SIMILAR PATTERNS OF AMINO ACIDS FOR 5KXI_A_NCTA402_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.
1h8l CARBOXYPEPTIDASE
GP180 RESIDUES
503-882

(Lophonetta
specularioides) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 TRP A 168
THR A 171
CYH A 266
LEU A 169
 None
 1.37A 5kxiA-1h8lA:
0.0
5kxiB-1h8lA:
undetectable		 5kxiA-1h8lA:
19.76
5kxiB-1h8lA:
22.79
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		4 TYR A 429
THR A 362
TYR A 301
TRP A 409
 None
 1.48A 5kxiA-1mf1A:
0.0
5kxiB-1mf1A:
0.0		 5kxiA-1mf1A:
21.83
5kxiB-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
 1.38A 5kxiA-1nh3A:
0.0
5kxiB-1nh3A:
2.0		 5kxiA-1nh3A:
19.86
5kxiB-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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		4 TYR A  33
CYH A 279
TYR A 265
LEU A  40
 None
 1.44A 5kxiA-1poiA:
undetectable
5kxiB-1poiA:
undetectable		 5kxiA-1poiA:
20.94
5kxiB-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
 1.35A 5kxiA-1uwyA:
undetectable
5kxiB-1uwyA:
0.0		 5kxiA-1uwyA:
22.05
5kxiB-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
 1.48A 5kxiA-1v5vA:
undetectable
5kxiB-1v5vA:
undetectable		 5kxiA-1v5vA:
22.60
5kxiB-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.
1x5c PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 THR A 102
TYR A  97
TRP A  47
LEU A  50
 None
 1.22A 5kxiA-1x5cA:
undetectable
5kxiB-1x5cA:
undetectable		 5kxiA-1x5cA:
16.58
5kxiB-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 5kxiA-1yw6A:
0.0
5kxiB-1yw6A:
undetectable		 5kxiA-1yw6A:
21.24
5kxiB-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
 1.23A 5kxiA-2aakA:
undetectable
5kxiB-2aakA:
undetectable		 5kxiA-2aakA:
18.04
5kxiB-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.
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)
 0.75A 5kxiA-2bj0A:
22.6
5kxiB-2bj0A:
21.8		 5kxiA-2bj0A:
19.49
5kxiB-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
 1.41A 5kxiA-2bw3A:
2.6
5kxiB-2bw3A:
3.0		 5kxiA-2bw3A:
22.04
5kxiB-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
 1.42A 5kxiA-2ddhA:
3.1
5kxiB-2ddhA:
3.6		 5kxiA-2ddhA:
21.21
5kxiB-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 5kxiA-2dn8A:
undetectable
5kxiB-2dn8A:
undetectable		 5kxiA-2dn8A:
14.32
5kxiB-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 5kxiA-2hivA:
undetectable
5kxiB-2hivA:
undetectable		 5kxiA-2hivA:
20.42
5kxiB-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.
2izp PUTATIVE MEMBRANE
ANTIGEN

(Burkholderia
pseudomallei) 		PF06511
(IpaD) 		4 TYR A1254
THR A1247
TRP A1257
LEU A1242
 None
 1.50A 5kxiA-2izpA:
6.7
5kxiB-2izpA:
5.9		 5kxiA-2izpA:
21.92
5kxiB-2izpA:
21.19
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.
2lbo MICRONEME PROTEIN 3

(Eimeria tenella) 		PF10564
(MAR_sialic_bdg) 		4 TRP A  48
CYH A  12
CYH A  50
LEU A  93
 None
 1.38A 5kxiA-2lboA:
undetectable
5kxiB-2lboA:
undetectable		 5kxiA-2lboA:
14.84
5kxiB-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
 1.16A 5kxiA-2q0vA:
undetectable
5kxiB-2q0vA:
undetectable		 5kxiA-2q0vA:
20.79
5kxiB-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
 1.40A 5kxiA-2qzuA:
undetectable
5kxiB-2qzuA:
undetectable		 5kxiA-2qzuA:
22.67
5kxiB-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
 1.12A 5kxiA-2rrfA:
undetectable
5kxiB-2rrfA:
undetectable		 5kxiA-2rrfA:
15.62
5kxiB-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.
2vcl CYANOBACTERIAL
PHYCOERYTHROBILIN

