SIMILAR PATTERNS OF AMINO ACIDS FOR 5KXI_D_NCTD402_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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		4 TYR A 429
THR A 362
TYR A 301
TRP A 409
 None
 1.46A 5kxiD-1mf1A:
0.0
5kxiE-1mf1A:
0.0		 5kxiD-1mf1A:
21.83
5kxiE-1mf1A:
21.09
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.
1nh3 DNA TOPOISOMERASE I

(Homo sapiens) 		PF01028
(Topoisom_I)
PF02919
(Topoisom_I_N)
PF14370
(Topo_C_assoc) 		4 THR A 295
CYH A 300
TYR A 242
TRP A 282
 None
 1.35A 5kxiD-1nh3A:
0.0
5kxiE-1nh3A:
0.0		 5kxiD-1nh3A:
19.86
5kxiE-1nh3A:
20.51
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.
1ons CHAPERONE PROTEIN
HCHA

(Escherichia
coli) 		no annotation 4 TRP A 228
THR A 227
TYR A 229
LEU A 157
 None
 1.00A 5kxiD-1onsA:
undetectable
5kxiE-1onsA:
undetectable		 5kxiD-1onsA:
20.05
5kxiE-1onsA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		4 TYR A  33
CYH A 279
TYR A 265
LEU A  40
 None
 1.40A 5kxiD-1poiA:
0.0
5kxiE-1poiA:
undetectable		 5kxiD-1poiA:
20.94
5kxiE-1poiA:
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 TRP A 160
THR A 163
CYH A 258
LEU A 161
 None
 1.34A 5kxiD-1uwyA:
undetectable
5kxiE-1uwyA:
undetectable		 5kxiD-1uwyA:
22.05
5kxiE-1uwyA:
22.15
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.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 TYR A 390
THR A 199
TYR A 260
LEU A 397
 None
 1.46A 5kxiD-1v5vA:
undetectable
5kxiE-1v5vA:
undetectable		 5kxiD-1v5vA:
22.60
5kxiE-1v5vA:
20.77
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 THR A 310
CYH A 470
TRP A 413
LEU A 316
 None
EUG  A1562 ( 4.3A)
FAD  A1561 ( 4.1A)
None
 1.47A 5kxiD-1w1kA:
undetectable
5kxiE-1w1kA:
0.0		 5kxiD-1w1kA:
21.14
5kxiE-1w1kA:
20.77
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.
1x5c PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 THR A 102
TYR A  97
TRP A  47
LEU A  50
 None
 1.20A 5kxiD-1x5cA:
undetectable
5kxiE-1x5cA:
undetectable		 5kxiD-1x5cA:
16.58
5kxiE-1x5cA:
14.11
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 THR A 174
CYH A 207
TRP A 168
LEU A 184
 None
 1.27A 5kxiD-1yw6A:
0.0
5kxiE-1yw6A:
undetectable		 5kxiD-1yw6A:
21.24
5kxiE-1yw6A:
19.47
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.
2aak UBIQUITIN
CONJUGATING ENZYME

(Arabidopsis
thaliana) 		PF00179
(UQ_con) 		4 TYR A  63
THR A  69
TRP A  96
LEU A  92
 None
 1.30A 5kxiD-2aakA:
undetectable
5kxiE-2aakA:
undetectable		 5kxiD-2aakA:
18.04
5kxiE-2aakA:
15.79
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.
2b3b GLUCOSE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF01547
(SBP_bac_1) 		4 THR A 148
CYH A 214
TRP A 142
LEU A 146
 None
 1.38A 5kxiD-2b3bA:
undetectable
5kxiE-2b3bA:
undetectable		 5kxiD-2b3bA:
18.25
5kxiE-2b3bA:
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.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		4 TYR A  88
TRP A 142
THR A 143
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 ( 4.7A)
CXS  A1204 (-4.7A)
 0.76A 5kxiD-2bj0A:
22.4
5kxiE-2bj0A:
21.7		 5kxiD-2bj0A:
19.49
5kxiE-2bj0A:
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.
2bw3 TRANSPOSASE

