SIMILAR PATTERNS OF AMINO ACIDS FOR 3OKX_A_SAMA201_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.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		4 HIS A 110
SER A 132
ASP A 339
THR A 315
 FMN  A4001 ( 3.8A)
EPS  A5001 (-3.5A)
FMN  A4001 ( 4.9A)
FMN  A4001 (-2.9A)
 1.12A 3okxA-1qxoA:
0.0		 3okxA-1qxoA:
19.58
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.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 SER A 344
ARG A 251
ASP A 116
THR A 267
 None
 1.40A 3okxA-1v5vA:
0.4		 3okxA-1v5vA:
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.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 SER A 344
ARG A 251
ASP A 118
THR A 267
 None
 1.44A 3okxA-1v5vA:
0.4		 3okxA-1v5vA:
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.
1v6y ENDO-1,4-BETA-D-XYLA
NASE AND
ENDO-1,4-BETA-XYLANA
SE B

(Cellulomonas
fimi;
Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10) 		4 SER A 206
ARG A 218
ASP A 216
THR A 182
 None
 1.40A 3okxA-1v6yA:
0.0		 3okxA-1v6yA:
19.75
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.
1y30 HYPOTHETICAL PROTEIN
RV1155

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 SER A  50
ARG A 121
ASP A  97
THR A  89
 None
 1.48A 3okxA-1y30A:
1.7		 3okxA-1y30A:
20.56
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		4 HIS A 434
ARG A 591
ASP A   8
THR A  77
 None
ADP  A1001 (-3.3A)
MG  A1003 ( 4.1A)
None
 0.98A 3okxA-2d0oA:
0.0		 3okxA-2d0oA:
14.92
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		4 SER A 172
ARG A 160
ASP A 399
THR A 166
 None
2A3  A 602 (-3.0A)
None
None
 1.39A 3okxA-3anyA:
0.0		 3okxA-3anyA:
16.59
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.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		4 HIS C  78
SER C  72
ARG C 216
ASP C 161
 None
KCX  C  75 ( 2.7A)
None
None
 1.48A 3okxA-3if6C:
0.0		 3okxA-3if6C:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3okx YAEB-LIKE PROTEIN
RPA0152

(Rhodopseudomonas
palustris) 		PF01980
(UPF0066) 		4 SER A  81
ARG A 103
ASP A 132
THR A 137
 SAM  A 201 (-3.1A)
SAM  A 201 (-4.0A)
SAM  A 201 (-3.1A)
SAM  A 201 (-3.2A)
 0.00A 3okxA-3okxA:
27.3		 3okxA-3okxA:
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.
3rqb UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF13622
(4HBT_3) 		4 HIS A 118
ARG A 221
ASP A 253
THR A 119
 None
 1.44A 3okxA-3rqbA:
0.0		 3okxA-3rqbA:
20.85
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.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		4 HIS A 227
SER A 229
ARG A 272
THR A 202
 None
 1.31A 3okxA-3uk2A:
undetectable		 3okxA-3uk2A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 HIS A 274
SER A 276
ARG A 336
THR A 357
 None
 1.37A 3okxA-3viuA:
undetectable		 3okxA-3viuA:
13.19
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 SER A 361
ARG A 177
ASP A 411
THR A 329
 None
 1.47A 3okxA-4cgyA:
undetectable		 3okxA-4cgyA:
14.61
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 HIS A  11
SER A 229
ARG A 243
THR A  40
 ZN  A 303 ( 3.3A)
None
CL  A 306 ( 4.8A)
None
 1.41A 3okxA-4gk8A:
undetectable		 3okxA-4gk8A:
19.22
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.
4mcx ANTIDOTE PROTEIN
KILLER PROTEIN

(Proteus
vulgaris;
Proteus
vulgaris) 		PF01381
(HTH_3)
PF05015
(HigB-like_toxin) 		4 HIS A   8
SER A   7
ARG B  29
ASP A  16
 None
 1.26A 3okxA-4mcxA:
undetectable		 3okxA-4mcxA:
23.49
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.
4ogc HNH ENDONUCLEASE
DOMAIN PROTEIN

(Actinomyces
naeslundii) 		PF01844
(HNH) 		4 HIS A  21
ARG A 527
ASP A 509
THR A  20
 None
 1.47A 3okxA-4ogcA:
undetectable		 3okxA-4ogcA:
10.58
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		4 SER A 120
ARG A  28
ASP A 109
THR A  56
 None
 1.39A 3okxA-4p9nA:
undetectable		 3okxA-4p9nA:
19.22
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.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''
DNA-DIRECTED RNA
POLYMERASE SUBUNIT H

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF04998
(RNA_pol_Rpb1_5)
PF01191
(RNA_pol_Rpb5_C) 		4 SER H  67
ARG C 294
ASP C 301
THR A 887
 None
 1.46A 3okxA-4qiwH:
undetectable		 3okxA-4qiwH:
18.93
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.
4xpu ENDONUCLEASE V

(Escherichia
coli) 		PF04493
(Endonuclease_5) 		4 HIS A 109
SER A 108
ARG A 197
ASP A 103
 None
 1.12A 3okxA-4xpuA:
undetectable		 3okxA-4xpuA:
26.73
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.
4y0i 4-AMINOBUTYRATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Sus scrofa) 		PF00202
(Aminotran_3) 		4 HIS A 201
SER A 202
ASP A 298
THR A 199
 None
None
PSZ  A 501 (-2.8A)
None
 1.28A 3okxA-4y0iA:
undetectable		 3okxA-4y0iA:
16.85
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.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		4 HIS A 212
SER A  21
ASP A  40
THR A  17
 GSH  A 302 ( 4.8A)
None
None
None
 1.20A 3okxA-4yslA:
undetectable		 3okxA-4yslA:
23.15
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.
5giv CARBOXYPEPTIDASE 1

(Deinococcus
radiodurans) 		PF02074
(Peptidase_M32) 		4 SER A 346
ARG A 251
ASP A 256
THR A 342
 None
 1.40A 3okxA-5givA:
undetectable		 3okxA-5givA:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gll GLYCOSIDE HYDROLASE
FAMILY 43

(uncultured
bacterium) 		PF04616
(Glyco_hydro_43) 		4 HIS A 334
SER A  72
ARG A 122
THR A 317
 None
GOL  A 403 ( 4.5A)
None
GOL  A 403 (-4.0A)
 1.25A 3okxA-5gllA:
undetectable		 3okxA-5gllA:
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 HIS A 432
SER A 433
ASP A 410
THR A 441
 None
 1.18A 3okxA-5ihrA:
undetectable		 3okxA-5ihrA:
10.75
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.
5njf METALLOPROTEASE PMBA

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		4 HIS B 187
SER B 214
ASP B 125
THR B 185
 None
 1.38A 3okxA-5njfB:
undetectable		 3okxA-5njfB:
18.01
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.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		4 SER A 516
ARG A 923
ASP A 367
THR A 510
 None
 1.39A 3okxA-5u70A:
undetectable		 3okxA-5u70A:
9.58
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 HIS A  66
ARG A 128
ASP A  73
THR A 107
 None
 1.46A 3okxA-5xfaA:
undetectable		 3okxA-5xfaA:
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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 4 HIS A 183
SER A  86
ASP A 297
THR A 251
 None
None
None
33O  A 801 ( 3.9A)
 1.49A 3okxA-5yj6A:
undetectable		 3okxA-5yj6A:
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.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15) 		no annotation 4 HIS A 275
SER A 273
ASP A 244
THR A 258
 None
 1.36A 3okxA-6bfuA:
undetectable		 3okxA-6bfuA:
11.38