SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_F_TFPF202_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.
1czk FLAVODOXIN

(Synechococcus
elongatus) 		PF00258
(Flavodoxin_1) 		5 ASP A 144
LEU A 141
PHE A  86
ILE A  17
SER A 130
 None
 1.17A 3ko0E-1czkA:
undetectable
3ko0F-1czkA:
undetectable
3ko0G-1czkA:
undetectable
3ko0H-1czkA:
undetectable		 3ko0E-1czkA:
21.02
3ko0F-1czkA:
21.02
3ko0G-1czkA:
21.02
3ko0H-1czkA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ij5 PLASMODIAL SPECIFIC
LAV1-2 PROTEIN

(Physarum
polycephalum) 		PF13202
(EF-hand_5) 		5 GLU A 343
LEU A 339
SER A 340
PHE A 344
ASP A 252
 None
 0.98A 3ko0E-1ij5A:
6.9
3ko0F-1ij5A:
7.4
3ko0G-1ij5A:
6.8
3ko0H-1ij5A:
7.2		 3ko0E-1ij5A:
17.12
3ko0F-1ij5A:
17.12
3ko0G-1ij5A:
17.12
3ko0H-1ij5A:
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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ASP B 731
LEU B 499
SER B 446
PHE B 500
SER B 315
 None
 1.48A 3ko0E-1m2vB:
0.0
3ko0F-1m2vB:
undetectable
3ko0G-1m2vB:
0.0
3ko0H-1m2vB:
undetectable		 3ko0E-1m2vB:
7.34
3ko0F-1m2vB:
7.34
3ko0G-1m2vB:
7.34
3ko0H-1m2vB:
7.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 ASP A 186
LEU A 168
PHE A 171
ILE A 180
SER A 215
 None
 1.46A 3ko0E-1mu2A:
0.0
3ko0F-1mu2A:
undetectable
3ko0G-1mu2A:
0.0
3ko0H-1mu2A:
undetectable		 3ko0E-1mu2A:
11.80
3ko0F-1mu2A:
11.80
3ko0G-1mu2A:
11.80
3ko0H-1mu2A:
11.80
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.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		5 ASP A 439
LEU A 436
SER A 486
ILE A 423
ASP A 482
 None
 1.17A 3ko0E-1pz3A:
undetectable
3ko0F-1pz3A:
undetectable
3ko0G-1pz3A:
undetectable
3ko0H-1pz3A:
undetectable		 3ko0E-1pz3A:
12.17
3ko0F-1pz3A:
12.17
3ko0G-1pz3A:
12.17
3ko0H-1pz3A:
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		5 ASP 1  49
LEU 3 165
SER 3 116
PHE 3 115
CYH 3 216
 None
 1.29A 3ko0E-1r1a1:
undetectable
3ko0F-1r1a1:
undetectable
3ko0G-1r1a1:
undetectable
3ko0H-1r1a1:
undetectable		 3ko0E-1r1a1:
15.95
3ko0F-1r1a1:
15.95
3ko0G-1r1a1:
15.95
3ko0H-1r1a1:
15.95
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLU A 580
LEU A 576
SER A 577
PHE A 566
PHE A 468
 None
 1.19A 3ko0E-1sb3A:
undetectable
3ko0F-1sb3A:
undetectable
3ko0G-1sb3A:
undetectable
3ko0H-1sb3A:
undetectable		 3ko0E-1sb3A:
7.84
3ko0F-1sb3A:
7.84
3ko0G-1sb3A:
7.84
3ko0H-1sb3A:
7.84
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 GLU A 117
ASP A 116
SER A 161
ILE A 119
PHE A 198
 None
 1.41A 3ko0E-1u08A:
0.0
3ko0F-1u08A:
undetectable
3ko0G-1u08A:
undetectable
3ko0H-1u08A:
undetectable		 3ko0E-1u08A:
13.17
3ko0F-1u08A:
13.17
3ko0G-1u08A:
13.17
3ko0H-1u08A:
13.17
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.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		5 GLU A 362
LEU A 354
PHE A 363
PHE A 359
SER A 265
 None
 1.42A 3ko0E-1uwiA:
undetectable
3ko0F-1uwiA:
undetectable
3ko0G-1uwiA:
undetectable
3ko0H-1uwiA:
undetectable		 3ko0E-1uwiA:
11.96
3ko0F-1uwiA:
11.96
3ko0G-1uwiA:
11.96
3ko0H-1uwiA:
11.96
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.
1v38 SAM-DOMAIN PROTEIN
SAMSN-1

(Mus musculus) 		PF07647
(SAM_2) 		5 GLU A  37
ASP A  40
LEU A  32
ILE A  15
SER A   6
 None
 1.47A 3ko0E-1v38A:
undetectable
3ko0F-1v38A:
undetectable
3ko0G-1v38A:
undetectable
3ko0H-1v38A:
undetectable		 3ko0E-1v38A:
20.37
3ko0F-1v38A:
20.37
3ko0G-1v38A:
20.37
3ko0H-1v38A:
20.37
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.
1xmj CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF14396
(CFTR_R) 		5 LEU A 548
SER A 549
ILE A 556
PHE A 575
ASP A 579
 None
 1.40A 3ko0E-1xmjA:
undetectable
3ko0F-1xmjA:
undetectable
3ko0G-1xmjA:
undetectable
3ko0H-1xmjA:
undetectable		 3ko0E-1xmjA:
17.19
3ko0F-1xmjA:
17.19
3ko0G-1xmjA:
17.19
3ko0H-1xmjA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybi NON-TOXIN
HAEMAGGLUTININ HA34

