SIMILAR PATTERNS OF AMINO ACIDS FOR 2XKW_A_P1BA1478_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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 SER A 146
ILE A 127
MET A  49
LEU A 187
TYR A 179
 None
 1.01A 2xkwA-1juvA:
0.0		 2xkwA-1juvA:
23.16
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.
1k7s FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 PHE N 238
LEU N 227
MET N 246
MET N 188
LEU N 177
 None
 1.46A 2xkwA-1k7sN:
undetectable		 2xkwA-1k7sN:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 HIS A 369
TYR A 374
LEU A 377
ILE A 164
HIS A 216
 None
 1.28A 2xkwA-1ry2A:
0.0		 2xkwA-1ry2A:
18.84
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.
1vgp 373AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 PHE A 322
SER A 333
HIS A 149
ILE A  94
LEU A 174
 None
 1.35A 2xkwA-1vgpA:
0.0		 2xkwA-1vgpA:
22.88
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.
2av9 THIOESTERASE

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		5 TYR A  98
LEU A  86
ILE A  18
HIS A 118
LEU A  54
 None
 1.41A 2xkwA-2av9A:
undetectable		 2xkwA-2av9A:
19.17
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 PHE A 768
SER A 775
LEU A 316
ILE A 730
LEU A 285
 None
 1.30A 2xkwA-2iukA:
0.0		 2xkwA-2iukA:
16.37
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.
2jbr P-HYDROXYPHENYLACETA
TE HYDROXYLASE C2
OXYGENASE COMPONENT

(Acinetobacter
baumannii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 SER A 170
LEU A 116
ILE A 215
MET A 392
LEU A 223
 None
 1.45A 2xkwA-2jbrA:
0.0		 2xkwA-2jbrA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 276
ILE A 339
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
735  A 469 ( 4.1A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.42A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 276
MET A 355
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.91A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 321
ILE A 339
HIS A 440
LEU A 460
TYR A 464
 735  A 469 ( 4.3A)
735  A 469 ( 4.1A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.04A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 273
CYH A 276
ILE A 339
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 ( 4.1A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.31A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 273
CYH A 276
MET A 355
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-2.9A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.97A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 273
LEU A 321
ILE A 339
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 ( 4.3A)
735  A 469 ( 4.1A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.47A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 273
SER A 280
LEU A 321
MET A 355
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.70A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 SER A 280
LEU A 321
MET A 355
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.63A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
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.
2wqp POLYSIALIC ACID
CAPSULE BIOSYNTHESIS
PROTEIN SIAC

(Neisseria
meningitidis) 		PF03102
(NeuB)
PF08666
(SAF) 		5 PHE A 112
SER A 132
LEU A 180
ILE A 151
TYR A 186
 WQP  A1350 (-4.6A)
WQP  A1350 (-2.7A)
None
None
WQP  A1350 (-3.9A)
 1.48A 2xkwA-2wqpA:
undetectable		 2xkwA-2wqpA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 PHE A 282
CYH A 285
HIS A 323
TYR A 327
LEU A 330
ILE A 341
MET A 348
MET A 364
HIS A 449
LEU A 469
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
None
MC5  A   1 (-4.4A)
MC5  A   1 (-4.5A)
MC5  A   1 ( 4.0A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.48A 2xkwA-3b0qA:
42.6		 2xkwA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 PHE A 282
SER A 289
HIS A 323
TYR A 327
LEU A 330
ILE A 341
MET A 348
MET A 364
HIS A 449
LEU A 469
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
None
MC5  A   1 (-4.4A)
MC5  A   1 (-4.5A)
MC5  A   1 ( 4.0A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.47A 2xkwA-3b0qA:
42.6		 2xkwA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 CYH A 285
HIS A 323
LEU A 330
HIS A 449
LEU A 469
TYR A 473
 L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.88A 2xkwA-3d5fA:
36.3		 2xkwA-3d5fA:
61.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 282
CYH A 285
HIS A 323
LEU A 330
LEU A 469
TYR A 473
 L41  A 501 ( 4.9A)
L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.86A 2xkwA-3d5fA:
36.3		 2xkwA-3d5fA:
61.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 CYH D 285
HIS D 323
TYR D 327
HIS D 449
TYR D 473
 PLB  D 701 (-3.2A)
None
None
None
None
 1.22A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 CYH D 285
SER D 289
LEU D 330
ILE D 341
MET D 348
MET D 364
HIS D 449
LEU D 469
TYR D 473
 PLB  D 701 (-3.2A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
None
None
None
 0.69A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 CYH D 285
TYR D 327
LEU D 330
ILE D 341
MET D 348
MET D 364
HIS D 449
LEU D 469
TYR D 473
 PLB  D 701 (-3.2A)
None
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
None
None
None
 0.84A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 PHE D 282
CYH D 285
SER D 289
LEU D 330
ILE D 341
MET D 348
MET D 364
LEU D 469
TYR D 473
 None
PLB  D 701 (-3.2A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
None
None
 0.49A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
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.
3ix1 N-FORMYL-4-AMINO-5-A
MINOMETHYL-2-METHYLP
YRIMIDINE BINDING
PROTEIN

