SIMILAR PATTERNS OF AMINO ACIDS FOR 3SUG_A_SUEA1201_2

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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 None
 0.58A 3sugA-1cu1A:
34.9		 3sugA-1cu1A:
80.10
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.
1e9y UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 GLN B 471
TYR B 475
LEU A  11
LYS A  10
 None
 1.35A 3sugA-1e9yB:
0.0		 3sugA-1e9yB:
17.22
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.
1ioo SF11-RNASE

(Nicotiana alata) 		PF00445
(Ribonuclease_T2) 		4 PHE A  29
TYR A 164
LEU A 111
LYS A 112
 None
None
None
NAG  A 197 (-2.9A)
 1.22A 3sugA-1iooA:
0.0		 3sugA-1iooA:
19.48
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.
1kkh MEVALONATE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 GLN A 153
TYR A 146
LEU A  82
LYS A  79
 None
 1.42A 3sugA-1kkhA:
undetectable		 3sugA-1kkhA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 None
 0.85A 3sugA-1ns3A:
30.3		 3sugA-1ns3A:
77.00
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.
1rki HYPOTHETICAL PROTEIN

(Pyrobaculum
aerophilum) 		PF11424
(DUF3195) 		4 GLN A  56
TYR A  27
LEU A  63
LYS A  61
 None
 1.23A 3sugA-1rkiA:
undetectable		 3sugA-1rkiA:
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 GLN A  71
PHE A 422
TYR A 135
LEU A 425
 None
None
None
SRM  A 569 (-4.2A)
 1.45A 3sugA-1zj9A:
0.0		 3sugA-1zj9A:
17.57
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.
2bzw APOPTOSIS REGULATOR
BCL-X

(Mus musculus) 		PF00452
(Bcl-2)
PF02180
(BH4) 		4 PHE A 144
TYR A 173
LEU A  17
LYS A  16
 None
 1.48A 3sugA-2bzwA:
undetectable		 3sugA-2bzwA:
22.08
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 GLN G 163
PHE G 427
TYR G 311
LEU G 339
 None
 1.38A 3sugA-2uv8G:
0.0		 3sugA-2uv8G:
6.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xa0 APOPTOSIS REGULATOR
BCL-2

(Homo sapiens) 		PF00452
(Bcl-2)
PF02180
(BH4) 		4 PHE A 151
TYR A 180
LEU A  23
LYS A  22
 None
 1.36A 3sugA-2xa0A:
undetectable		 3sugA-2xa0A:
22.27
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.
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00750
(tRNA-synt_1d)
PF05746
(DALR_1) 		4 GLN A 403
TYR A 412
LEU A 352
LYS A 353
 None
 1.32A 3sugA-3fnrA:
undetectable		 3sugA-3fnrA:
18.65
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		4 GLN A 336
PHE A 333
TYR A 261
LYS A 313
 None
 1.43A 3sugA-3k8kA:
undetectable		 3sugA-3k8kA:
15.22
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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		4 PHE A 178
TYR A 327
LEU A 154
LYS A 151
 None
 1.40A 3sugA-3w9iA:
undetectable		 3sugA-3w9iA:
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.
4cvq GLUTAMATE-PYRUVATE
AMINOTRANSFERASE
ALAA

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 GLN A 358
PHE A 398
LEU A  36
LYS A 360
 None
 1.27A 3sugA-4cvqA:
undetectable		 3sugA-4cvqA:
19.10
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 187
TYR A 350
LEU A 192
LYS A 191
 None
 1.27A 3sugA-4it1A:
undetectable		 3sugA-4it1A:
19.13
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.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		4 PHE A  54
TYR A  93
LEU A  11
LYS A  42
 None
 1.43A 3sugA-4kr8A:
undetectable		 3sugA-4kr8A:
22.36
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.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		4 GLN A 116
TYR A 109
LEU A  61
LYS A  62
 None
 1.41A 3sugA-4kvfA:
undetectable		 3sugA-4kvfA:
23.47
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.
4lq6 N-ACETYMURAMYL-L-ALA
NINE AMIDASE-RELATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01520
(Amidase_3) 		4 GLN A 213
PHE A 209
TYR A 170
LEU A 202
 None
 1.47A 3sugA-4lq6A:
undetectable		 3sugA-4lq6A:
24.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 2R8  A 301 ( 3.5A)
2R8  A 301 (-4.6A)
None
2R8  A 301 (-4.4A)
 0.58A 3sugA-4nwkA:
34.8		 3sugA-4nwkA:
98.48
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.
4pd4 CYTOCHROME B

(Saccharomyces
cerevisiae) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 GLN C  22
TYR C  16
LEU C 230
LYS C 228
 UQ6  C4005 (-2.8A)
None
None
None
 1.05A 3sugA-4pd4C:
undetectable		 3sugA-4pd4C:
19.38
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		4 GLN A 207
PHE A 221
TYR A  72
LEU A 203
 None
 1.41A 3sugA-4y5rA:
undetectable		 3sugA-4y5rA:
22.16
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 GLN A 404
TYR A 598
LEU A 477
LYS A 476
 None
 1.28A 3sugA-5dkxA:
undetectable		 3sugA-5dkxA:
12.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 PHE A 110
TYR A 404
LEU A  89
LYS A  87
 None
None
EDO  A 505 (-4.4A)
None
 1.02A 3sugA-5e4rA:
undetectable		 3sugA-5e4rA:
17.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		5 GLN A1041
PHE A1043
TYR A1056
LEU A1135
LYS A1136
 5RS  A1203 (-2.9A)
5RS  A1203 (-4.3A)
SO4  A1201 ( 4.5A)
5RS  A1203 (-4.2A)
5RS  A1203 (-4.8A)
 0.33A 3sugA-5eqqA:
36.4		 3sugA-5eqqA:
94.00
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 4 PHE A 243
TYR A 239
LEU A 258
LYS A 259
 None
None
None
NFF  A 401 ( 4.8A)
 1.47A 3sugA-5ty7A:
undetectable		 3sugA-5ty7A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5woz REGULATOR OF TY1
TRANSPOSITION
PROTEIN 103

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A   3
TYR A  29
LEU A  11
LYS A   7
 None
 1.42A 3sugA-5wozA:
undetectable		 3sugA-5wozA:
14.65
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT D

(Saccharomyces
cerevisiae) 		no annotation 4 GLN B 258
PHE B 254
LEU B 241
LYS B 238
 None
 1.49A 3sugA-6c6lB:
undetectable		 3sugA-6c6lB:
16.93
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C

(Pyrococcus
furiosus) 		no annotation 4 GLN D  19
PHE D  20
TYR G   6
LEU D  28
 None
 1.33A 3sugA-6cfwD:
undetectable		 3sugA-6cfwD:
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.
6djw RBR-TYPE E3
UBIQUITIN
TRANSFERASE,RBR-TYPE
E3 UBIQUITIN
TRANSFERASE

(Bactrocera
dorsalis) 		no annotation 4 GLN A 351
TYR A 320
LEU A 341
LYS A 340
 None
 0.95A 3sugA-6djwA:
undetectable		 3sugA-6djwA:
18.44