(Musca domestica) 		PF05699
(Dimer_Tnp_hAT)
PF10683
(DBD_Tnp_Hermes) 		4 THR A  85
CYH A  90
TYR B 131
LEU B 140
 None
 1.37A 5kxiD-2bw3A:
undetectable
5kxiE-2bw3A:
3.2		 5kxiD-2bw3A:
22.04
5kxiE-2bw3A:
20.22
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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 TYR A 565
THR A 384
CYH A 392
LEU A 293
 None
 1.45A 5kxiD-2ddhA:
4.0
5kxiE-2ddhA:
3.5		 5kxiD-2ddhA:
21.21
5kxiE-2ddhA:
21.75
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.
2dn8 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF00364
(Biotin_lipoyl) 		4 TYR A  45
THR A  29
TYR A  67
LEU A  75
 None
 1.38A 5kxiD-2dn8A:
undetectable
5kxiE-2dn8A:
undetectable		 5kxiD-2dn8A:
14.32
5kxiE-2dn8A:
14.17
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.
2hiv THERMOSTABLE DNA
LIGASE

(Sulfolobus
solfataricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 TYR A 125
TRP A  50
TYR A  43
LEU A  54
 None
 1.32A 5kxiD-2hivA:
undetectable
5kxiE-2hivA:
2.0		 5kxiD-2hivA:
20.42
5kxiE-2hivA:
20.51
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 TRP A 336
THR A 337
CYH A 343
TRP A 351
 None
 1.19A 5kxiD-2inpA:
undetectable
5kxiE-2inpA:
2.4		 5kxiD-2inpA:
18.27
5kxiE-2inpA:
22.35
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.
2lbo MICRONEME PROTEIN 3

(Eimeria tenella) 		PF10564
(MAR_sialic_bdg) 		4 TRP A  48
CYH A  12
CYH A  50
LEU A  93
 None
 1.35A 5kxiD-2lboA:
undetectable
5kxiE-2lboA:
undetectable		 5kxiD-2lboA:
14.84
5kxiE-2lboA:
15.38
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.
2q0v UBIQUITIN-CONJUGATIN
G ENZYME E2,
PUTATIVE

(Plasmodium
falciparum) 		PF00179
(UQ_con) 		4 TYR A  84
THR A  90
TRP A 119
LEU A 116
 None
 1.20A 5kxiD-2q0vA:
undetectable
5kxiE-2q0vA:
undetectable		 5kxiD-2q0vA:
20.79
5kxiE-2q0vA:
15.84
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		4 TYR A 129
CYH A 115
TRP A 133
LEU A 109
 None
 1.43A 5kxiD-2qzuA:
undetectable
5kxiE-2qzuA:
undetectable		 5kxiD-2qzuA:
22.67
5kxiE-2qzuA:
21.12
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.
2rrf ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 21

(Homo sapiens) 		PF16696
(ZFYVE21_C) 		4 TYR A  89
THR A  27
CYH A  39
LEU A 102
 None
 1.04A 5kxiD-2rrfA:
undetectable
5kxiE-2rrfA:
undetectable		 5kxiD-2rrfA:
15.62
5kxiE-2rrfA:
16.79
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.
2yiu CYTOCHROME C1, HEME
PROTEIN

(Paracoccus
denitrificans) 		PF02167
(Cytochrom_C1) 		4 TYR B 221
THR B 234
CYH B  82
LEU B 214
 None
None
HEC  B 500 (-1.6A)
HEC  B 500 ( 4.5A)
 1.36A 5kxiD-2yiuB:
undetectable
5kxiE-2yiuB:
undetectable		 5kxiD-2yiuB:
19.54
5kxiE-2yiuB:
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		4 TYR A   8
THR A 479
TRP A 375
LEU A 476
 None
 1.41A 5kxiD-2z5lA:
undetectable
5kxiE-2z5lA:
undetectable		 5kxiD-2z5lA:
21.02
5kxiE-2z5lA:
21.74
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.
3apo DNAJ HOMOLOG
SUBFAMILY C MEMBER
10

(Mus musculus) 		PF00085
(Thioredoxin)
PF00226
(DnaJ) 		4 THR A 275
CYH A 264
CYH A 270
TRP A 291
 None
 1.48A 5kxiD-3apoA:
undetectable
5kxiE-3apoA:
undetectable		 5kxiD-3apoA:
20.65
5kxiE-3apoA:
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.
3dan CYTOCHROME P450 74A2

(Parthenium
argentatum) 		PF00067
(p450) 		4 THR A 196
CYH A 274
TRP A 201
LEU A 240
 None
 1.41A 5kxiD-3danA:
1.6
5kxiE-3danA:
undetectable		 5kxiD-3danA:
21.25
5kxiE-3danA:
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.
3dkq PKHD-TYPE
HYDROXYLASE
SBAL_3634

