SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_L_CLML221

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cia CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		5 THR A  94
PHE A 103
PHE A 135
LEU A 160
VAL A 162
 None
 0.45A 3u9fJ-1ciaA:
32.2
3u9fL-1ciaA:
32.1		 3u9fJ-1ciaA:
44.95
3u9fL-1ciaA:
44.95
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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		5 PHE A  11
SER A  65
TYR A  84
VAL A   2
PHE A  44
 None
 1.38A 3u9fJ-1cnsA:
undetectable
3u9fL-1cnsA:
undetectable		 3u9fJ-1cnsA:
19.92
3u9fL-1cnsA:
19.92
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.
1dxj CLASS II CHITINASE

(Canavalia
ensiformis) 		PF00182
(Glyco_hydro_19) 		5 PHE A  12
SER A  66
TYR A  85
VAL A   3
PHE A  45
 None
 1.44A 3u9fJ-1dxjA:
undetectable
3u9fL-1dxjA:
undetectable		 3u9fJ-1dxjA:
21.13
3u9fL-1dxjA:
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.
1izc MACROPHOMATE
SYNTHASE
INTERMOLECULAR
DIELS-ALDERASE

(Macrophoma
commelinae) 		PF03328
(HpcH_HpaI) 		5 PHE A 149
THR A 173
SER A 174
TYR A 141
SER A 162
 None
 1.46A 3u9fJ-1izcA:
0.0
3u9fL-1izcA:
0.0		 3u9fJ-1izcA:
23.03
3u9fL-1izcA:
23.03
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.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		5 THR A 154
PHE A 175
LEU A 100
VAL A  96
PHE A  36
 None
 1.32A 3u9fJ-1kr1A:
undetectable
3u9fL-1kr1A:
0.0		 3u9fJ-1kr1A:
18.51
3u9fL-1kr1A:
18.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		9 THR A  93
PHE A 102
SER A 104
TYR A 133
PHE A 134
SER A 146
LEU A 158
VAL A 160
PHE A 166
 None
 0.60A 3u9fJ-1pd5A:
34.7
3u9fL-1pd5A:
34.4		 3u9fJ-1pd5A:
100.00
3u9fL-1pd5A:
100.00
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		5 CYH A 172
TYR A 264
PHE A 289
VAL A 171
PHE A 165
 None
 1.30A 3u9fJ-1wcgA:
0.0
3u9fL-1wcgA:
0.0		 3u9fJ-1wcgA:
17.74
3u9fL-1wcgA:
17.74
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 PHE A 238
HIS A 159
PHE A 324
SER A 252
LEU A 147
 None
COA  A1001 (-4.5A)
COA  A1001 (-4.6A)
COA  A1001 (-3.7A)
None
 1.43A 3u9fJ-1wl4A:
0.2
3u9fL-1wl4A:
0.3		 3u9fJ-1wl4A:
22.99
3u9fL-1wl4A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggz GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 3

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 PHE A 174
THR A  62
PHE A  63
VAL A 168
PHE A 154
 None
 1.12A 3u9fJ-2ggzA:
0.0
3u9fL-2ggzA:
0.0		 3u9fJ-2ggzA:
21.22
3u9fL-2ggzA:
21.22
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A  88
THR A 489
SER A 472
LEU A 485
VAL A  90
 None
MGD  A3001 (-3.6A)
None
None
None
 1.35A 3u9fJ-2nyaA:
0.0
3u9fL-2nyaA:
0.0		 3u9fJ-2nyaA:
13.29
3u9fL-2nyaA:
13.29
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.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 SER A 235
SER A 160
LEU A 104
VAL A 107
PHE A  73
 None
 1.42A 3u9fJ-2qvpA:
0.2
3u9fL-2qvpA:
0.3		 3u9fJ-2qvpA:
20.70
3u9fL-2qvpA:
20.70
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.
2wli POTASSIUM CHANNEL

(Magnetospirillum
magnetotacticum) 		PF01007
(IRK) 		5 SER A 205
SER A 209
LEU A 285
VAL A 274
PHE A 290
 None
 1.10A 3u9fJ-2wliA:
undetectable
3u9fL-2wliA:
undetectable		 3u9fJ-2wliA:
20.00
3u9fL-2wliA:
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.
2xd7 CORE HISTONE
MACRO-H2A.2

