:
undetectable		 4odoA-5ihrA:
10.46
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.
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
 0.61A 4odoA-5j6eA:
11.6		 4odoA-5j6eA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k97 FLAP ENDONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 LEU A 226
LEU A 209
ILE A 212
LEU A 213
LEU A   9
 None
 0.92A 4odoA-5k97A:
undetectable		 4odoA-5k97A:
19.94
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.
5kqv INSULIN
RECEPTOR,INSULIN
RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 LEU E 354
LEU E 330
LEU E 340
ILE E 342
PHE E 381
 None
 1.05A 4odoA-5kqvE:
undetectable		 4odoA-5kqvE:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ASP B 677
LEU B 461
ILE B 462
LEU B 458
PHE B 638
 None
 1.04A 4odoA-5kyuB:
undetectable		 4odoA-5kyuB:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m3l EXTRACELLULAR
GLOBIN-3
HEMOGLOBIN CHAIN D1

(Lumbricus
terrestris) 		PF00042
(Globin) 		5 LEU C  22
LEU C  78
LEU C 120
LEU C 124
LEU D  15
 None
HEM  C 201 ( 4.9A)
None
None
None
 1.02A 4odoA-5m3lC:
undetectable		 4odoA-5m3lC:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Psychrobacter
arcticus) 		PF01634
(HisG) 		5 LEU E  26
ILE E 219
LEU E 216
LEU E  41
PHE E  88
 None
 0.81A 4odoA-5m8hE:
undetectable		 4odoA-5m8hE:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Psychrobacter
arcticus) 		PF01634
(HisG) 		5 LEU E  26
LEU E 215
LEU E 216
LEU E  41
PHE E  88
 None
 0.92A 4odoA-5m8hE:
undetectable		 4odoA-5m8hE:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 TYR C 298
ASP C 352
LEU C 300
ILE C 128
TYR C 124
 SCY  C  88 (-4.2A)
None
None
13X  C 500 (-3.9A)
13X  C 500 (-4.9A)
 1.08A 4odoA-5mg5C:
undetectable		 4odoA-5mg5C:
16.00
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		6 LEU E  45
LEU E  16
ILE E  15
TYR E 121
LEU E  82
PHE E  49
 None
 1.16A 4odoA-5u8sE:
undetectable		 4odoA-5u8sE:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 4odoA-5uj7E:
undetectable		 4odoA-5uj7E:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 4odoA-5ujmE:
undetectable		 4odoA-5ujmE:
14.71
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.
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 4odoA-5v8tA:
11.9		 4odoA-5v8tA:
16.77
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.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 5 LEU Z 186
LEU Z 171
ILE Z 174
LEU Z 175
LEU Z  95
 None
 0.90A 4odoA-5wtiZ:
undetectable		 4odoA-5wtiZ:
9.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.70A 4odoA-5xb0A:
9.7		 4odoA-5xb0A:
22.84
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.
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
 0.95A 4odoA-5z03A:
undetectable		 4odoA-5z03A:
18.79
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.
6b4p PEPTIDYLPROLYL
ISOMERASE

(Naegleria
fowleri) 		no annotation 5 TYR A  38
ASP A  49
ILE A  68
TYR A  94
PHE A 111
 None
 0.41A 4odoA-6b4pA:
11.3		 4odoA-6b4pA:
20.11
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.
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
 0.94A 4odoA-6cczA:
undetectable		 4odoA-6cczA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.97A 4odoA-6f5dA:
undetectable		 4odoA-6f5dA:
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.
1lgq CELL CYCLE
CHECKPOINT PROTEIN
CHFR

(Homo sapiens) 		PF00498
(FHA) 		4 THR A  73
ARG A  62
GLU A  75
VAL A  64
 None
 0.74A 4odoC-1lgqA:
0.0		 4odoC-1lgqA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 THR B  53
ARG B  99
GLU B  50
VAL B 174
 None
 1.47A 4odoC-1mtyB:
undetectable		 4odoC-1mtyB:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uqw PUTATIVE BINDING
PROTEIN YLIB

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 THR A 205
ARG A 198
GLU A 214
VAL A 200
 None
ZN  A 505 ( 4.2A)
ZN  A 505 (-2.2A)
None
 1.23A 4odoC-1uqwA:
0.0		 4odoC-1uqwA:
15.18
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.
1vbk HYPOTHETICAL PROTEIN
PH1313