(Clostridium
botulinum) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 ASP A 121
LEU A 129
ILE A  82
PHE A 140
SER A 135
 None
 1.32A 3ko0E-1ybiA:
undetectable
3ko0F-1ybiA:
undetectable
3ko0G-1ybiA:
undetectable
3ko0H-1ybiA:
undetectable		 3ko0E-1ybiA:
14.58
3ko0F-1ybiA:
14.58
3ko0G-1ybiA:
14.58
3ko0H-1ybiA:
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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLU A 181
LEU A 177
SER A 178
PHE A 182
ILE A 185
 None
 1.11A 3ko0E-1ykwA:
undetectable
3ko0F-1ykwA:
undetectable
3ko0G-1ykwA:
undetectable
3ko0H-1ykwA:
undetectable		 3ko0E-1ykwA:
12.47
3ko0F-1ykwA:
12.47
3ko0G-1ykwA:
12.47
3ko0H-1ykwA:
12.47
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 GLU A 203
ASP A  64
ILE A 195
PHE A 186
ASP A  86
 None
 1.40A 3ko0E-1ytmA:
undetectable
3ko0F-1ytmA:
undetectable
3ko0G-1ytmA:
undetectable
3ko0H-1ytmA:
undetectable		 3ko0E-1ytmA:
11.22
3ko0F-1ytmA:
11.22
3ko0G-1ytmA:
11.22
3ko0H-1ytmA:
11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 ASP A  13
LEU A  25
SER A  24
ILE A  36
CYH A  10
 None
 1.15A 3ko0E-1zzmA:
0.0
3ko0F-1zzmA:
undetectable
3ko0G-1zzmA:
0.0
3ko0H-1zzmA:
undetectable		 3ko0E-1zzmA:
14.89
3ko0F-1zzmA:
14.89
3ko0G-1zzmA:
14.89
3ko0H-1zzmA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ASP A 705
LEU A 538
ILE A 580
ASP A 713
SER A 717
 None
 1.46A 3ko0E-2c4mA:
0.0
3ko0F-2c4mA:
undetectable
3ko0G-2c4mA:
0.0
3ko0H-2c4mA:
undetectable		 3ko0E-2c4mA:
7.79
3ko0F-2c4mA:
7.79
3ko0G-2c4mA:
7.79
3ko0H-2c4mA:
7.79
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.
2dg2 APOLIPOPROTEIN A-I
BINDING PROTEIN

(Mus musculus) 		PF03853
(YjeF_N) 		5 LEU A 207
SER A 186
ILE A  65
CYH A  97
SER A 191
 None
 1.37A 3ko0E-2dg2A:
undetectable
3ko0F-2dg2A:
undetectable
3ko0G-2dg2A:
undetectable
3ko0H-2dg2A:
undetectable		 3ko0E-2dg2A:
15.35
3ko0F-2dg2A:
15.35
3ko0G-2dg2A:
15.35
3ko0H-2dg2A:
15.35
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		5 LEU A 186
SER A 185
ILE A   3
PHE A  38
SER A 162
 None
 1.44A 3ko0E-2nuxA:
undetectable
3ko0F-2nuxA:
undetectable
3ko0G-2nuxA:
undetectable
3ko0H-2nuxA:
undetectable		 3ko0E-2nuxA:
16.38
3ko0F-2nuxA:
16.38
3ko0G-2nuxA:
16.38
3ko0H-2nuxA:
16.38
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.
2o0r RV0858C
(N-SUCCINYLDIAMINOPI
MELATE
AMINOTRANSFERASE)

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 GLU A 180
ASP A 148
LEU A 176
SER A 177
ILE A 184
 None
None
None
CL  A 601 ( 4.1A)
None
 1.24A 3ko0E-2o0rA:
0.0
3ko0F-2o0rA:
undetectable
3ko0G-2o0rA:
0.0
3ko0H-2o0rA:
undetectable		 3ko0E-2o0rA:
13.37
3ko0F-2o0rA:
13.37
3ko0G-2o0rA:
13.37
3ko0H-2o0rA:
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 GLU A 180
ASP A 178
LEU A 154
ILE A 184
PHE A 223
 None
 1.48A 3ko0E-2qhpA:
undetectable
3ko0F-2qhpA:
undetectable
3ko0G-2qhpA:
undetectable
3ko0H-2qhpA:
undetectable		 3ko0E-2qhpA:
16.61
3ko0F-2qhpA:
16.61
3ko0G-2qhpA:
16.61
3ko0H-2qhpA:
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.
2qoj INTRON-ENCODED DNA
ENDONUCLEASE I-ANII

(Aspergillus
nidulans) 		PF00961
(LAGLIDADG_1) 		5 LEU Z 216
PHE Z 215
ILE Z 145
PHE Z 187
SER Z 205
 None
 1.34A 3ko0E-2qojZ:
undetectable
3ko0F-2qojZ:
undetectable
3ko0G-2qojZ:
undetectable
3ko0H-2qojZ:
undetectable		 3ko0E-2qojZ:
17.93
3ko0F-2qojZ:
17.93
3ko0G-2qojZ:
17.93
3ko0H-2qojZ:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1