(Shewanella
baltica) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 125
THR A 160
TYR A  87
LEU A 130
 None
None
None
IMD  A 502 (-4.8A)
 1.49A 5kxiD-3dkqA:
5.2
5kxiE-3dkqA:
4.7		 5kxiD-3dkqA:
21.27
5kxiE-3dkqA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eby BETA SUBUNIT OF A
PUTATIVE
AROMATIC-RING-HYDROX
YLATING DIOXYGENASE

(Novosphingobium
aromaticivorans) 		PF00866
(Ring_hydroxyl_B) 		4 TYR A  22
THR A  36
CYH A  42
LEU A  69
 None
 1.36A 5kxiD-3ebyA:
undetectable
5kxiE-3ebyA:
undetectable		 5kxiD-3ebyA:
17.44
5kxiE-3ebyA:
17.12
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 THR A 428
CYH A 281
TYR A 456
LEU A 432
 None
 1.25A 5kxiD-3fahA:
undetectable
5kxiE-3fahA:
undetectable		 5kxiD-3fahA:
17.44
5kxiE-3fahA:
17.95
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.
3gr3 NITROREDUCTASE

(Bartonella
henselae) 		PF00881
(Nitroreductase) 		4 TYR A  81
THR A 137
TRP A 147
LEU A 150
 None
 1.35A 5kxiD-3gr3A:
undetectable
5kxiE-3gr3A:
undetectable		 5kxiD-3gr3A:
18.30
5kxiE-3gr3A:
19.36
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.
3lto MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Legionella
pneumophila) 		no annotation 4 TYR A 181
TRP A 236
THR A 237
CYH A 243
 None
 1.24A 5kxiD-3ltoA:
undetectable
5kxiE-3ltoA:
undetectable		 5kxiD-3ltoA:
21.36
5kxiE-3ltoA:
18.16
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.
3onq REGULATOR OF
POLYKETIDE SYNTHASE
EXPRESSION

(Bifidobacterium
adolescentis) 		PF13556
(HTH_30) 		4 THR A 248
TYR A 245
TRP A 236
LEU A 178
 None
 1.47A 5kxiD-3onqA:
undetectable
5kxiE-3onqA:
undetectable		 5kxiD-3onqA:
20.45
5kxiE-3onqA:
21.13
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.
3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 TYR A 219
CYH A 291
TRP A 238
LEU A 333
 None
 1.45A 5kxiD-3qi3A:
6.3
5kxiE-3qi3A:
4.2		 5kxiD-3qi3A:
19.82
5kxiE-3qi3A:
21.49
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.
3sqn CONSERVED DOMAIN
PROTEIN

(Enterococcus
faecalis) 		PF05043
(Mga) 		4 TYR A 274
TRP A 268
TYR A 270
LEU A 265
 None
 1.21A 5kxiD-3sqnA:
2.5
5kxiE-3sqnA:
undetectable		 5kxiD-3sqnA:
22.09
5kxiE-3sqnA:
20.24
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 THR A 268
CYH A 247
TYR A 241
LEU A 271
 None
 1.37A 5kxiD-3sxfA:
3.2
5kxiE-3sxfA:
undetectable		 5kxiD-3sxfA:
21.38
5kxiE-3sxfA:
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.
3ue9 ADENYLOSUCCINATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF00709
(Adenylsucc_synt) 		4 TYR A 415
THR A 348
TYR A 279
TRP A 395
 None
 1.49A 5kxiD-3ue9A:
undetectable
5kxiE-3ue9A:
undetectable		 5kxiD-3ue9A:
21.43
5kxiE-3ue9A:
19.96
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.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		4 TYR A  21
TRP A 508
TYR A 485
LEU A  29
 None
 1.21A 5kxiD-3x0vA:
undetectable
5kxiE-3x0vA:
undetectable		 5kxiD-3x0vA:
22.20
5kxiE-3x0vA:
21.63
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.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  89
TRP A 143
THR A 144
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.4A)
XRS  A 301 (-3.8A)
 0.44A 5kxiD-3zdhA:
22.5
5kxiE-3zdhA:
22.8		 5kxiD-3zdhA:
19.07
5kxiE-3zdhA:
20.10
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.
4a7l MYOSIN IE HEAVY
CHAIN

