SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_N_TFPN201

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.
1e96 NEUTROPHIL CYTOSOL
FACTOR 2 (NCF-2) TPR
DOMAIN, RESIDUES
1-203

(Homo sapiens) 		PF07719
(TPR_2)
PF13181
(TPR_8) 		5 PHE B 183
GLY B 113
ILE B 177
CYH B  45
PHE B  29
 None
 1.42A 3ko0L-1e96B:
undetectable
3ko0N-1e96B:
undetectable		 3ko0L-1e96B:
17.77
3ko0N-1e96B:
17.77
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		5 GLY A  86
PHE A  55
GLY A 440
ILE A 422
PHE A 363
 None
 1.22A 3ko0L-1gkpA:
undetectable
3ko0N-1gkpA:
undetectable		 3ko0L-1gkpA:
14.50
3ko0N-1gkpA:
14.50
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.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		5 GLY A  65
GLY A  44
ILE A  39
PHE A 126
PHE A 313
 None
 1.46A 3ko0L-1gq8A:
undetectable
3ko0N-1gq8A:
undetectable		 3ko0L-1gq8A:
14.56
3ko0N-1gq8A:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 PHE A 339
GLY A 338
GLY A 384
ILE A 394
PHE A 331
 None
None
None
None
EMM  A1999 (-4.7A)
 1.42A 3ko0L-1gqrA:
1.3
3ko0N-1gqrA:
1.9		 3ko0L-1gqrA:
11.35
3ko0N-1gqrA:
11.35
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.
1m6u NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		5 PHE A 114
GLY A  98
PHE A  99
ILE A 157
PHE A 273
 None
SO4  A 400 (-3.1A)
None
None
None
 1.45A 3ko0L-1m6uA:
undetectable
3ko0N-1m6uA:
undetectable		 3ko0L-1m6uA:
16.09
3ko0N-1m6uA:
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.
1mnn NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		5 PHE A 114
GLY A  98
PHE A  99
ILE A 157
PHE A 273
 None
 1.49A 3ko0L-1mnnA:
undetectable
3ko0N-1mnnA:
undetectable		 3ko0L-1mnnA:
14.95
3ko0N-1mnnA:
14.95
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 143
GLY A 139
ILE A  67
CYH A 149
PHE A 152
 ANP  A 901 (-3.3A)
None
None
None
None
 1.17A 3ko0L-1pvgA:
undetectable
3ko0N-1pvgA:
undetectable		 3ko0L-1pvgA:
12.17
3ko0N-1pvgA:
12.17
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		5 GLY A  43
GLY A  95
ILE A 282
PHE A 422
PHE A 425
 HEA  A 601 ( 4.1A)
HEA  A 601 ( 4.0A)
HEA  A 602 ( 4.7A)
None
None
 1.13A 3ko0L-1qleA:
undetectable
3ko0N-1qleA:
undetectable		 3ko0L-1qleA:
10.65
3ko0N-1qleA:
10.65
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.
1sa3 TYPE II RESTRICTION
ENZYME MSPI

(Moraxella sp.) 		PF09208
(Endonuc-MspI) 		5 GLY A 240
PHE A 241
GLY A 262
ILE A 136
PHE A 163
 None
 1.22A 3ko0L-1sa3A:
undetectable
3ko0N-1sa3A:
undetectable		 3ko0L-1sa3A:
16.03
3ko0N-1sa3A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5s MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 3

(Mus musculus) 		PF02149
(KA1) 		5 PHE A  97
PHE A 107
GLY A 122
CYH A  55
CYH A  67
 None
 1.16A 3ko0L-1v5sA:
undetectable
3ko0N-1v5sA:
undetectable		 3ko0L-1v5sA:
23.26
3ko0N-1v5sA:
23.26
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.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME

(Homo sapiens) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 164
GLY A 160
ILE A  88
CYH A 170
PHE A 173
 ADP  A 901 (-3.1A)
None
None
None
None
 1.17A 3ko0L-1zxnA:
undetectable
3ko0N-1zxnA:
undetectable		 3ko0L-1zxnA:
13.07
3ko0N-1zxnA:
13.07
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 134
PHE A 135
GLY A  73
CYH A 163
PHE A 334
 None
None
None
ZN  A 402 (-2.4A)
None
 1.43A 3ko0L-2cf5A:
undetectable
3ko0N-2cf5A:
undetectable		 3ko0L-2cf5A:
13.47
3ko0N-2cf5A:
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 134
PHE A 135
GLY A  92
CYH A  47
PHE A 334
 None
None
None
ZN  A 402 (-2.4A)
None
 1.12A 3ko0L-2cf5A:
undetectable
3ko0N-2cf5A:
undetectable		 3ko0L-2cf5A:
13.47
3ko0N-2cf5A:
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.
2ejv L-THREONINE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 120
PHE A 121
GLY A  67
ILE A 146
PHE A 326
 None
 1.30A 3ko0L-2ejvA:
undetectable
3ko0N-2ejvA:
undetectable		 3ko0L-2ejvA:
13.37
3ko0N-2ejvA:
13.37
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.
2h57 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
6

(Homo sapiens) 		PF00025
(Arf) 		5 GLY A 173
GLY A 167
ILE A  34
CYH A  22
PHE A  92
 None
 1.16A 3ko0L-2h57A:
undetectable
3ko0N-2h57A:
undetectable		 3ko0L-2h57A:
18.65
3ko0N-2h57A:
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.
2h57 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
6

(Homo sapiens) 		PF00025
(Arf) 		5 PHE A 128
GLY A 167
ILE A  34
CYH A  22
PHE A  92
 None
 1.43A 3ko0L-2h57A:
undetectable
3ko0N-2h57A:
undetectable		 3ko0L-2h57A:
18.65
3ko0N-2h57A:
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.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		5 PHE A 371
PHE A 341
ILE A 330
PHE A 378
PHE A 379
 None
 1.01A 3ko0L-2o5rA:
undetectable
3ko0N-2o5rA:
undetectable		 3ko0L-2o5rA:
12.33
3ko0N-2o5rA:
12.33
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.
2og2 PUTATIVE SIGNAL
RECOGNITION PARTICLE
RECEPTOR

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 244
GLY A 122
CYH A 215
ILE A 129
MET A 130
 None
 1.30A 3ko0L-2og2A:
2.9
3ko0N-2og2A:
2.9		 3ko0L-2og2A:
16.61
3ko0N-2og2A:
16.61
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.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		5 PHE X  11
GLY X  12
PHE X 166
PHE X  94
PHE X 115
 None
 1.24A 3ko0L-2uydX:
0.9
3ko0N-2uydX:
0.9		 3ko0L-2uydX:
16.13
3ko0N-2uydX:
16.13
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.
2yq0 ORF 73

(Human
gammaherpesvirus
8) 		no annotation 5 PHE A1077
GLY A1078
GLY A1043
ILE A1024
CYH A1027
 None
 1.03A 3ko0L-2yq0A:
undetectable
3ko0N-2yq0A:
undetectable		 3ko0L-2yq0A:
16.88
3ko0N-2yq0A:
16.88
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.
2zau SELENIDE, WATER
DIKINASE