(Prochlorococcus
phage P-SSM2) 		PF05996
(Fe_bilin_red) 		4 TYR A  27
CYH A 159
TYR A 167
TRP A  24
 None
 1.38A 5kxiA-2vclA:
undetectable
5kxiB-2vclA:
undetectable		 5kxiA-2vclA:
22.22
5kxiB-2vclA:
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.
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)
 1.43A 5kxiA-2yiuB:
undetectable
5kxiB-2yiuB:
undetectable		 5kxiA-2yiuB:
19.54
5kxiB-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
 1.39A 5kxiA-2z5lA:
undetectable
5kxiB-2z5lA:
undetectable		 5kxiA-2z5lA:
21.02
5kxiB-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
 1.47A 5kxiA-3apoA:
undetectable
5kxiB-3apoA:
undetectable		 5kxiA-3apoA:
20.65
5kxiB-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
 1.46A 5kxiA-3danA:
1.9
5kxiB-3danA:
undetectable		 5kxiA-3danA:
21.25
5kxiB-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)
 1.48A 5kxiA-3dkqA:
4.6
5kxiB-3dkqA:
4.7		 5kxiA-3dkqA:
21.27
5kxiB-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
 1.41A 5kxiA-3ebyA:
undetectable
5kxiB-3ebyA:
undetectable		 5kxiA-3ebyA:
17.44
5kxiB-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
 1.20A 5kxiA-3fahA:
undetectable
5kxiB-3fahA:
undetectable		 5kxiA-3fahA:
17.44
5kxiB-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
 1.30A 5kxiA-3gr3A:
undetectable
5kxiB-3gr3A:
undetectable		 5kxiA-3gr3A:
18.30
5kxiB-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
 1.25A 5kxiA-3ltoA:
undetectable
5kxiB-3ltoA:
undetectable		 5kxiA-3ltoA:
21.36
5kxiB-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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 THR C 136
CYH C 245
TYR C 272
LEU C 195
 None
None
KCX  C 218 ( 4.5A)
KCX  C 218 ( 4.2A)
 1.45A 5kxiA-3qgkC:
undetectable
5kxiB-3qgkC:
undetectable		 5kxiA-3qgkC:
19.07
5kxiB-3qgkC:
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.
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
 1.41A 5kxiA-3qi3A:
3.9
5kxiB-3qi3A:
4.2		 5kxiA-3qi3A:
19.82
5kxiB-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
 1.24A 5kxiA-3sqnA:
2.4
5kxiB-3sqnA:
undetectable		 5kxiA-3sqnA:
22.09
5kxiB-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
 1.39A 5kxiA-3sxfA:
2.8
5kxiB-3sxfA:
2.6		 5kxiA-3sxfA:
21.38
5kxiB-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.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		4 TYR A  21
TRP A 508
TYR A 485
LEU A  29
 None
 1.22A 5kxiA-3x0vA:
undetectable
5kxiB-3x0vA:
undetectable		 5kxiA-3x0vA:
22.20
5kxiB-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 5kxiA-3zdhA:
22.4
5kxiB-3zdhA:
22.9		 5kxiA-3zdhA:
19.07
5kxiB-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 5kxiA-4a7lC:
undetectable
5kxiB-4a7lC:
undetectable		 5kxiA-4a7lC:
20.28
5kxiB-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
 1.18A 5kxiA-4ci8A:
undetectable
5kxiB-4ci8A:
undetectable		 5kxiA-4ci8A:
20.15
5kxiB-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
 1.39A 5kxiA-4ci8A:
undetectable
5kxiB-4ci8A:
undetectable		 5kxiA-4ci8A:
20.15
5kxiB-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)
 1.41A 5kxiA-4dxwA:
4.1
5kxiB-4dxwA:
4.2		 5kxiA-4dxwA:
21.19
5kxiB-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.
4hl4 TBC1 DOMAIN FAMILY
MEMBER 20