(Gallus gallus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		5 GLU A 153
LEU A 149
SER A 150
PHE A 154
ILE A 141
 CA  A 502 (-2.3A)
None
None
None
None
 1.35A 3ko0E-2r2iA:
6.8
3ko0F-2r2iA:
6.7
3ko0G-2r2iA:
6.4
3ko0H-2r2iA:
6.5		 3ko0E-2r2iA:
16.32
3ko0F-2r2iA:
16.32
3ko0G-2r2iA:
16.32
3ko0H-2r2iA:
16.32
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 ASP A 748
LEU A 738
ILE A 769
PHE A 705
PHE A 751
 None
 1.14A 3ko0E-2v26A:
0.1
3ko0F-2v26A:
0.1
3ko0G-2v26A:
0.9
3ko0H-2v26A:
undetectable		 3ko0E-2v26A:
9.24
3ko0F-2v26A:
9.24
3ko0G-2v26A:
9.24
3ko0H-2v26A:
9.24
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.
2xwb COMPLEMENT C3B
ALPHA' CHAIN

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 GLU B1411
ASP B1413
LEU B1422
ILE B1407
SER B 871
 None
 1.34A 3ko0E-2xwbB:
undetectable
3ko0F-2xwbB:
undetectable
3ko0G-2xwbB:
0.0
3ko0H-2xwbB:
undetectable		 3ko0E-2xwbB:
8.24
3ko0F-2xwbB:
8.24
3ko0G-2xwbB:
8.24
3ko0H-2xwbB:
8.24
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.
2yyv PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Thermotoga
maritima) 		PF04029
(2-ph_phosp) 		5 LEU A 147
ILE A 182
PHE A 203
ASP A 208
SER A 118
 None
 1.47A 3ko0E-2yyvA:
undetectable
3ko0F-2yyvA:
undetectable
3ko0G-2yyvA:
undetectable
3ko0H-2yyvA:
undetectable		 3ko0E-2yyvA:
21.88
3ko0F-2yyvA:
21.88
3ko0G-2yyvA:
21.88
3ko0H-2yyvA:
21.88
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.
2zqp PREPROTEIN
TRANSLOCASE SECY
SUBUNIT

(Thermus
thermophilus) 		PF00344
(SecY) 		5 LEU Y  61
SER Y  63
PHE Y  62
ILE Y 192
SER Y  71
 None
 1.38A 3ko0E-2zqpY:
undetectable
3ko0F-2zqpY:
undetectable
3ko0G-2zqpY:
undetectable
3ko0H-2zqpY:
undetectable		 3ko0E-2zqpY:
11.03
3ko0F-2zqpY:
11.03
3ko0G-2zqpY:
11.03
3ko0H-2zqpY:
11.03
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLU A  70
LEU A  24
ILE A  20
ASP A  76
SER A 229
 None
 1.46A 3ko0E-2zxhA:
undetectable
3ko0F-2zxhA:
undetectable
3ko0G-2zxhA:
undetectable
3ko0H-2zxhA:
undetectable		 3ko0E-2zxhA:
9.74
3ko0F-2zxhA:
9.74
3ko0G-2zxhA:
9.74
3ko0H-2zxhA:
9.74
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 PHE X 100
ILE X  88
PHE X 259
ASP X  18
SER X  11
 None
 1.26A 3ko0E-3e13X:
undetectable
3ko0F-3e13X:
undetectable
3ko0G-3e13X:
undetectable
3ko0H-3e13X:
undetectable		 3ko0E-3e13X:
16.67
3ko0F-3e13X:
16.67
3ko0G-3e13X:
16.67
3ko0H-3e13X:
16.67
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 SER X 239
ILE X 278
PHE X 259
ASP X  18
SER X  11
 None
 1.24A 3ko0E-3e13X:
undetectable
3ko0F-3e13X:
undetectable
3ko0G-3e13X:
undetectable
3ko0H-3e13X:
undetectable		 3ko0E-3e13X:
16.67
3ko0F-3e13X:
16.67
3ko0G-3e13X:
16.67
3ko0H-3e13X:
16.67
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.13A 3ko0E-3eafA:
undetectable
3ko0F-3eafA:
undetectable
3ko0G-3eafA:
undetectable
3ko0H-3eafA:
undetectable		 3ko0E-3eafA:
12.92
3ko0F-3eafA:
12.92
3ko0G-3eafA:
12.92
3ko0H-3eafA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kby PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10804
(DUF2538) 		5 GLU A 103
ASP A 106
SER A 113
PHE A 110
ILE A 109
 None
 1.01A 3ko0E-3kbyA:
undetectable
3ko0F-3kbyA:
undetectable
3ko0G-3kbyA:
undetectable
3ko0H-3kbyA:
undetectable		 3ko0E-3kbyA:
21.13
3ko0F-3kbyA:
21.13
3ko0G-3kbyA:
21.13
3ko0H-3kbyA:
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 ASP A 229
LEU A 289
SER A 285
PHE A 288
ILE A 251
 FE  A 334 (-3.1A)
None
None
None
None
 1.25A 3ko0E-3ktcA:
undetectable
3ko0F-3ktcA:
undetectable
3ko0G-3ktcA:
undetectable
3ko0H-3ktcA:
undetectable		 3ko0E-3ktcA:
16.22
3ko0F-3ktcA:
16.22
3ko0G-3ktcA:
16.22
3ko0H-3ktcA:
16.22
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.
3lb6 INTERLEUKIN-13

