SIMILAR PATTERNS OF AMINO ACIDS FOR 4UDA_A_DEXA1985_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.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 LEU A  64
ALA A 328
MET A  22
LEU A  27
PHE A 333
 None
 1.44A 4udaA-1icpA:
undetectable		 4udaA-1icpA:
20.92
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 228
GLN A 231
SER A 235
CYH A 245
PHE A 152
 None
 1.34A 4udaA-1v7vA:
undetectable		 4udaA-1v7vA:
14.34
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.
1wuf HYPOTHETICAL PROTEIN
LIN2664

(Listeria
innocua) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A1147
ASN A1151
GLN A1156
ARG A1322
LEU A1184
 None
 1.48A 4udaA-1wufA:
undetectable		 4udaA-1wufA:
19.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 701
ASN A 705
GLN A 711
MET A 742
ARG A 752
MET A 780
LEU A 873
PHE A 891
 None
BHM  A   1 (-3.6A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 ( 4.3A)
BHM  A   1 (-4.4A)
None
 0.96A 4udaA-2ax9A:
35.8		 4udaA-2ax9A:
52.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 701
GLN A 711
MET A 742
ARG A 752
MET A 780
MET A 787
LEU A 873
 None
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 ( 4.3A)
BHM  A   1 (-3.6A)
BHM  A   1 (-4.4A)
 0.95A 4udaA-2ax9A:
35.8		 4udaA-2ax9A:
52.16
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.
2k77 NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF02861
(Clp_N) 		5 LEU A 112
ALA A  47
GLN A  51
SER A  57
LEU A  36
 None
 1.27A 4udaA-2k77A:
undetectable		 4udaA-2k77A:
19.29
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.
2n84 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF00498
(FHA) 		5 LEU A  87
ALA A 152
SER A 156
CYH A  71
PHE A 119
 None
 1.19A 4udaA-2n84A:
undetectable		 4udaA-2n84A:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		11 LEU A  29
ASN A  33
ALA A  36
GLN A  39
MET A  70
ARG A  80
MET A 108
MET A 115
LEU A 201
CYH A 205
PHE A 219
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
1CA  A 247 ( 3.7A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-4.5A)
 0.50A 4udaA-2q3yA:
38.8		 4udaA-2q3yA:
73.71
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.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		5 LEU A 195
ASN A 191
MET A 183
SER A 184
ARG A   4
 None
 1.42A 4udaA-3e53A:
undetectable		 4udaA-3e53A:
19.03
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.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		5 LEU A 167
ALA A 174
GLN A 177
SER A 279
LEU A 251
 None
 1.26A 4udaA-3euaA:
undetectable		 4udaA-3euaA:
21.97
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 LEU A 197
ASN A 201
ALA A 202
MET A  57
LEU A 135
 None
 1.34A 4udaA-3irvA:
undetectable		 4udaA-3irvA:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLN A 725
MET A 756
ARG A 766
MET A 801
LEU A 887
CYH A 891
 WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
 0.82A 4udaA-3kbaA:
36.0		 4udaA-3kbaA:
55.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 715
ASN A 719
MET A 756
ARG A 766
MET A 801
LEU A 887
CYH A 891
PHE A 905
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-4.6A)
 0.58A 4udaA-3kbaA:
36.0		 4udaA-3kbaA:
55.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		10 LEU A  29
ASN A  33
GLN A  39
MET A  70
ARG A  80
MET A 108
MET A 115
LEU A 201
CYH A 205
PHE A 219
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-3.6A)
1CA  A 249 ( 4.2A)
1CA  A 249 (-4.0A)
1CA  A 249 (-4.3A)
 0.38A 4udaA-3ry9A:
38.2		 4udaA-3ry9A:
70.12
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 352
ALA A 329
GLN A 326
MET A 110
LEU A  52
 None
 1.28A 4udaA-3ugvA:
undetectable		 4udaA-3ugvA:
20.05
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.
4iqg SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Polaromonas sp.
JS666) 		no annotation 5 LEU C  68
ALA C  59
GLN C  58
CYH C 119
PHE C  71
 None
 1.38A 4udaA-4iqgC:
undetectable		 4udaA-4iqgC:
21.38
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 280
ALA A 287
MET A 321
ARG A 331
MET A 358
PHE A 462
 None
 0.80A 4udaA-4n1yA:
28.9		 4udaA-4n1yA:
27.31
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.
4o2i NON-LEE ENCODED TYPE
III EFFECTOR C

(Citrobacter
rodentium) 		PF13678
(Peptidase_M85) 		5 LEU A 236
ALA A 243
GLN A 246
SER A 171
PHE A 163
 None
 1.11A 4udaA-4o2iA:
undetectable		 4udaA-4o2iA:
21.97
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.
4o2i NON-LEE ENCODED TYPE
III EFFECTOR C