(Dictyostelium
discoideum) 		PF00063
(Myosin_head) 		4 THR C 501
CYH C 478
TYR C 490
LEU C 474
 None
 1.39A 5kxiD-4a7lC:
2.2
5kxiE-4a7lC:
undetectable		 5kxiD-4a7lC:
20.28
5kxiE-4a7lC:
21.45
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		4 TYR A 653
TRP A 608
THR A 623
LEU A 629
 None
None
SO4  A1818 (-4.4A)
None
 1.23A 5kxiD-4ci8A:
undetectable
5kxiE-4ci8A:
undetectable		 5kxiD-4ci8A:
20.15
5kxiE-4ci8A:
19.70
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		4 TYR A 653
TRP A 608
THR A 623
TYR A 651
 None
None
SO4  A1818 (-4.4A)
None
 1.41A 5kxiD-4ci8A:
undetectable
5kxiE-4ci8A:
undetectable		 5kxiD-4ci8A:
20.15
5kxiE-4ci8A:
19.70
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.
4dxw ION TRANSPORT
PROTEIN

(alpha
proteobacterium
HIMB114) 		PF00520
(Ion_trans) 		4 TYR A 199
THR A 172
CYH A 207
LEU A 144
 None
None
None
BNG  A 301 ( 4.8A)
 1.40A 5kxiD-4dxwA:
5.0
5kxiE-4dxwA:
4.2		 5kxiD-4dxwA:
21.19
5kxiE-4dxwA:
19.06
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.
4guz PROBABLE ARYLAMINE
N-ACETYL TRANSFERASE

(Mycobacteroides
abscessus) 		PF00797
(Acetyltransf_2) 		4 TYR A  12
THR A  28
CYH A 124
LEU A  84
 None
 1.41A 5kxiD-4guzA:
undetectable
5kxiE-4guzA:
undetectable		 5kxiD-4guzA:
20.92
5kxiE-4guzA:
20.00
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		4 THR A 223
CYH A 320
TYR A 215
LEU A 226
 None
 1.15A 5kxiD-4icqA:
undetectable
5kxiE-4icqA:
undetectable		 5kxiD-4icqA:
22.49
5kxiE-4icqA:
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.
4j7q PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
PDR16

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 THR A 109
CYH A  89
TYR A  93
LEU A  85
 None
 1.46A 5kxiD-4j7qA:
undetectable
5kxiE-4j7qA:
undetectable		 5kxiD-4j7qA:
22.89
5kxiE-4j7qA:
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.
4knw N-ACYLNEURAMINATE-9-
PHOSPHATASE

(Homo sapiens) 		PF13419
(HAD_2) 		4 THR A  22
CYH A 149
CYH A 147
LEU A  15
 None
None
None
VO4  A 301 (-4.2A)
 1.30A 5kxiD-4knwA:
undetectable
5kxiE-4knwA:
undetectable		 5kxiD-4knwA:
20.78
5kxiE-4knwA:
23.29
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 TRP A  14
THR A  12
TRP A 281
LEU A 106
 None
 1.35A 5kxiD-4ktpA:
undetectable
5kxiE-4ktpA:
2.4		 5kxiD-4ktpA:
19.23
5kxiE-4ktpA:
20.03
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.
4mwf ENVELOPE
GLYCOPROTEIN E2

(Hepacivirus C) 		PF01560
(HCV_NS1) 		4 TYR C 613
CYH C 429
TRP C 616
LEU C 438
 None
 1.02A 5kxiD-4mwfC:
undetectable
5kxiE-4mwfC:
undetectable		 5kxiD-4mwfC:
21.35
5kxiE-4mwfC:
18.56
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 TYR A 282
THR A 321
CYH A 334
TYR A 325
 None
 1.35A 5kxiD-4n78A:
6.8
5kxiE-4n78A:
6.6		 5kxiD-4n78A:
16.04
5kxiE-4n78A:
16.15
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 TYR A 923
THR A1082
CYH A1088
LEU A1022
 None
 1.07A 5kxiD-4n78A:
6.8
5kxiE-4n78A:
6.6		 5kxiD-4n78A:
16.04
5kxiE-4n78A:
16.15
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 TYR A 923
THR A1082
CYH A1088
LEU A1022
 None
 1.23A 5kxiD-4n78A:
6.8
5kxiE-4n78A:
6.6		 5kxiD-4n78A:
16.04
5kxiE-4n78A:
16.15
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.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		4 TYR A 573
THR A  82
TYR A 103
LEU A 378
 None
 1.15A 5kxiD-4q85A:
undetectable
5kxiE-4q85A:
undetectable		 5kxiD-4q85A:
20.78
5kxiE-4q85A:
21.78
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 TYR A 467
TRP A 375
THR A 374
TRP A 445
 None
 1.32A 5kxiD-4r1dA:
undetectable
5kxiE-4r1dA:
undetectable		 5kxiD-4r1dA:
19.79
5kxiE-4r1dA:
20.77
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		4 TYR B 670
THR A 552
CYH A 450
LEU A 446
 CLA  B9023 (-4.2A)
CLA  A1124 (-3.5A)
CLA  B9023 (-4.2A)
CLA  A1137 ( 3.6A)
 1.41A 5kxiD-4rkuB:
2.7
5kxiE-4rkuB:
4.3		 5kxiD-4rkuB:
19.84
5kxiE-4rkuB:
18.41
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.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		4 TYR A  28
TRP A  26
CYH A 202
TRP A  37
 None
 1.45A 5kxiD-4uovA:
undetectable
5kxiE-4uovA:
undetectable		 5kxiD-4uovA:
18.99
5kxiE-4uovA:
19.52
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.
4uyb SEC14-LIKE PROTEIN 3