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		4 TYR A 239
TRP A 224
THR A 223
LEU A 174
 None
 1.41A 5kxiA-4hl4A:
undetectable
5kxiB-4hl4A:
undetectable		 5kxiA-4hl4A:
21.41
5kxiB-4hl4A:
21.31
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.
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
 1.43A 5kxiA-4j7qA:
undetectable
5kxiB-4j7qA:
undetectable		 5kxiA-4j7qA:
22.89
5kxiB-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)
 1.31A 5kxiA-4knwA:
undetectable
5kxiB-4knwA:
undetectable		 5kxiA-4knwA:
20.78
5kxiB-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
 1.39A 5kxiA-4ktpA:
2.6
5kxiB-4ktpA:
2.6		 5kxiA-4ktpA:
19.23
5kxiB-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 5kxiA-4mwfC:
undetectable
5kxiB-4mwfC:
undetectable		 5kxiA-4mwfC:
21.35
5kxiB-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
 1.36A 5kxiA-4n78A:
6.7
5kxiB-4n78A:
6.7		 5kxiA-4n78A:
16.04
5kxiB-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
 1.06A 5kxiA-4n78A:
6.7
5kxiB-4n78A:
6.7		 5kxiA-4n78A:
16.04
5kxiB-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
 1.17A 5kxiA-4n78A:
6.7
5kxiB-4n78A:
6.7		 5kxiA-4n78A:
16.04
5kxiB-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
 1.18A 5kxiA-4q85A:
2.8
5kxiB-4q85A:
2.7		 5kxiA-4q85A:
20.78
5kxiB-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
 1.30A 5kxiA-4r1dA:
undetectable
5kxiB-4r1dA:
undetectable		 5kxiA-4r1dA:
19.79
5kxiB-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)
 1.44A 5kxiA-4rkuB:
2.6
5kxiB-4rkuB:
4.3		 5kxiA-4rkuB:
19.84
5kxiB-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
 1.44A 5kxiA-4uovA:
undetectable
5kxiB-4uovA:
undetectable		 5kxiA-4uovA:
18.99
5kxiB-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)
 1.29A 5kxiA-4uybA:
2.5
5kxiB-4uybA:
2.5		 5kxiA-4uybA:
21.28
5kxiB-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
 1.31A 5kxiA-4x9eA:
2.0
5kxiB-4x9eA:
2.4		 5kxiA-4x9eA:
21.37
5kxiB-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
 1.24A 5kxiA-4yiiU:
undetectable
5kxiB-4yiiU:
undetectable		 5kxiA-4yiiU:
18.13
5kxiB-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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 THR A 245
CYH A 224
TYR A 218
LEU A 248
 None
 1.47A 5kxiA-4ysjA:
2.1
5kxiB-4ysjA:
2.1		 5kxiA-4ysjA:
20.48
5kxiB-4ysjA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		4 TYR A  22
THR A  52
TRP A 433
LEU A 434
 None
None
BG6  A 501 (-4.1A)
None
 1.47A 5kxiA-4zfmA:
undetectable
5kxiB-4zfmA:
undetectable		 5kxiA-4zfmA:
22.49
5kxiB-4zfmA:
19.88
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.
5edj FRPC OPERON PROTEIN