(Aquifex
aeolicus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A 224
PHE A 223
GLY A 297
CYH A 233
ILE A 232
 None
 1.29A 3ko0L-2zauA:
undetectable
3ko0N-2zauA:
undetectable		 3ko0L-2zauA:
19.15
3ko0N-2zauA:
19.15
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 GLY A   7
PHE A 296
GLY A 367
ILE A 399
PHE A 238
 None
 1.40A 3ko0L-2zktA:
undetectable
3ko0N-2zktA:
undetectable		 3ko0L-2zktA:
12.71
3ko0N-2zktA:
12.71
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.
3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Methanocaldococcus
jannaschii) 		PF13476
(AAA_23) 		5 PHE A  47
PHE A  13
GLY A  93
ILE A  84
PHE A  46
 None
 1.37A 3ko0L-3auxA:
undetectable
3ko0N-3auxA:
undetectable		 3ko0L-3auxA:
13.26
3ko0N-3auxA:
13.26
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.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 PHE A 348
PHE A 425
GLY A 203
ILE A 209
PHE A 420
 None
 1.41A 3ko0L-3cj1A:
0.8
3ko0N-3cj1A:
0.7		 3ko0L-3cj1A:
11.67
3ko0N-3cj1A:
11.67
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.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		5 PHE A 546
GLY A 583
ILE A 575
MET A 561
PHE A 531
 None
 1.47A 3ko0L-3f41A:
undetectable
3ko0N-3f41A:
undetectable		 3ko0L-3f41A:
10.39
3ko0N-3f41A:
10.39
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 842
GLY A 843
GLY A 819
ILE A 826
PHE A 761
 None
 1.44A 3ko0L-3gdhA:
undetectable
3ko0N-3gdhA:
undetectable		 3ko0L-3gdhA:
17.86
3ko0N-3gdhA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjj MALTOSE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF12464
(Mac)
PF14602
(Hexapep_2) 		5 PHE A  82
GLY A  99
CYH A  70
ILE A  90
CYH A  88
 None
 1.43A 3ko0L-3hjjA:
undetectable
3ko0N-3hjjA:
undetectable		 3ko0L-3hjjA:
19.27
3ko0N-3hjjA:
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.
3i4q APC40078

(Oleispira
antarctica) 		PF00719
(Pyrophosphatase) 		5 GLY A  57
GLY A  83
ILE A  29
PHE A  51
PHE A 138
 None
 1.19A 3ko0L-3i4qA:
undetectable
3ko0N-3i4qA:
undetectable		 3ko0L-3i4qA:
21.99
3ko0N-3i4qA:
21.99
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.
3j7y ML53

(Homo sapiens) 		PF00572
(Ribosomal_L13) 		5 PHE k  90
GLY k  71
ILE k  75
MET k  76
PHE k  33
 None
 1.28A 3ko0L-3j7yk:
undetectable
3ko0N-3j7yk:
undetectable		 3ko0L-3j7yk:
21.05
3ko0N-3j7yk:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		5 GLY A  21
ILE A  27
CYH A  56
PHE A  53
PHE A 223
 None
 1.28A 3ko0L-3javA:
undetectable
3ko0N-3javA:
undetectable		 3ko0L-3javA:
3.26
3ko0N-3javA:
3.26
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 GLY A  41
GLY A 103
ILE A 290
PHE A 430
PHE A 433
 HEA  A   1 ( 4.1A)
HEA  A   1 ( 3.8A)
HEA  A   2 ( 4.5A)
None
None
 1.29A 3ko0L-3omnA:
undetectable
3ko0N-3omnA:
0.1		 3ko0L-3omnA:
11.48
3ko0N-3omnA:
11.48
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.
3tfj GCVT-LIKE
AMINOMETHYLTRANSFERA
SE PROTEIN

(Candidatus
Pelagibacter
ubique) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A 248
PHE A 251
GLY A 306
ILE A 240
PHE A 262
 None
 1.49A 3ko0L-3tfjA:
undetectable
3ko0N-3tfjA:
undetectable		 3ko0L-3tfjA:
16.49
3ko0N-3tfjA:
16.49
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 PHE A 269
GLY A 243
PHE A 242
GLY A 272
PHE A 252
 None
EDO  A1101 (-3.2A)
None
None
None
 1.45A 3ko0L-3thcA:
undetectable
3ko0N-3thcA:
undetectable		 3ko0L-3thcA:
10.22
3ko0N-3thcA:
10.22
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.
3v3k CASPASE-9