(Homo sapiens) 		PF03487
(IL13) 		5 GLU A  49
LEU A  83
SER A  82
ILE A  37
PHE A  70
 None
 1.36A 3ko0E-3lb6A:
undetectable
3ko0F-3lb6A:
undetectable
3ko0G-3lb6A:
undetectable
3ko0H-3lb6A:
undetectable		 3ko0E-3lb6A:
21.58
3ko0F-3lb6A:
21.58
3ko0G-3lb6A:
21.58
3ko0H-3lb6A:
21.58
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 GLU A 248
LEU A 245
SER A 244
ILE A 249
ASP A  99
 MG  A 702 ( 2.6A)
None
MG  A 702 ( 2.3A)
None
MG  A 701 (-2.5A)
 1.40A 3ko0E-3lg5A:
undetectable
3ko0F-3lg5A:
undetectable
3ko0G-3lg5A:
undetectable
3ko0H-3lg5A:
undetectable		 3ko0E-3lg5A:
12.34
3ko0F-3lg5A:
12.34
3ko0G-3lg5A:
12.34
3ko0H-3lg5A:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oqv ALBC

(Streptomyces
noursei) 		PF16715
(CDPS) 		5 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.26A 3ko0E-3oqvA:
undetectable
3ko0F-3oqvA:
undetectable
3ko0G-3oqvA:
undetectable
3ko0H-3oqvA:
undetectable		 3ko0E-3oqvA:
15.73
3ko0F-3oqvA:
15.73
3ko0G-3oqvA:
15.73
3ko0H-3oqvA:
15.73
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.
3ozi L6TR

(Linum
usitatissimum) 		PF01582
(TIR) 		5 PHE A 130
ILE A 129
PHE A  39
ASP A  71
SER A 104
 None
 1.28A 3ko0E-3oziA:
undetectable
3ko0F-3oziA:
undetectable
3ko0G-3oziA:
undetectable
3ko0H-3oziA:
undetectable		 3ko0E-3oziA:
17.82
3ko0F-3oziA:
17.82
3ko0G-3oziA:
17.82
3ko0H-3oziA:
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 ASP A 344
LEU A 332
PHE A 331
ILE A 314
PHE A 293
 None
 1.31A 3ko0E-3rreA:
undetectable
3ko0F-3rreA:
undetectable
3ko0G-3rreA:
undetectable
3ko0H-3rreA:
undetectable		 3ko0E-3rreA:
11.38
3ko0F-3rreA:
11.38
3ko0G-3rreA:
11.38
3ko0H-3rreA:
11.38
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 LEU A 242
SER A 188
ILE A 236
PHE A 291
SER A 260
 None
 1.42A 3ko0E-3upyA:
undetectable
3ko0F-3upyA:
undetectable
3ko0G-3upyA:
undetectable
3ko0H-3upyA:
undetectable		 3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
3ko0G-3upyA:
12.68
3ko0H-3upyA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.39A 3ko0E-3upyA:
undetectable
3ko0F-3upyA:
undetectable
3ko0G-3upyA:
undetectable
3ko0H-3upyA:
undetectable		 3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
3ko0G-3upyA:
12.68
3ko0H-3upyA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 GLU A 346
ASP A 427
LEU A 365
ILE A 452
PHE A 459
 None
 1.46A 3ko0E-3wiqA:
undetectable
3ko0F-3wiqA:
undetectable
3ko0G-3wiqA:
undetectable
3ko0H-3wiqA:
undetectable		 3ko0E-3wiqA:
9.49
3ko0F-3wiqA:
9.49
3ko0G-3wiqA:
9.49
3ko0H-3wiqA:
9.49
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 GLU A 346
ASP A 427
LEU A 365
PHE A 459
SER A 393
 None
 1.39A 3ko0E-3wiqA:
undetectable
3ko0F-3wiqA:
undetectable
3ko0G-3wiqA:
undetectable
3ko0H-3wiqA:
undetectable		 3ko0E-3wiqA:
9.49
3ko0F-3wiqA:
9.49
3ko0G-3wiqA:
9.49
3ko0H-3wiqA:
9.49
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		5 ASP A 748
LEU A 738
ILE A 769
PHE A 705
PHE A 751
 None
 1.22A 3ko0E-4anjA:
undetectable
3ko0F-4anjA:
undetectable
3ko0G-4anjA:
undetectable
3ko0H-4anjA:
undetectable		 3ko0E-4anjA:
6.93
3ko0F-4anjA:
6.93
3ko0G-4anjA:
6.93
3ko0H-4anjA:
6.93
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 LEU A  99
SER A  62
ILE A  73
ASP A 363
SER A 361
 None
 1.38A 3ko0E-4ay1A:
undetectable
3ko0F-4ay1A:
undetectable
3ko0G-4ay1A:
undetectable
3ko0H-4ay1A:
undetectable		 3ko0E-4ay1A:
13.70
3ko0F-4ay1A:
13.70
3ko0G-4ay1A:
13.70
3ko0H-4ay1A:
13.70
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ASP A 318
LEU A 332
PHE A 327
ILE A 325
ASP A 351
 None
 1.18A 3ko0E-4bhdA:
undetectable
3ko0F-4bhdA:
undetectable
3ko0G-4bhdA:
undetectable
3ko0H-4bhdA:
undetectable		 3ko0E-4bhdA:
12.38
3ko0F-4bhdA:
12.38
3ko0G-4bhdA:
12.38
3ko0H-4bhdA:
12.38
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.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 ASP A 179
LEU A  19
ILE A 210
ASP A 173
SER A  79
 None
 1.39A 3ko0E-4bqnA:
undetectable
3ko0F-4bqnA:
undetectable
3ko0G-4bqnA:
undetectable
3ko0H-4bqnA:
undetectable		 3ko0E-4bqnA:
17.38
3ko0F-4bqnA:
17.38
3ko0G-4bqnA:
17.38
3ko0H-4bqnA:
17.38
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 LEU A 257
ILE A 313
PHE A 332
ASP A  89
SER A  92
 None
 1.49A 3ko0E-4c2fA:
2.8
3ko0F-4c2fA:
2.8
3ko0G-4c2fA:
2.8
3ko0H-4c2fA:
2.8		 3ko0E-4c2fA:
12.44
3ko0F-4c2fA:
12.44
3ko0G-4c2fA:
12.44
3ko0H-4c2fA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 GLU A 221
LEU A 217
SER A 218
PHE A 222
ILE A 225
 None
 1.03A 3ko0E-4chlA:
undetectable
3ko0F-4chlA:
undetectable
3ko0G-4chlA:
undetectable
3ko0H-4chlA:
undetectable		 3ko0E-4chlA:
16.32
3ko0F-4chlA:
16.32
3ko0G-4chlA:
16.32
3ko0H-4chlA:
16.32
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.
4dth VGRG PROTEIN