(Homo sapiens) 		PF01661
(Macro) 		5 PHE A 183
SER A 202
PHE A 354
LEU A 268
VAL A 273
 None
 1.28A 3u9fJ-2xd7A:
undetectable
3u9fL-2xd7A:
undetectable		 3u9fJ-2xd7A:
21.40
3u9fL-2xd7A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 CYH A 406
THR A  54
SER A 223
VAL A 303
PHE A 352
 FAD  A 600 (-1.6A)
None
None
FAD  A 600 ( 4.7A)
HRM  A 700 (-4.3A)
 1.49A 3u9fJ-2z5xA:
undetectable
3u9fL-2z5xA:
undetectable		 3u9fJ-2z5xA:
16.18
3u9fL-2z5xA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 442
PHE A 233
PHE A 107
SER A  83
VAL A 281
 None
 1.42A 3u9fJ-3a9vA:
undetectable
3u9fL-3a9vA:
undetectable		 3u9fJ-3a9vA:
16.42
3u9fL-3a9vA:
16.42
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 349
SER A 345
SER A  61
VAL A 268
PHE A 319
 None
 1.48A 3u9fJ-3be7A:
undetectable
3u9fL-3be7A:
undetectable		 3u9fJ-3be7A:
19.02
3u9fL-3be7A:
19.02
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.
3ccy PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Bordetella
parapertussis) 		PF00440
(TetR_N) 		5 PHE A  95
CYH A  74
THR A 157
PHE A 161
VAL A  77
 None
 1.29A 3u9fJ-3ccyA:
undetectable
3u9fL-3ccyA:
undetectable		 3u9fJ-3ccyA:
20.60
3u9fL-3ccyA:
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.
3ccy PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Bordetella
parapertussis) 		PF00440
(TetR_N) 		5 PHE A  95
THR A 157
PHE A 161
LEU A  78
VAL A  77
 None
 1.36A 3u9fJ-3ccyA:
undetectable
3u9fL-3ccyA:
undetectable		 3u9fJ-3ccyA:
20.60
3u9fL-3ccyA:
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.
3dxn CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 PHE A  89
THR A  61
PHE A 174
TYR A  96
SER A  63
 None
 1.38A 3u9fJ-3dxnA:
undetectable
3u9fL-3dxnA:
undetectable		 3u9fJ-3dxnA:
20.07
3u9fL-3dxnA:
20.07
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		5 PHE A 244
CYH A 350
TYR A 251
LEU A 215
PHE A 196
 VPR  A   1 ( 4.7A)
VPR  A   1 ( 4.4A)
VPR  A   1 (-4.2A)
VPR  A   1 ( 4.4A)
VPR  A   1 (-4.3A)
 1.36A 3u9fJ-3g0iA:
undetectable
3u9fL-3g0iA:
undetectable		 3u9fJ-3g0iA:
19.89
3u9fL-3g0iA:
19.89
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.
3hxw ALANYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01411
(tRNA-synt_2c) 		5 PHE A 259
THR A  88
SER A 289
LEU A 337
VAL A 340
 None
 1.47A 3u9fJ-3hxwA:
undetectable
3u9fL-3hxwA:
undetectable		 3u9fJ-3hxwA:
18.10
3u9fL-3hxwA:
18.10
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.
3mvs CADHERIN-23

(Mus musculus) 		PF00028
(Cadherin) 		5 PHE A  78
THR A  23
LEU A  17
VAL A  95
PHE A  82
 None
 1.35A 3u9fJ-3mvsA:
undetectable
3u9fL-3mvsA:
undetectable		 3u9fJ-3mvsA:
21.65
3u9fL-3mvsA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no2 UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		no annotation 5 CYH A 113
THR A 288
PHE A 186
SER A 287
SER A  59
 None
None
CIT  A   2 (-4.6A)
CIT  A   2 ( 4.6A)
None
 1.42A 3u9fJ-3no2A:
undetectable
3u9fL-3no2A:
undetectable		 3u9fJ-3no2A:
20.36
3u9fL-3no2A:
20.36
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.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 THR A 229
PHE A 224
SER A 231
LEU A  68
VAL A  71
 None
 1.42A 3u9fJ-3qghA:
2.1
3u9fL-3qghA:
undetectable		 3u9fJ-3qghA:
16.58
3u9fL-3qghA:
16.58
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.
3vvj OVALBUMIN

(Dromaius
novaehollandiae) 		PF00079
(Serpin) 		5 THR A 344
SER A 345
PHE A 161
SER A  31
VAL A 297
 None
 1.47A 3u9fJ-3vvjA:
undetectable
3u9fL-3vvjA:
undetectable		 3u9fJ-3vvjA:
17.09
3u9fL-3vvjA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 PHE A  50
SER A  37
TYR A  48
PHE A  41
PHE A 135
 None
None
None
None
GOL  A 301 ( 4.9A)
 1.33A 3u9fJ-3zphA:
undetectable
3u9fL-3zphA:
undetectable		 3u9fJ-3zphA:
22.18
3u9fL-3zphA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 PHE A 131
THR A 221
SER A 220
PHE A 203
SER A 223
 None
 1.26A 3u9fJ-4c2fA:
undetectable
3u9fL-4c2fA:
undetectable		 3u9fJ-4c2fA:
20.19
3u9fL-4c2fA:
20.19
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.
4cyd PROBABLE
TRANSCRIPTION
REGULATOR
PROBABLE EXPRESSION
TAG