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 GLY A 163
PHE A 198
GLY A 225
ILE A 154
PHE A 400
 None
 1.30A 3ko0L-3v3kA:
undetectable
3ko0N-3v3kA:
undetectable		 3ko0L-3v3kA:
18.15
3ko0N-3v3kA:
18.15
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.
3vba ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
SMALL SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00694
(Aconitase_C) 		5 GLY A  60
PHE A  63
GLY A 109
ILE A 105
CYH A  83
 None
 1.29A 3ko0L-3vbaA:
undetectable
3ko0N-3vbaA:
undetectable		 3ko0L-3vbaA:
21.08
3ko0N-3vbaA:
21.08
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 GLY A 371
PHE A 320
GLY A 377
ILE A 273
CYH A 296
 None
FMT  A 502 (-4.2A)
None
None
None
 1.36A 3ko0L-4f0lA:
undetectable
3ko0N-4f0lA:
undetectable		 3ko0L-4f0lA:
12.98
3ko0N-4f0lA:
12.98
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 GLY A 143
GLY A 139
ILE A  67
CYH A 149
PHE A 152
 ANP  A1202 (-3.1A)
None
None
None
None
 1.17A 3ko0L-4gfhA:
undetectable
3ko0N-4gfhA:
undetectable		 3ko0L-4gfhA:
5.97
3ko0N-4gfhA:
5.97
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		5 PHE A 401
GLY A 403
CYH A 408
ILE A 407
PHE A 468
 None
 1.28A 3ko0L-4gouA:
1.7
3ko0N-4gouA:
1.3		 3ko0L-4gouA:
13.66
3ko0N-4gouA:
13.66
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.
4hfn ALLYL ALCOHOL
DEHYDROGENASE

(Nicotiana
tabacum) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 GLY A 167
PHE A 228
GLY A 334
ILE A 255
PHE A 282
 None
None
None
NAP  A 400 (-3.8A)
NAP  A 400 (-4.6A)
 1.40A 3ko0L-4hfnA:
undetectable
3ko0N-4hfnA:
undetectable		 3ko0L-4hfnA:
14.83
3ko0N-4hfnA:
14.83
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.
4hrw CYTIDINE AND
DEOXYCYTIDYLATE
DEAMINASE
ZINC-BINDING REGION

(Nitrosomonas
europaea) 		PF00383
(dCMP_cyt_deam_1) 		5 GLY A  46
PHE A  48
GLY A  71
ILE A  80
CYH A 115
 None
None
None
None
ZN  A 201 (-2.3A)
 1.40A 3ko0L-4hrwA:
undetectable
3ko0N-4hrwA:
undetectable		 3ko0L-4hrwA:
17.50
3ko0N-4hrwA:
17.50
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.
4nfy D-3-PHOSPHOGLYCERATE
DEHYDROGENASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 209
GLY A 127
CYH A 213
ILE A 239
PHE A 253
 None
 1.47A 3ko0L-4nfyA:
undetectable
3ko0N-4nfyA:
undetectable		 3ko0L-4nfyA:
15.67
3ko0N-4nfyA:
15.67
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		5 PHE A 246
GLY A  96
GLY A  46
ILE A 276
PHE A 136
 None
 0.91A 3ko0L-4p8bA:
undetectable
3ko0N-4p8bA:
undetectable		 3ko0L-4p8bA:
15.50
3ko0N-4p8bA:
15.50
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 GLY A  75
GLY A 285
CYH A 214
ILE A 212
MET A 198
 None
FAD  A 503 (-3.3A)
None
None
None
 1.43A 3ko0L-4x4jA:
undetectable
3ko0N-4x4jA:
undetectable		 3ko0L-4x4jA:
9.27
3ko0N-4x4jA:
9.27
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3

(Saccharomyces
cerevisiae) 		no annotation 5 PHE L 448
GLY L 424
CYH L 351
ILE L 349
PHE L 375
 None
 1.34A 3ko0L-4xr7L:
undetectable
3ko0N-4xr7L:
undetectable		 3ko0L-4xr7L:
12.53
3ko0N-4xr7L:
12.53
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.
5ee5 BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 1

(Homo sapiens) 		PF16213
(DCB) 		5 PHE A  81
GLY A 114
CYH A 135
ILE A 134
CYH A  88
 None
 1.22A 3ko0L-5ee5A:
undetectable
3ko0N-5ee5A:
undetectable		 3ko0L-5ee5A:
20.59
3ko0N-5ee5A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixd TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 5 GLY A 162
PHE A 159
CYH A 189
ILE A 221
MET A 192
 None
 1.43A 3ko0L-5ixdA:
undetectable
3ko0N-5ixdA:
undetectable		 3ko0L-5ixdA:
12.01
3ko0N-5ixdA:
12.01
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.
5kew VTRC PROTEIN