(Vibrio cholerae) 		PF16671
(ACD) 		5 ASP A  87
LEU A 347
SER A 349
ILE A  13
CYH A  84
 None
 1.39A 3ko0E-4dthA:
undetectable
3ko0F-4dthA:
undetectable
3ko0G-4dthA:
undetectable
3ko0H-4dthA:
undetectable		 3ko0E-4dthA:
13.44
3ko0F-4dthA:
13.44
3ko0G-4dthA:
13.44
3ko0H-4dthA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 ASP A 676
LEU A 727
SER A 729
PHE A 426
ASP A 421
 None
 1.26A 3ko0E-4ecoA:
undetectable
3ko0F-4ecoA:
undetectable
3ko0G-4ecoA:
undetectable
3ko0H-4ecoA:
undetectable		 3ko0E-4ecoA:
11.07
3ko0F-4ecoA:
11.07
3ko0G-4ecoA:
11.07
3ko0H-4ecoA:
11.07
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 GLU A 214
LEU A 228
SER A 231
ILE A 288
PHE A 252
 None
 1.30A 3ko0E-4fidA:
undetectable
3ko0F-4fidA:
undetectable
3ko0G-4fidA:
undetectable
3ko0H-4fidA:
undetectable		 3ko0E-4fidA:
15.16
3ko0F-4fidA:
15.16
3ko0G-4fidA:
15.16
3ko0H-4fidA:
15.16
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 GLU A 214
LEU A 228
SER A 231
PHE A 252
PHE A 208
 None
 1.23A 3ko0E-4fidA:
undetectable
3ko0F-4fidA:
undetectable
3ko0G-4fidA:
undetectable
3ko0H-4fidA:
undetectable		 3ko0E-4fidA:
15.16
3ko0F-4fidA:
15.16
3ko0G-4fidA:
15.16
3ko0H-4fidA:
15.16
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.
4gtv GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT ALPHA