(Corynebacterium
glutamicum;
synthetic
construct) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2)
no annotation 		5 CYH A  98
TYR F  -4
PHE F  -3
VAL A  58
PHE A  81
 None
 1.24A 3u9fJ-4cydA:
undetectable
3u9fL-4cydA:
undetectable		 3u9fJ-4cydA:
20.90
3u9fL-4cydA:
20.90
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 SER N 262
TYR N 288
LEU N 299
VAL N 298
PHE N 326
 None
 1.29A 3u9fJ-4heaN:
undetectable
3u9fL-4heaN:
undetectable		 3u9fJ-4heaN:
16.36
3u9fL-4heaN:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igo OS05G0196500 PROTEIN

(Oryza sativa) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 PHE A 473
PHE A 164
SER A 352
LEU A 359
VAL A 495
 None
 1.45A 3u9fJ-4igoA:
undetectable
3u9fL-4igoA:
undetectable		 3u9fJ-4igoA:
19.46
3u9fL-4igoA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mfi SN-GLYCEROL-3-PHOSPH
ATE ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN USPB

(Mycobacterium
tuberculosis) 		PF13416
(SBP_bac_8) 		5 THR A 343
SER A  49
LEU A 309
VAL A  97
PHE A 326
 None
 1.25A 3u9fJ-4mfiA:
undetectable
3u9fL-4mfiA:
undetectable		 3u9fJ-4mfiA:
18.92
3u9fL-4mfiA:
18.92
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.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		5 PHE A 319
SER A 301
SER A 379
LEU A  32
VAL A 344
 None
 1.35A 3u9fJ-4p3mA:
undetectable
3u9fL-4p3mA:
undetectable		 3u9fJ-4p3mA:
18.53
3u9fL-4p3mA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q9a TAT PATHWAY SIGNAL
SEQUENCE DOMAIN
PROTEIN

(Parabacteroides
merdae) 		PF13472
(Lipase_GDSL_2) 		5 CYH A  47
THR A  82
PHE A  51
PHE A  74
LEU A  43
 None
 1.49A 3u9fJ-4q9aA:
undetectable
3u9fL-4q9aA:
undetectable		 3u9fJ-4q9aA:
20.08
3u9fL-4q9aA:
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.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 PHE A 497
TYR A 492
PHE A 483
VAL A 472
PHE A 430
 None
 1.41A 3u9fJ-4wd1A:
undetectable
3u9fL-4wd1A:
undetectable		 3u9fJ-4wd1A:
13.92
3u9fL-4wd1A:
13.92
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 PHE A 261
SER A 217
LEU A 304
VAL A 309
PHE A 311
 None
 1.26A 3u9fJ-4y9wA:
undetectable
3u9fL-4y9wA:
undetectable		 3u9fJ-4y9wA:
18.97
3u9fL-4y9wA:
18.97
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.
5d9t DEHYDROASCORBATE
REDUCTASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 HIS A 134
THR A  92
SER A 148
LEU A 131
VAL A 180
 None
 1.37A 3u9fJ-5d9tA:
undetectable
3u9fL-5d9tA:
undetectable		 3u9fJ-5d9tA:
20.24
3u9fL-5d9tA:
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.
5dy1 TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		5 PHE A 160
THR A  79
SER A  78
LEU A 107
VAL A 166
 None
 1.49A 3u9fJ-5dy1A:
undetectable
3u9fL-5dy1A:
undetectable		 3u9fJ-5dy1A:
20.82
3u9fL-5dy1A:
20.82
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.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 HIS A 133
THR A  91
SER A 148
LEU A 130
VAL A 180
 None
 1.36A 3u9fJ-5elgA:
undetectable
3u9fL-5elgA:
undetectable		 3u9fJ-5elgA:
23.77
3u9fL-5elgA:
23.77
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.
5eur UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		no annotation 5 THR A  43
SER A  42
LEU A   8
VAL A  21
PHE A  31
 None
 1.08A 3u9fJ-5eurA:
undetectable
3u9fL-5eurA:
undetectable		 3u9fJ-5eurA:
19.63
3u9fL-5eurA:
19.63
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.
5evo DEHYDROASCORBATE
REDUCTASE

(Cenchrus
americanus) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 HIS A 134
THR A  92
SER A 148
LEU A 131
VAL A 180
 None
 1.38A 3u9fJ-5evoA:
undetectable
3u9fL-5evoA:
undetectable		 3u9fJ-5evoA:
22.18
3u9fL-5evoA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f38 ACETYL-COA
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 PHE B 236
HIS B 157
PHE B 320
SER B 248
LEU B 145
 COZ  B 401 (-4.4A)
COZ  B 401 (-4.6A)
COZ  B 401 (-4.6A)
COZ  B 401 (-3.9A)
None
 1.39A 3u9fJ-5f38B:
undetectable
3u9fL-5f38B:
undetectable		 3u9fJ-5f38B:
18.72
3u9fL-5f38B:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gkv ESTERASE A