(Bacillus
halodurans) 		PF09084
(NMT1) 		5 PHE A 294
HIS A  45
LEU A 280
MET A 249
LEU A 219
 None
 1.50A 2xkwA-3ix1A:
undetectable		 2xkwA-3ix1A:
22.19
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.
3pv6 IG-LIKE
DOMAIN-CONTAINING
PROTEIN
DKFZP686O24166/DKFZP
686I21167
NATURAL CYTOTOXICITY
TRIGGERING RECEPTOR
3

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER A  60
TYR A  52
LEU A  56
ILE A  63
LEU B  86
 None
 1.50A 2xkwA-3pv6A:
undetectable		 2xkwA-3pv6A:
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.
3qkw NUCLEOTIDE SUGAR
SYNTHETASE-LIKE
PROTEIN

(Streptococcus
parasanguinis) 		no annotation 5 TYR A 238
LEU A 105
ILE A 118
MET A 143
MET A 134
 None
 1.16A 2xkwA-3qkwA:
undetectable		 2xkwA-3qkwA:
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.
4hi0 UREASE ACCESSORY
PROTEIN UREG

(Helicobacter
pylori) 		PF02492
(cobW) 		5 PHE E 118
CYH E   7
SER E  99
HIS E  68
ILE E   4
 None
 1.39A 2xkwA-4hi0E:
undetectable		 2xkwA-4hi0E:
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 PHE A 265
TYR A 496
ILE A 284
LEU A 443
TYR A 439
 None
 1.40A 2xkwA-4jsoA:
undetectable		 2xkwA-4jsoA:
18.35
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.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		5 SER A  92
TYR A  56
LEU A  49
ILE A 253
LEU A 154
 None
 1.44A 2xkwA-4oxiA:
undetectable		 2xkwA-4oxiA:
19.72
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 SER A 462
LEU A 474
ILE A 229
LEU A 243
TYR A 247
 None
 1.36A 2xkwA-4xnuA:
undetectable		 2xkwA-4xnuA:
19.93
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 PHE A1305
HIS A1417
LEU A1565
HIS A1456
TYR A1413
 None
 1.39A 2xkwA-4xqkA:
undetectable		 2xkwA-4xqkA:
11.23
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.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 PHE A 272
HIS A 329
LEU A 290
ILE A 284
TYR A  55
 None
 1.47A 2xkwA-5e0cA:
undetectable		 2xkwA-5e0cA:
19.44
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		5 HIS A  82
LEU A  38
ILE A  19
LEU A 116
TYR A 114
 None
 1.26A 2xkwA-5l2pA:
undetectable		 2xkwA-5l2pA:
22.67
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.
5mra SORCIN

(Homo sapiens) 		no annotation 5 PHE A  70
SER A  61
LEU A  35
ILE A  49
MET A  90
 None
 1.27A 2xkwA-5mraA:
undetectable		 2xkwA-5mraA:
18.32