(Rattus
norvegicus) 		PF01239
(PPTA) 		5 GLU A 140
ASP A 139
LEU A 170
CYH A 145
PHE A 143
 None
 1.36A 3ko0E-4gtvA:
undetectable
3ko0F-4gtvA:
undetectable
3ko0G-4gtvA:
undetectable
3ko0H-4gtvA:
undetectable		 3ko0E-4gtvA:
14.42
3ko0F-4gtvA:
14.42
3ko0G-4gtvA:
14.42
3ko0H-4gtvA:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 596
ILE A 509
CYH A 512
PHE A 515
ASP A 495
 None
None
None
None
1B2  A 802 (-3.6A)
 1.26A 3ko0E-4hwtA:
1.1
3ko0F-4hwtA:
0.9
3ko0G-4hwtA:
0.8
3ko0H-4hwtA:
1.0		 3ko0E-4hwtA:
14.49
3ko0F-4hwtA:
14.49
3ko0G-4hwtA:
14.49
3ko0H-4hwtA:
14.49
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.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		5 GLU A  68
ASP A  67
LEU A 109
SER A 110
ILE A  72
 None
 1.46A 3ko0E-4ihqA:
undetectable
3ko0F-4ihqA:
undetectable
3ko0G-4ihqA:
undetectable
3ko0H-4ihqA:
undetectable		 3ko0E-4ihqA:
11.98
3ko0F-4ihqA:
11.98
3ko0G-4ihqA:
11.98
3ko0H-4ihqA:
11.98
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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 ASP A 270
LEU A  44
SER A  46
ILE A   8
ASP A 291
 None
 1.40A 3ko0E-4k37A:
undetectable
3ko0F-4k37A:
undetectable
3ko0G-4k37A:
undetectable
3ko0H-4k37A:
undetectable		 3ko0E-4k37A:
15.14
3ko0F-4k37A:
15.14
3ko0G-4k37A:
15.14
3ko0H-4k37A:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 ASP A 277
LEU A   6
SER A   5
PHE A  61
ILE A   8
 None
 1.46A 3ko0E-4k37A:
undetectable
3ko0F-4k37A:
undetectable
3ko0G-4k37A:
undetectable
3ko0H-4k37A:
undetectable		 3ko0E-4k37A:
15.14
3ko0F-4k37A:
15.14
3ko0G-4k37A:
15.14
3ko0H-4k37A:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 GLU A 336
ASP A 419
LEU A 355
PHE A 451
SER A 383
 None
 1.43A 3ko0E-4ktpA:
undetectable
3ko0F-4ktpA:
undetectable
3ko0G-4ktpA:
undetectable
3ko0H-4ktpA:
undetectable		 3ko0E-4ktpA:
7.74
3ko0F-4ktpA:
7.74
3ko0G-4ktpA:
7.74
3ko0H-4ktpA:
7.74
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.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLU A 295
LEU A 291
PHE A 299
ILE A 175
ASP A 212
 None
 1.37A 3ko0E-4ln1A:
undetectable
3ko0F-4ln1A:
undetectable
3ko0G-4ln1A:
undetectable
3ko0H-4ln1A:
undetectable		 3ko0E-4ln1A:
17.23
3ko0F-4ln1A:
17.23
3ko0G-4ln1A:
17.23
3ko0H-4ln1A:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		5 GLU A 362
SER A 308
ILE A 363
ASP A 296
SER A 300
 None
 1.26A 3ko0E-4mndA:
undetectable
3ko0F-4mndA:
undetectable
3ko0G-4mndA:
1.0
3ko0H-4mndA:
undetectable		 3ko0E-4mndA:
12.84
3ko0F-4mndA:
12.84
3ko0G-4mndA:
12.84
3ko0H-4mndA:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		5 LEU A 227
SER A 226
PHE A 238
ILE A 273
SER A 189
 None
 1.31A 3ko0E-4ojzA:
undetectable
3ko0F-4ojzA:
undetectable
3ko0G-4ojzA:
undetectable
3ko0H-4ojzA:
undetectable		 3ko0E-4ojzA:
8.97
3ko0F-4ojzA:
8.97
3ko0G-4ojzA:
8.97
3ko0H-4ojzA:
8.97
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.
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 GLU A 132
LEU A  70
SER A  67
ILE A 292
PHE A  65
 UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 408 ( 4.8A)
 1.27A 3ko0E-4pwyA:
undetectable
3ko0F-4pwyA:
undetectable
3ko0G-4pwyA:
undetectable
3ko0H-4pwyA:
undetectable		 3ko0E-4pwyA:
18.85
3ko0F-4pwyA:
18.85
3ko0G-4pwyA:
18.85
3ko0H-4pwyA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 GLU A2530
LEU A2506
ILE A2526
PHE A2572
ASP A2537
 None
 1.38A 3ko0E-4rh7A:
undetectable
3ko0F-4rh7A:
undetectable
3ko0G-4rh7A:
undetectable
3ko0H-4rh7A:
undetectable		 3ko0E-4rh7A:
2.91
3ko0F-4rh7A:
2.91
3ko0G-4rh7A:
2.91
3ko0H-4rh7A:
2.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 SER A 368
ILE A 413
PHE A 420
ASP A 346
SER A 363
 None
 1.25A 3ko0E-4u3tA:
undetectable
3ko0F-4u3tA:
undetectable
3ko0G-4u3tA:
undetectable
3ko0H-4u3tA:
undetectable		 3ko0E-4u3tA:
15.76
3ko0F-4u3tA:
15.76
3ko0G-4u3tA:
15.76
3ko0H-4u3tA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 GLU A 261
ASP A 473
LEU A 262
SER A 258
ASP A 467
 None
 1.39A 3ko0E-4upiA:
undetectable
3ko0F-4upiA:
undetectable
3ko0G-4upiA:
undetectable
3ko0H-4upiA:
undetectable		 3ko0E-4upiA:
10.66
3ko0F-4upiA:
10.66
3ko0G-4upiA:
10.66
3ko0H-4upiA:
10.66
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 GLU A 356
ASP A 281
PHE A 355
ILE A 360
ASP A 169
 None
None
EDO  A 403 ( 4.8A)
None
None
 1.32A 3ko0E-4wzzA:
undetectable
3ko0F-4wzzA:
undetectable
3ko0G-4wzzA:
undetectable
3ko0H-4wzzA:
undetectable		 3ko0E-4wzzA:
13.01
3ko0F-4wzzA:
13.01
3ko0G-4wzzA:
13.01
3ko0H-4wzzA:
13.01
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 GLU A 724
LEU A 735
ILE A  21
PHE A 115
ASP A 593
 None
 1.24A 3ko0E-5ah5A:
undetectable
3ko0F-5ah5A:
undetectable
3ko0G-5ah5A:
undetectable
3ko0H-5ah5A:
undetectable		 3ko0E-5ah5A:
7.86
3ko0F-5ah5A:
7.86
3ko0G-5ah5A:
7.86
3ko0H-5ah5A:
7.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 GLU A  23
LEU A  26
ILE A  61
ASP A 417
SER A 403
 None
 1.35A 3ko0E-5cykA:
undetectable
3ko0F-5cykA:
undetectable
3ko0G-5cykA:
undetectable
3ko0H-5cykA:
undetectable		 3ko0E-5cykA:
10.91
3ko0F-5cykA:
10.91
3ko0G-5cykA:
10.91
3ko0H-5cykA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 GLU A 953
ASP A 952
LEU A1021
ILE A 957
PHE A 947
 None
 1.37A 3ko0E-5ehkA:
undetectable
3ko0F-5ehkA:
0.3
3ko0G-5ehkA:
undetectable
3ko0H-5ehkA:
undetectable		 3ko0E-5ehkA:
6.15
3ko0F-5ehkA:
6.15
3ko0G-5ehkA:
6.15
3ko0H-5ehkA:
6.15
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.
5hyh UNCHARACTERIZED
PROTEIN