(Caulobacter
vibrioides) 		PF00144
(Beta-lactamase) 		5 THR A  69
SER A 329
LEU A 300
VAL A 299
PHE A 229
 None
 1.31A 3u9fJ-5gkvA:
undetectable
3u9fL-5gkvA:
undetectable		 3u9fJ-5gkvA:
20.94
3u9fL-5gkvA:
20.94
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.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 5 PHE A 887
THR A 680
PHE A 684
VAL A 882
PHE A 878
 None
None
None
None
LLN  A1003 (-3.8A)
 1.44A 3u9fJ-5h2rA:
undetectable
3u9fL-5h2rA:
undetectable		 3u9fJ-5h2rA:
20.65
3u9fL-5h2rA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 5 PHE A  42
CYH A  83
LEU A  35
VAL A  80
PHE A  68
 None
 1.15A 3u9fJ-5hdtA:
undetectable
3u9fL-5hdtA:
undetectable		 3u9fJ-5hdtA:
11.48
3u9fL-5hdtA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jp9 CMP
5-HYDROXYMETHYLASE

(Streptomyces
rimofaciens) 		PF00303
(Thymidylat_synt) 		5 SER A 189
PHE A 188
LEU A 258
VAL A 257
PHE A 292
 None
 1.41A 3u9fJ-5jp9A:
undetectable
3u9fL-5jp9A:
undetectable		 3u9fJ-5jp9A:
20.49
3u9fL-5jp9A:
20.49
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.
5olt -

(-) 		no annotation 5 THR A 222
SER A 289
LEU A 285
VAL A 440
PHE A 271
 None
 1.17A 3u9fJ-5oltA:
undetectable
3u9fL-5oltA:
undetectable		 3u9fJ-5oltA:
undetectable
3u9fL-5oltA:
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 5 THR A  76
SER A 128
TYR A 172
SER A  71
VAL A 185
 None
 1.42A 3u9fJ-5w21A:
undetectable
3u9fL-5w21A:
undetectable		 3u9fJ-5w21A:
undetectable
3u9fL-5w21A:
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 THR C 790
SER C 562
LEU C 500
VAL C 499
PHE C 515
 None
 1.43A 3u9fJ-5x6xC:
undetectable
3u9fL-5x6xC:
undetectable		 3u9fJ-5x6xC:
undetectable
3u9fL-5x6xC:
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.
5xnd PARVALBUMIN BETA

(Scomber
japonicus) 		no annotation 5 PHE A  31
CYH A  34
PHE A 103
LEU A   7
VAL A  12
 None
 1.46A 3u9fJ-5xndA:
undetectable
3u9fL-5xndA:
undetectable		 3u9fJ-5xndA:
undetectable
3u9fL-5xndA:
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.
5xyb -

(-) 		no annotation 5 SER A 358
PHE A 167
SER A 351
LEU A 366
PHE A 276
 None
 1.39A 3u9fJ-5xybA:
undetectable
3u9fL-5xybA:
undetectable		 3u9fJ-5xybA:
undetectable
3u9fL-5xybA:
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.
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1

(Homo sapiens) 		no annotation 5 THR A 778
SER A 779
PHE A 145
LEU A 265
VAL A 269
 None
 1.19A 3u9fJ-6c9dA:
undetectable
3u9fL-6c9dA:
undetectable		 3u9fJ-6c9dA:
undetectable
3u9fL-6c9dA:
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A 539
SER A 537
TYR A 578
SER A 541
PHE A 279
 None
 1.42A 3u9fJ-6coyA:
undetectable
3u9fL-6coyA:
undetectable		 3u9fJ-6coyA:
undetectable
3u9fL-6coyA:
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.
6emz INT PROTEIN

(Enterococcus
faecalis) 		no annotation 5 CYH A 121
SER A 129
LEU A 118
VAL A  84
PHE A 159
 None
 1.49A 3u9fJ-6emzA:
undetectable
3u9fL-6emzA:
undetectable		 3u9fJ-6emzA:
undetectable
3u9fL-6emzA:
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.
6fpe TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE

(Thermotoga
maritima) 		no annotation 5 THR B 138
PHE B 207
LEU B 271
VAL B 275
PHE B 288
 None
 1.36A 3u9fJ-6fpeB:
undetectable
3u9fL-6fpeB:
undetectable		 3u9fJ-6fpeB:
undetectable
3u9fL-6fpeB:
undetectable