(Vibrio
parahaemolyticus) 		no annotation 5 GLY B  85
PHE B 101
ILE B  58
PHE B 148
PHE B 149
 None
 1.42A 3ko0L-5kewB:
undetectable
3ko0N-5kewB:
undetectable		 3ko0L-5kewB:
22.22
3ko0N-5kewB:
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.
5kia L-THREONINE
3-DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 133
GLY A  87
GLY A 151
ILE A 139
PHE A  79
 None
None
CA  A 401 ( 4.8A)
None
None
 1.43A 3ko0L-5kiaA:
undetectable
3ko0N-5kiaA:
undetectable		 3ko0L-5kiaA:
14.87
3ko0N-5kiaA:
14.87
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 PHE A 694
GLY A 679
PHE A 678
GLY A 689
PHE A 735
 None
 1.40A 3ko0L-5l3dA:
undetectable
3ko0N-5l3dA:
undetectable		 3ko0L-5l3dA:
7.98
3ko0N-5l3dA:
7.98
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		5 GLY L  58
PHE L  54
ILE L  62
MET L  82
PHE L  85
 None
 1.10A 3ko0L-5lnkL:
undetectable
3ko0N-5lnkL:
undetectable		 3ko0L-5lnkL:
11.50
3ko0N-5lnkL:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 PHE A 114
GLY A 111
PHE A 358
ILE A 502
PHE A 239
 None
 1.14A 3ko0L-5m8jA:
undetectable
3ko0N-5m8jA:
0.0		 3ko0L-5m8jA:
11.13
3ko0N-5m8jA:
11.13
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.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens) 		no annotation 5 PHE A  23
GLY A  84
CYH A 183
ILE A 180
PHE A 284
 None
 1.33A 3ko0L-5mc5A:
0.4
3ko0N-5mc5A:
undetectable		 3ko0L-5mc5A:
22.64
3ko0N-5mc5A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n28 METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(Methanotorris
formicicus) 		PF02240
(MCR_gamma) 		5 PHE C 147
GLY C 153
PHE C  90
ILE C  34
PHE C 140
 None
 1.43A 3ko0L-5n28C:
undetectable
3ko0N-5n28C:
undetectable		 3ko0L-5n28C:
14.94
3ko0N-5n28C:
14.94
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 PHE A 420
GLY A 135
CYH A 164
PHE A 367
PHE A 428
 None
None
GLY  A 951 (-4.7A)
None
None
 1.34A 3ko0L-5x2qA:
undetectable
3ko0N-5x2qA:
undetectable		 3ko0L-5x2qA:
12.11
3ko0N-5x2qA:
12.11
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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E

(Mus musculus) 		no annotation 5 GLY A1113
CYH A1108
ILE A1136
CYH A1164
PHE A1188
 None
 1.49A 3ko0L-5yudA:
undetectable
3ko0N-5yudA:
undetectable		 3ko0L-5yudA:
25.00
3ko0N-5yudA:
25.00
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A 320
GLY A 372
ILE A 334
PHE A 487
PHE A  51
 None
 1.21A 3ko0L-6bzcA:
0.3
3ko0N-6bzcA:
0.6		 3ko0L-6bzcA:
27.08
3ko0N-6bzcA:
27.08
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.
6cg6 CADHERIN-10

(Mus musculus) 		no annotation 5 PHE A  48
GLY A  43
ILE A  96
PHE A   7
PHE A  92
 None
 1.35A 3ko0L-6cg6A:
undetectable
3ko0N-6cg6A:
undetectable		 3ko0L-6cg6A:
20.79
3ko0N-6cg6A:
20.79
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.
6d95 -

(-) 		no annotation 5 PHE A 398
GLY A 397
GLY A 403
ILE A 501
PHE A 379
 None
 1.34A 3ko0L-6d95A:
undetectable
3ko0N-6d95A:
undetectable		 3ko0L-6d95A:
undetectable
3ko0N-6d95A:
undetectable