(Streptomyces
venezuelae) 		PF11583
(AurF) 		5 LEU A  94
SER A  95
PHE A  69
ILE A  74
SER A 164
 None
 1.08A 3ko0E-5hyhA:
undetectable
3ko0F-5hyhA:
undetectable
3ko0G-5hyhA:
undetectable
3ko0H-5hyhA:
undetectable		 3ko0E-5hyhA:
14.19
3ko0F-5hyhA:
14.19
3ko0G-5hyhA:
14.19
3ko0H-5hyhA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 5 ASP B 376
LEU B 361
SER B 386
CYH B 381
ASP B 397
 None
 1.21A 3ko0E-5hzgB:
undetectable
3ko0F-5hzgB:
undetectable
3ko0G-5hzgB:
undetectable
3ko0H-5hzgB:
undetectable		 3ko0E-5hzgB:
8.73
3ko0F-5hzgB:
8.73
3ko0G-5hzgB:
8.73
3ko0H-5hzgB:
8.73
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 GLU A 325
SER A 263
ILE A 328
ASP A 289
SER A 291
 None
 1.48A 3ko0E-5iojA:
undetectable
3ko0F-5iojA:
undetectable
3ko0G-5iojA:
undetectable
3ko0H-5iojA:
undetectable		 3ko0E-5iojA:
10.29
3ko0F-5iojA:
10.29
3ko0G-5iojA:
10.29
3ko0H-5iojA:
10.29
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.
5iud DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLU A 350
ASP A 351
LEU A 484
SER A 483
PHE A 487
 None
 1.04A 3ko0E-5iudA:
undetectable
3ko0F-5iudA:
undetectable
3ko0G-5iudA:
undetectable
3ko0H-5iudA:
undetectable		 3ko0E-5iudA:
7.87
3ko0F-5iudA:
7.87
3ko0G-5iudA:
7.87
3ko0H-5iudA:
7.87
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		5 GLU A  94
SER A  90
ILE A  97
CYH A 108
PHE A 112
 None
 1.26A 3ko0E-5k04A:
undetectable
3ko0F-5k04A:
undetectable
3ko0G-5k04A:
1.6
3ko0H-5k04A:
undetectable		 3ko0E-5k04A:
9.64
3ko0F-5k04A:
9.64
3ko0G-5k04A:
9.64
3ko0H-5k04A:
9.64
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 368
ILE A 413
PHE A 420
ASP A 346
SER A 363
 None
 1.26A 3ko0E-5kshA:
undetectable
3ko0F-5kshA:
undetectable
3ko0G-5kshA:
undetectable
3ko0H-5kshA:
undetectable		 3ko0E-5kshA:
10.70
3ko0F-5kshA:
10.70
3ko0G-5kshA:
10.70
3ko0H-5kshA:
10.70
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 GLU A 309
LEU A  65
ILE A  94
ASP A 799
SER A 766
 None
CZA  A1002 (-4.1A)
None
None
None
 1.33A 3ko0E-5mpmA:
undetectable
3ko0F-5mpmA:
undetectable
3ko0G-5mpmA:
undetectable
3ko0H-5mpmA:
undetectable		 3ko0E-5mpmA:
24.47
3ko0F-5mpmA:
24.47
3ko0G-5mpmA:
24.47
3ko0H-5mpmA:
24.47
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.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 GLU A 135
LEU A 132
SER A 172
PHE A 173
SER A 153
 None
 1.34A 3ko0E-5n6mA:
1.7
3ko0F-5n6mA:
undetectable
3ko0G-5n6mA:
1.5
3ko0H-5n6mA:
0.9		 3ko0E-5n6mA:
10.32
3ko0F-5n6mA:
10.32
3ko0G-5n6mA:
10.32
3ko0H-5n6mA:
10.32
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.
5o51 RHO GUANYL
NUCLEOTIDE EXCHANGE
FACTOR (ROM2),
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 5 LEU A1067
PHE A1054
ILE A1089
PHE A1105
SER A1074
 None
 1.22A 3ko0E-5o51A:
undetectable
3ko0F-5o51A:
undetectable
3ko0G-5o51A:
undetectable
3ko0H-5o51A:
undetectable		 3ko0E-5o51A:
12.87
3ko0F-5o51A:
12.87
3ko0G-5o51A:
12.87
3ko0H-5o51A:
12.87
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.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Gloeobacter
violaceus;
Mus musculus) 		no annotation 5 LEU A 401
ILE A 405
PHE A 288
PHE A 295
SER A 240
 None
 1.43A 3ko0E-5osbA:
1.5
3ko0F-5osbA:
1.7
3ko0G-5osbA:
1.8
3ko0H-5osbA:
1.5		 3ko0E-5osbA:
15.94
3ko0F-5osbA:
15.94
3ko0G-5osbA:
15.94
3ko0H-5osbA:
15.94
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		5 LEU A 297
SER A 295
ILE A 275
PHE A 232
ASP A 235
 None
 1.22A 3ko0E-5uinA:
undetectable
3ko0F-5uinA:
undetectable
3ko0G-5uinA:
undetectable
3ko0H-5uinA:
undetectable		 3ko0E-5uinA:
13.03
3ko0F-5uinA:
13.03
3ko0G-5uinA:
13.03
3ko0H-5uinA:
13.03
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.
5uxv SENSORY TRANSDUCTION
REGULATORY PROTEIN