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		4 TYR A 260
CYH A  89
TYR A 100
LEU A 245
 None
EDO  A1403 ( 4.2A)
None
EDO  A1403 ( 4.2A)
 1.37A 5kxiD-4uybA:
2.5
5kxiE-4uybA:
2.4		 5kxiD-4uybA:
21.28
5kxiE-4uybA:
21.82
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		4 TYR A 242
TRP A 203
THR A 202
LEU A 250
 None
 1.30A 5kxiD-4x9eA:
2.0
5kxiE-4x9eA:
2.3		 5kxiD-4x9eA:
21.37
5kxiE-4x9eA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yii UBIQUITIN-CONJUGATIN
G ENZYME E2 C

(Homo sapiens) 		PF00179
(UQ_con) 		4 TYR U  89
THR U  95
TRP U 122
LEU U 118
 None
 1.31A 5kxiD-4yiiU:
undetectable
5kxiE-4yiiU:
undetectable		 5kxiD-4yiiU:
18.13
5kxiE-4yiiU:
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.
5a30 MITOCHONDRIAL
PROTEIN

(Gallus gallus) 		PF03828
(PAP_assoc) 		4 TYR A 202
THR A 230
CYH A 236
LEU A 193
 None
 1.43A 5kxiD-5a30A:
undetectable
5kxiE-5a30A:
undetectable		 5kxiD-5a30A:
22.24
5kxiE-5a30A:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A 122
TRP A 178
THR A 179
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.3A)
EPJ  A 300 (-3.7A)
 0.62A 5kxiD-5fjvA:
25.4
5kxiE-5fjvA:
25.9		 5kxiD-5fjvA:
55.30
5kxiE-5fjvA:
29.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g23 TYPE-IV LIKE PILIN
TTHA1219

(Thermus
thermophilus) 		no annotation 4 TRP A 155
THR A 154
TYR A 149
LEU A 209
 None
 1.39A 5kxiD-5g23A:
undetectable
5kxiE-5g23A:
undetectable		 5kxiD-5g23A:
22.08
5kxiE-5g23A:
19.85
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.
5gvb WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF12341
(Mcl1_mid) 		4 TYR A 640
TRP A 658
THR A 657
LEU A 614
 None
 1.46A 5kxiD-5gvbA:
4.4
5kxiE-5gvbA:
3.9		 5kxiD-5gvbA:
21.05
5kxiE-5gvbA:
20.08
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 TYR A 112
TRP A 319
THR A 322
LEU A 141
 None
 1.46A 5kxiD-5i1wA:
undetectable
5kxiE-5i1wA:
undetectable		 5kxiD-5i1wA:
20.23
5kxiE-5i1wA:
20.04
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		4 TYR A  57
THR A  33
CYH A  23
LEU A 129
 None
 1.46A 5kxiD-5jheA:
6.6
5kxiE-5jheA:
5.3		 5kxiD-5jheA:
18.72
5kxiE-5jheA:
21.29
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.
5kd0 AROMATIC
PRENYLTRANSFERASE

(Aspergillus
terreus) 		PF11991
(Trp_DMAT) 		4 TYR A  59
THR A  37
CYH A 103
LEU A  42
 None
 1.48A 5kxiD-5kd0A:
undetectable
5kxiE-5kd0A:
undetectable		 5kxiD-5kd0A:
21.83
5kxiE-5kd0A:
21.67
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.
5nns GLYCOSYL HYDROLASE
FAMILY 61, 2 PROTEIN