(Pyrococcus
horikoshii) 		PF02568
(ThiI)
PF02926
(THUMP) 		4 THR A  36
ARG A  31
GLU A  32
VAL A  35
 None
 1.38A 4odoC-1vbkA:
0.0		 4odoC-1vbkA:
20.45
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.
2b5o FERREDOXIN--NADP
REDUCTASE

(Synechococcus
sp. PCC 7002) 		PF00175
(NAD_binding_1) 		4 THR A 327
ARG A 338
GLU A 341
VAL A 333
 None
 1.38A 4odoC-2b5oA:
0.0		 4odoC-2b5oA:
16.63
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.
2bmf RNA HELICASE

(Dengue virus) 		PF07652
(Flavi_DEAD) 		4 THR A 450
ARG A 457
GLU A 412
VAL A 449
 None
 1.28A 4odoC-2bmfA:
0.0		 4odoC-2bmfA:
17.11
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.
2iyk REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF09416
(UPF1_Zn_bind) 		4 THR A  59
ARG A  79
GLU A  57
VAL A  70
 None
 1.29A 4odoC-2iykA:
undetectable		 4odoC-2iykA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		4 THR A 450
ARG A 457
GLU A 412
VAL A 449
 GOL  A1624 ( 4.4A)
None
None
None
 1.08A 4odoC-2jlsA:
0.0		 4odoC-2jlsA:
17.19
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 THR A 189
ARG A 187
GLU A 186
VAL A 166
 None
 1.31A 4odoC-2uuuA:
0.0		 4odoC-2uuuA:
15.47
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.
2v9k UNCHARACTERIZED
PROTEIN FLJ32312

(Homo sapiens) 		no annotation 4 THR A 444
ARG A 447
GLU A 488
VAL A 448
 None
CL  A1529 (-3.8A)
CL  A1529 ( 4.9A)
None
 1.36A 4odoC-2v9kA:
0.0		 4odoC-2v9kA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF07652
(Flavi_DEAD) 		4 THR A 450
ARG A 457
GLU A 412
VAL A 449
 None
 1.09A 4odoC-2whxA:
undetectable		 4odoC-2whxA:
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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 THR A 202
ARG A 559
GLU A 168
VAL A 201
 None
 1.39A 4odoC-2xijA:
undetectable		 4odoC-2xijA:
13.13
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.
2zoo PROBABLE NITRITE
REDUCTASE

(Pseudoalteromonas
haloplanktis) 		PF00034
(Cytochrom_C)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 THR A 213
ARG A 215
GLU A 265
VAL A 153
 None
 0.94A 4odoC-2zooA:
undetectable		 4odoC-2zooA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ejf NON-STRUCTURAL
PROTEIN 3

(Avian
coronavirus) 		PF01661
(Macro) 		4 THR A 151
ARG A 153
GLU A  11
VAL A 120
 None
 1.23A 4odoC-3ejfA:
undetectable		 4odoC-3ejfA:
21.69
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.
3eo2 NEUROEPITHELIAL
CELL-TRANSFORMING
GENE 1 PROTEIN

(Homo sapiens) 		PF00621
(RhoGEF) 		4 THR A 245
ARG A 175
GLU A 172
VAL A 246
 None
 1.47A 4odoC-3eo2A:
undetectable		 4odoC-3eo2A:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g2p PCZA361.24

(Amycolatopsis
orientalis) 		PF13649
(Methyltransf_25) 		4 THR A 227
ARG A 229
GLU A 210
VAL A  10
 None
 1.00A 4odoC-3g2pA:
undetectable		 4odoC-3g2pA:
18.21
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.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		4 THR A  53
ARG A 170
GLU A 299
VAL A  52
 None
None
CL  A 396 ( 4.0A)
CL  A 396 ( 4.6A)
 1.30A 4odoC-3gcfA:
undetectable		 4odoC-3gcfA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 THR A  93
ARG A 149
GLU A 145
VAL A  95
 None
 1.40A 4odoC-3h6tA:
undetectable		 4odoC-3h6tA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ol2 PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 THR B  70
ARG B 122
GLU B 120
VAL B  68
 None
 1.44A 4odoC-3ol2B:
0.5		 4odoC-3ol2B:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fer EXPANSIN-YOAJ

