SIMILAR PATTERNS OF AMINO ACIDS FOR 1QKT_A_ESTA600_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.
1cw0 PROTEIN (DNA
MISMATCH
ENDONUCLEASE)

(Escherichia
coli) 		PF03852
(Vsr) 		5 LEU A 134
ALA A 129
LEU A 125
LEU A 119
ARG A  27
 None
 1.48A 1qktA-1cw0A:
undetectable		 1qktA-1cw0A:
22.00
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.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		5 LEU A 148
LEU A 179
LEU A  53
ARG A  63
HIS A 136
 None
 1.28A 1qktA-1eg3A:
undetectable		 1qktA-1eg3A:
22.74
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.
1jdp ATRIAL NATRIURETIC
PEPTIDE CLEARANCE
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A 274
ALA A 270
LEU A 227
ARG A 259
MET A 215
 None
 1.47A 1qktA-1jdpA:
undetectable		 1qktA-1jdpA:
21.04
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.25A 1qktA-1loxA:
undetectable		 1qktA-1loxA:
17.85
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.
1mtp SERINE PROTEINASE
INHIBITOR (SERPIN),
CHAIN A

(Thermobifida
fusca) 		PF00079
(Serpin) 		5 LEU A 158
ALA A 156
LEU A 294
LEU A 286
MET A 105
 None
 1.37A 1qktA-1mtpA:
undetectable		 1qktA-1mtpA:
22.25
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.
1o8c YHDH

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A  98
ALA A   3
LEU A   5
MET A  59
LEU A   6
 None
 1.40A 1qktA-1o8cA:
undetectable		 1qktA-1o8cA:
21.45
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.
1odg DNA MISMATCH
ENDONUCLEASE

(Escherichia
coli) 		PF03852
(Vsr) 		5 LEU A 134
ALA A 129
LEU A 125
LEU A 119
ARG A  27
 None
 1.39A 1qktA-1odgA:
undetectable		 1qktA-1odgA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 MET A 342
LEU A 346
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
 None
EST  A   1 (-4.4A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
 1.35A 1qktA-1pcgA:
32.9		 1qktA-1pcgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
HIS A 524
 EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 (-3.8A)
 0.56A 1qktA-1pcgA:
32.9		 1qktA-1pcgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.60A 1qktA-1xb7A:
25.1		 1qktA-1xb7A:
33.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 268
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.74A 1qktA-2gpvA:
26.4		 1qktA-2gpvA:
37.15
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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 LEU D 158
LEU D 103
LEU D 104
ARG D 221
HIS D 156
 None
 1.42A 1qktA-2j5gD:
undetectable		 1qktA-2j5gD:
24.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 MET A 342
LEU A 346
GLU A 353
MET A 388
LEU A 391
ARG A 394
 None
EST  A 596 (-4.4A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
 1.47A 1qktA-2ocfA:
31.7		 1qktA-2ocfA:
98.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
HIS A 524
 EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 (-4.2A)
 0.54A 1qktA-2ocfA:
31.7		 1qktA-2ocfA:
98.39
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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  32
ALA A  36
LEU A  77
ARG A  80
MET A 108
 1CA  A 247 (-4.0A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
 0.41A 1qktA-2q3yA:
24.5		 1qktA-2q3yA:
27.57
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.
3h3z CYCLIC
NUCLEOTIDE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 LEU A  15
ALA A  10
LEU A  28
LEU A  27
HIS A  53
 None
 1.40A 1qktA-3h3zA:
undetectable		 1qktA-3h3zA:
22.15
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.
3l09 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Jannaschia sp.
CCS1) 		PF07848
(PaaX) 		5 LEU A  11
ALA A  14
GLU A  18
LEU A  21
ARG A 215
 None
None
None
SO4  A 266 (-4.6A)
SO4  A 266 (-4.1A)
 1.47A 1qktA-3l09A:
undetectable		 1qktA-3l09A:
25.00
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 MET A  29
LEU A  32
ALA A  35
LEU A  70
LEU A  67
 None
 1.43A 1qktA-3n58A:
undetectable		 1qktA-3n58A:
20.50
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.17A 1qktA-3rdeA:
undetectable		 1qktA-3rdeA:
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 LEU A  21
ALA A  19
GLU A  11
LEU A  76
ARG A   9
 None
 1.32A 1qktA-3ugkA:
undetectable		 1qktA-3ugkA:
19.95
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		5 LEU A 389
GLU A 382
MET A 423
LEU A 426
ARG A 425
 None
 1.42A 1qktA-4b3gA:
undetectable		 1qktA-4b3gA:
17.77
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.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 123
ALA A 121
GLU A 119
LEU A 117
LEU A 265
 None
 1.35A 1qktA-4e3cA:
undetectable		 1qktA-4e3cA:
17.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 283
ALA A 287
GLU A 290
LEU A 324
ARG A 331
MET A 358
 None
 0.67A 1qktA-4n1yA:
26.7		 1qktA-4n1yA:
38.98
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.
4q4g PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 LEU X1188
ALA X1183
GLU X1182
LEU X1009
ARG X1196
 None
 1.48A 1qktA-4q4gX:
undetectable		 1qktA-4q4gX:
20.21
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 769
ALA A 773
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.26A 1qktA-4udbA:
24.3		 1qktA-4udbA:
28.15
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 MET A 708
LEU A 695
ALA A 647
GLU A 651
LEU A 577
 None
 1.34A 1qktA-4z7gA:
undetectable		 1qktA-4z7gA:
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.
5c1i TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI

(Thermus
thermophilus) 		PF08704
(GCD14) 		5 LEU A 191
ALA A 248
LEU A  88
MET A  85
LEU A  89
 None
 1.39A 1qktA-5c1iA:
undetectable		 1qktA-5c1iA:
22.15
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.
5mlv -

(-) 		no annotation 5 MET G 202
LEU G 219
ALA G 223
LEU G 177
MET G 176
 None
 1.01A 1qktA-5mlvG:
undetectable		 1qktA-5mlvG:
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 769
ALA A 773
LEU A 814
ARG A 817
MET A 845
 ECV  A1101 (-4.7A)
ECV  A1101 (-3.8A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
 0.40A 1qktA-5mwpA:
23.8		 1qktA-5mwpA:
16.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 MET A 294
LEU A 298
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
 None
EST  A 601 (-4.1A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 1.31A 1qktA-5toaA:
29.1		 1qktA-5toaA:
59.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 MET A 295
LEU A 298
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
HIS A 475
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
 0.54A 1qktA-5toaA:
29.1		 1qktA-5toaA:
59.11