(Heterobasidion
irregulare) 		no annotation 4 TYR A 167
TRP A  78
THR A  81
LEU A 129
 None
 1.47A 5kxiD-5nnsA:
undetectable
5kxiE-5nnsA:
undetectable		 5kxiD-5nnsA:
9.07
5kxiE-5nnsA:
11.93
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.
5tey N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT

(Homo sapiens) 		PF05063
(MT-A70) 		4 THR A 410
CYH A 443
TRP A 398
LEU A 439
 None
 1.31A 5kxiD-5teyA:
undetectable
5kxiE-5teyA:
undetectable		 5kxiD-5teyA:
20.87
5kxiE-5teyA:
19.67
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.
5veh KYNURENINE
AMINOTRANSFERASE

(Aedes aegypti) 		no annotation 4 TYR A  54
THR A 256
TYR A 313
LEU A 259
 None
LLP  A 255 ( 4.4A)
None
None
 1.33A 5kxiD-5vehA:
undetectable
5kxiE-5vehA:
undetectable		 5kxiD-5vehA:
20.13
5kxiE-5vehA:
21.80
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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 4 TYR A  77
CYH A  46
TRP A  85
LEU A  42
 None
 1.42A 5kxiD-5vydA:
undetectable
5kxiE-5vydA:
2.2		 5kxiD-5vydA:
21.39
5kxiE-5vydA:
22.49
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.
5xcy GLUCANASE

(Phanerochaete
chrysosporium) 		PF01341
(Glyco_hydro_6) 		4 TYR A 256
TRP A  87
TYR A 254
LEU A 158
 None
 1.48A 5kxiD-5xcyA:
undetectable
5kxiE-5xcyA:
undetectable		 5kxiD-5xcyA:
21.56
5kxiE-5xcyA:
23.01
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.
5y7f UGGT

(Thermomyces
dupontii) 		PF01501
(Glyco_transf_8) 		4 TYR A1274
TRP A1257
TYR A1255
LEU A1261
 None
 1.32A 5kxiD-5y7fA:
undetectable
5kxiE-5y7fA:
undetectable		 5kxiD-5y7fA:
20.74
5kxiE-5y7fA:
22.11
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 4 TYR A 651
THR A 627
CYH A 588
LEU A 605
 None
 1.17A 5kxiD-5z06A:
2.5
5kxiE-5z06A:
2.5		 5kxiD-5z06A:
14.04
5kxiE-5z06A:
11.41
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 4 TYR A 651
THR A 627
CYH A 588
LEU A 605
 None
 1.32A 5kxiD-5z06A:
2.5
5kxiE-5z06A:
2.5		 5kxiD-5z06A:
14.04
5kxiE-5z06A:
11.41
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 4 TYR A 907
TRP A 827
THR A 828
LEU A 914
 None
 1.45A 5kxiD-6brsA:
undetectable
5kxiE-6brsA:
undetectable		 5kxiD-6brsA:
10.96
5kxiE-6brsA:
12.28
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.
6cnk IGG1 HEAVY CHAIN

(Mus musculus) 		no annotation 4 TYR G  33
THR G  26
CYH G  23
LEU G   5
 None
 1.35A 5kxiD-6cnkG:
undetectable
5kxiE-6cnkG:
undetectable		 5kxiD-6cnkG:
11.58
5kxiE-6cnkG:
11.06
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.
6cu5 PROTEIN ARGININE
N-METHYLTRANSFERASE

(Naegleria
fowleri) 		no annotation 4 CYH A 249
CYH A 154
TRP A 272
LEU A 126
 None
 1.23A 5kxiD-6cu5A:
undetectable
5kxiE-6cu5A:
undetectable		 5kxiD-6cu5A:
10.36
5kxiE-6cu5A:
10.87
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 TYR K 156
THR K 124
CYH K  39
TRP K 155
 None
None
ZN  K2002 (-2.3A)
None
 1.44A 5kxiD-6d6qK:
undetectable
5kxiE-6d6qK:
undetectable		 5kxiD-6d6qK:
11.17
5kxiE-6d6qK:
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.
6esd FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA

(Chromobacterium
violaceum) 		no annotation 4 TYR B 329
TRP B 318
THR B 310
LEU B 295
 None
 1.42A 5kxiD-6esdB:
undetectable
5kxiE-6esdB:
undetectable		 5kxiD-6esdB:
10.41
5kxiE-6esdB:
10.50