(Bacillus
subtilis) 		PF03330
(DPBB_1) 		4 THR A 175
ARG A 173
GLU A 142
VAL A 181
 None
 1.03A 4odoC-4ferA:
undetectable		 4odoC-4ferA:
19.82
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.
4kmr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Sanguibacter
keddieii) 		PF13377
(Peripla_BP_3) 		4 THR A 298
ARG A 336
GLU A 300
VAL A 338
 None
 1.04A 4odoC-4kmrA:
undetectable		 4odoC-4kmrA:
22.14
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.
4w8y CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		4 THR A 220
ARG A 413
GLU A 377
VAL A 373
 None
 1.38A 4odoC-4w8yA:
undetectable		 4odoC-4w8yA:
10.47
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.
4xh9 NEUROEPITHELIAL
CELL-TRANSFORMING
GENE 1 PROTEIN

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 THR A 245
ARG A 175
GLU A 172
VAL A 246
 None
 1.42A 4odoC-4xh9A:
undetectable		 4odoC-4xh9A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 THR A2624
ARG A2586
GLU A2757
VAL A2620
 None
 1.37A 4odoC-4z37A:
0.3		 4odoC-4z37A:
13.47
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 4 THR A 234
ARG A 236
GLU A 228
VAL A 237
 None
 1.36A 4odoC-5ah0A:
undetectable		 4odoC-5ah0A:
15.76
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.
5b4w PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 THR A  70
ARG A 122
GLU A 120
VAL A  68
 None
 1.43A 4odoC-5b4wA:
undetectable		 4odoC-5b4wA:
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.
5cww NUCLEOPORIN NUP159
NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 4 THR B 475
ARG C1467
GLU B 386
VAL C1465
 None
 0.96A 4odoC-5cwwB:
undetectable		 4odoC-5cwwB:
12.88
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 THR A 385
ARG A 685
GLU A 386
VAL A 382
 None
 1.41A 4odoC-5ehkA:
undetectable		 4odoC-5ehkA:
9.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5guh PIWI

(Bombyx mori) 		PF02170
(PAZ)
PF02171
(Piwi) 		4 THR A 537
ARG A 542
GLU A 546
VAL A 570
 None
 1.45A 4odoC-5guhA:
0.8		 4odoC-5guhA:
10.79
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.
5ihx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Aspergillus
nidulans) 		PF00579
(tRNA-synt_1b) 		4 THR A 318
ARG A 241
GLU A 238
VAL A 319
 None
 1.48A 4odoC-5ihxA:
undetectable		 4odoC-5ihxA:
18.21
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.
5lw3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 4 THR A 184
ARG A 163
GLU A 186
VAL A 161
 None
 0.94A 4odoC-5lw3A:
undetectable		 4odoC-5lw3A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m22 HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT
HYDROQUINONE
DIOXYGENASE SMALL
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 4 THR B 290
ARG B 288
GLU A  20
VAL B 274
 None
 1.07A 4odoC-5m22B:
undetectable		 4odoC-5m22B:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 THR A 530
ARG A 537
GLU A 493
VAL A 529
 None
 1.21A 4odoC-5n94A:
undetectable		 4odoC-5n94A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u8z CAROTENOID OXYGENASE
1

(Neurospora
crassa) 		PF03055
(RPE65) 		4 THR A 204
ARG A 394
GLU A 254
VAL A 203
 None
 1.20A 4odoC-5u8zA:
undetectable		 4odoC-5u8zA:
14.61
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 THR A 812
ARG A 766
GLU A 822
VAL A 837
 None
 1.40A 4odoC-5wmmA:
0.0		 4odoC-5wmmA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6n HELICASE DOMAIN FROM
GENOME POLYPROTEIN

(Zika virus) 		no annotation 4 THR A 449
ARG A 456
GLU A 413
VAL A 448
 None
 1.08A 4odoC-5y6nA:
undetectable		 4odoC-5y6nA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6deg BETA SLIDING CLAMP

(Bartonella
birtlesii) 		no annotation 4 THR A   4
ARG A   2
GLU A  62
VAL A  88
 None
 1.04A 4odoC-6degA:
undetectable		 4odoC-6degA:
18.79