(Citrobacter
rodentium) 		PF13678
(Peptidase_M85) 		5 LEU A 236
ASN A 240
ALA A 243
GLN A 246
SER A 171
 None
 1.40A 4udaA-4o2iA:
undetectable		 4udaA-4o2iA:
21.97
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.
4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Sulfurospirillum
deleyianum) 		PF03480
(DctP) 		5 LEU A 232
ALA A 205
SER A 149
LEU A 209
PHE A 190
 SIN  A 401 ( 4.3A)
None
None
None
SIN  A 401 (-2.5A)
 1.33A 4udaA-4ovsA:
undetectable		 4udaA-4ovsA:
20.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ASN A 564
GLN A 570
MET A 601
ARG A 611
MET A 646
LEU A 732
CYH A 736
PHE A 749
 MOF  A 801 (-3.0A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
 0.62A 4udaA-4p6wA:
35.5		 4udaA-4p6wA:
56.97
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.
4rul DNA TOPOISOMERASE 1

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01396
(zf-C4_Topoisom)
PF01751
(Toprim)
PF08272
(Topo_Zn_Ribbon) 		5 LEU A 182
ALA A 193
MET A 538
SER A 198
MET A 587
 None
 1.41A 4udaA-4rulA:
undetectable		 4udaA-4rulA:
13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 LEU A 766
ASN A 770
ALA A 773
GLN A 776
MET A 807
ARG A 817
MET A 852
LEU A 938
CYH A 942
PHE A 956
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.7A)
 0.26A 4udaA-4udbA:
38.5		 4udaA-4udbA:
99.60
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		5 ALA A  52
GLN A  51
SER A 148
LEU A 153
PHE A 359
 None
 1.38A 4udaA-4uwqA:
undetectable		 4udaA-4uwqA:
17.67
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		5 LEU A 377
ASN A 378
SER A 501
MET A 348
LEU A 370
 None
 1.46A 4udaA-4wisA:
2.3		 4udaA-4wisA:
15.12
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.
4wjv RIBOSOME ASSEMBLY
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 LEU A 468
SER A 495
ARG A 335
MET A 159
LEU A 512
 None
 1.44A 4udaA-4wjvA:
undetectable		 4udaA-4wjvA:
21.71
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.
4z5p CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 LEU A 153
ALA A 103
MET A 112
LEU A 353
PHE A 229
 None
None
None
HEM  A 401 ( 4.8A)
HEM  A 401 ( 4.9A)
 1.32A 4udaA-4z5pA:
undetectable		 4udaA-4z5pA:
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.
5b7w UPF0234 PROTEIN
XC_3703

(Xanthomonas
campestris) 		PF04461
(DUF520) 		5 LEU A 154
ALA A 143
GLN A 139
ARG A 135
LEU A 112
 None
 1.41A 4udaA-5b7wA:
undetectable		 4udaA-5b7wA:
20.63
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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 LEU A  55
ALA A 337
MET A  13
LEU A  18
PHE A 342
 None
 1.49A 4udaA-5dxxA:
undetectable		 4udaA-5dxxA:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 7 ALA A 773
GLN A 776
MET A 807
SER A 810
ARG A 817
MET A 852
LEU A 938
 ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-3.4A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
ECV  A1101 ( 4.3A)
 0.93A 4udaA-5mwpA:
39.9		 4udaA-5mwpA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 11 LEU A 766
ASN A 770
ALA A 773
GLN A 776
MET A 807
SER A 810
ARG A 817
MET A 845
LEU A 938
CYH A 942
PHE A 956
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-3.4A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.7A)
 0.59A 4udaA-5mwpA:
39.9		 4udaA-5mwpA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 ASN A 560
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.92A 4udaA-5uc1A:
23.5		 4udaA-5uc1A:
53.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 ASN A  33
GLN A  39
ARG A  80
MET A 108
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 (-3.0A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 (-4.0A)
 0.89A 4udaA-5ufsA:
37.3		 4udaA-5ufsA:
62.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 ASN A  33
GLN A  39
MET A  70
ARG A  80
MET A 115
LEU A 201
CYH A 205
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-4.0A)
 0.36A 4udaA-5ufsA:
37.3		 4udaA-5ufsA:
62.40
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 5 LEU M  68
ALA M 232
MET M 294
SER M 290
LEU M 315
 3PE  M 503 ( 4.2A)
None
None
None
None
 1.46A 4udaA-6g2jM:
undetectable		 4udaA-6g2jM:
18.37