(Bartonella
quintana) 		no annotation 5 LEU A 127
PHE A  99
ILE A 102
ASP A  65
SER A  89
 None
 1.06A 3ko0E-5uxvA:
undetectable
3ko0F-5uxvA:
undetectable
3ko0G-5uxvA:
undetectable
3ko0H-5uxvA:
undetectable		 3ko0E-5uxvA:
17.59
3ko0F-5uxvA:
17.59
3ko0G-5uxvA:
17.59
3ko0H-5uxvA:
17.59
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.
5v07 EXONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 ASP Z 171
LEU Z   7
ILE Z 195
PHE Z 215
SER Z 222
 MN  Z 401 (-2.7A)
None
None
None
None
 1.30A 3ko0E-5v07Z:
undetectable
3ko0F-5v07Z:
undetectable
3ko0G-5v07Z:
undetectable
3ko0H-5v07Z:
undetectable		 3ko0E-5v07Z:
14.45
3ko0F-5v07Z:
14.45
3ko0G-5v07Z:
14.45
3ko0H-5v07Z:
14.45
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.
5v6t PLEXIN-D1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		5 ASP A1440
LEU A1448
SER A1446
ILE A1877
PHE A1360
 None
 1.10A 3ko0E-5v6tA:
undetectable
3ko0F-5v6tA:
1.0
3ko0G-5v6tA:
1.0
3ko0H-5v6tA:
0.9		 3ko0E-5v6tA:
11.44
3ko0F-5v6tA:
11.44
3ko0G-5v6tA:
11.44
3ko0H-5v6tA:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 5 LEU E 722
SER E 721
PHE E 686
ILE E 699
SER E1482
 None
ATP  E2004 (-2.5A)
None
None
ATP  E2004 (-2.2A)
 1.49A 3ko0E-6c3pE:
0.9
3ko0F-6c3pE:
undetectable
3ko0G-6c3pE:
undetectable
3ko0H-6c3pE:
0.9		 3ko0E-6c3pE:
20.79
3ko0F-6c3pE:
20.79
3ko0G-6c3pE:
20.79
3ko0H-6c3pE:
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 LEU B 331
ILE B 335
PHE B 289
PHE B 296
SER B 241
 None
 1.31A 3ko0E-6d6uB:
1.1
3ko0F-6d6uB:
1.8
3ko0G-6d6uB:
1.9
3ko0H-6d6uB:
undetectable		 3ko0E-6d6uB:
20.39
3ko0F-6d6uB:
20.39
3ko0G-6d6uB:
20.39
3ko0H-6d6uB:
20.39
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.
6dub -

(-) 		no annotation 5 ASP A 122
LEU A 105
PHE A 104
ILE A 219
SER A  94
 SAH  A 301 ( 4.9A)
None
UNX  A 304 ( 4.8A)
None
None
 1.01A 3ko0E-6dubA:
undetectable
3ko0F-6dubA:
undetectable
3ko0G-6dubA:
undetectable
3ko0H-6dubA:
undetectable		 3ko0E-6dubA:
undetectable
3ko0F-6dubA:
undetectable
3ko0G-6dubA:
undetectable
3ko0H-6dubA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 5 LEU B 102
PHE B 103
ILE B 262
PHE B 254
ASP B 112
 None
 1.04A 3ko0E-6evjB:
undetectable
3ko0F-6evjB:
undetectable
3ko0G-6evjB:
undetectable
3ko0H-6evjB:
undetectable		 3ko0E-6evjB:
17.92
3ko0F-6evjB:
17.92
3ko0G-6evjB:
17.92
3ko0H-6evjB:
17.92