(Neisseria
meningitidis) 		PF06901
(FrpC) 		4 TYR A 109
THR A 222
TRP A 116
LEU A 245
 None
 1.18A 5kxiA-5edjA:
undetectable
5kxiB-5edjA:
undetectable		 5kxiA-5edjA:
20.05
5kxiB-5edjA:
19.61
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 5kxiA-5fjvA:
25.5
5kxiB-5fjvA:
25.9		 5kxiA-5fjvA:
55.30
5kxiB-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.
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
 1.48A 5kxiA-5gvbA:
3.8
5kxiB-5gvbA:
3.8		 5kxiA-5gvbA:
21.05
5kxiB-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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 TYR A1282
TRP A1265
TYR A1263
LEU A1269
 None
 1.29A 5kxiA-5mzoA:
undetectable
5kxiB-5mzoA:
undetectable		 5kxiA-5mzoA:
14.40
5kxiB-5mzoA:
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.
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
 1.32A 5kxiA-5teyA:
undetectable
5kxiB-5teyA:
undetectable		 5kxiA-5teyA:
20.87
5kxiB-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.
5usf TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Leishmania
donovani) 		PF00579
(tRNA-synt_1b) 		4 TYR A 284
CYH A 321
TYR A 298
LEU A 318
 None
 1.33A 5kxiA-5usfA:
undetectable
5kxiB-5usfA:
undetectable		 5kxiA-5usfA:
19.70
5kxiB-5usfA:
20.73
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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 4 TYR A  77
CYH A  46
TRP A  85
LEU A  42
 None
 1.42A 5kxiA-5vydA:
2.2
5kxiB-5vydA:
2.2		 5kxiA-5vydA:
21.39
5kxiB-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 5kxiA-5xcyA:
undetectable
5kxiB-5xcyA:
undetectable		 5kxiA-5xcyA:
21.56
5kxiB-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.
5xfr METAL-RESPONSE
ELEMENT-BINDING
TRANSCRIPTION FACTOR
2

(Homo sapiens) 		PF00628
(PHD) 		4 TYR A 184
CYH A 252
CYH A 249
TYR A 205
 None
ZN  A 403 (-2.4A)
ZN  A 403 (-2.3A)
None
 1.39A 5kxiA-5xfrA:
undetectable
5kxiB-5xfrA:
undetectable		 5kxiA-5xfrA:
21.25
5kxiB-5xfrA:
18.87
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.
5y7f UGGT

(Thermomyces
dupontii) 		PF01501
(Glyco_transf_8) 		4 TYR A1274
TRP A1257
TYR A1255
LEU A1261
 None
 1.31A 5kxiA-5y7fA:
undetectable
5kxiB-5y7fA:
undetectable		 5kxiA-5y7fA:
20.74
5kxiB-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
 1.15A 5kxiA-5z06A:
2.4
5kxiB-5z06A:
2.2		 5kxiA-5z06A:
14.04
5kxiB-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
 1.25A 5kxiA-5z06A:
2.4
5kxiB-5z06A:
2.2		 5kxiA-5z06A:
14.04
5kxiB-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
 1.46A 5kxiA-6brsA:
undetectable
5kxiB-6brsA:
undetectable		 5kxiA-6brsA:
10.96
5kxiB-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
 1.37A 5kxiA-6cnkG:
undetectable
5kxiB-6cnkG:
undetectable		 5kxiA-6cnkG:
11.58
5kxiB-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.
6cqb CHALCONE SYNTHASE

(Piper
methysticum) 		no annotation 4 TYR A  37
THR A 195
CYH A  85
LEU A  73
 None
 1.48A 5kxiA-6cqbA:
undetectable
5kxiB-6cqbA:
undetectable		 5kxiA-6cqbA:
11.66
5kxiB-6cqbA:
10.90
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.
6cu5 PROTEIN ARGININE
N-METHYLTRANSFERASE

(Naegleria
fowleri) 		no annotation 4 CYH A 249
CYH A 154
TRP A 272
LEU A 126
 None
 1.22A 5kxiA-6cu5A:
undetectable
5kxiB-6cu5A:
undetectable		 5kxiA-6cu5A:
10.36
5kxiB-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
 1.39A 5kxiA-6d6qK:
undetectable
5kxiB-6d6qK:
undetectable		 5kxiA-6d6qK:
11.17
5kxiB-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
 1.46A 5kxiA-6esdB:
undetectable
5kxiB-6esdB:
undetectable		 5kxiA-6esdB:
10.41
5kxiB-6esdB:
10.50