SIMILAR PATTERNS OF AMINO ACIDS FOR 2YLP_A_TESA1921_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
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) 		5 LEU A 700
LEU A 707
GLN A 711
MET A 749
ARG A 752
 None
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 (-4.3A)
BHM  A   1 (-3.8A)
 1.05A 2ylpA-2ax9A:
40.5		 2ylpA-2ax9A:
100.00
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) 		11 LEU A 701
ASN A 705
LEU A 707
GLN A 711
MET A 742
MET A 745
MET A 749
ARG A 752
LEU A 873
THR A 877
MET A 895
 None
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.9A)
BHM  A   1 (-4.3A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
BHM  A   1 (-3.0A)
None
 0.53A 2ylpA-2ax9A:
40.5		 2ylpA-2ax9A:
100.00
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) 		5 LEU A 704
ASN A 705
LEU A 873
THR A 877
MET A 895
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 (-4.4A)
BHM  A   1 (-3.0A)
None
 1.42A 2ylpA-2ax9A:
40.5		 2ylpA-2ax9A:
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		5 LEU A  35
LEU A 157
GLN A 176
LEU A 195
MET A 166
 None
 1.11A 2ylpA-2o2xA:
undetectable		 2ylpA-2o2xA:
21.51
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) 		8 LEU A  29
ASN A  33
LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
LEU A 201
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 4.2A)
 0.54A 2ylpA-2q3yA:
37.5		 2ylpA-2q3yA:
58.98
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) 		7 ASN A 719
LEU A 721
GLN A 725
MET A 756
MET A 759
ARG A 766
LEU A 887
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.0A)
 0.86A 2ylpA-3kbaA:
35.5		 2ylpA-3kbaA:
53.91
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) 		5 LEU A 714
LEU A 721
GLN A 725
MET A 759
ARG A 766
 None
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-3.8A)
 1.03A 2ylpA-3kbaA:
35.5		 2ylpA-3kbaA:
53.91
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 LEU A 715
ASN A 719
LEU A 721
MET A 756
MET A 759
ARG A 766
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-3.8A)
 0.65A 2ylpA-3kbaA:
35.5		 2ylpA-3kbaA:
53.91
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) 		5 LEU A 715
ASN A 719
LEU A 721
MET A 756
MET A 909
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
None
 1.16A 2ylpA-3kbaA:
35.5		 2ylpA-3kbaA:
53.91
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) 		8 LEU A  29
ASN A  33
LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
LEU A 201
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 (-3.5A)
1CA  A 249 ( 4.2A)
 0.64A 2ylpA-3ry9A:
36.9		 2ylpA-3ry9A:
53.91
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.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 242
ASN A 241
MET A 163
THR A 244
MET A 308
 None
None
None
ACY  A 401 ( 4.5A)
None
 1.42A 2ylpA-3u37A:
undetectable		 2ylpA-3u37A:
21.11
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.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		5 GLN A 262
MET A 343
MET A 306
LEU A 316
THR A 319
 None
 1.36A 2ylpA-3vz0A:
undetectable		 2ylpA-3vz0A:
19.01
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.
4gnk 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 LEU B 315
LEU B 313
ARG B 809
LEU B 699
THR B 317
 None
 1.25A 2ylpA-4gnkB:
undetectable		 2ylpA-4gnkB:
11.26
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) 		7 ASN A 564
LEU A 566
GLN A 570
MET A 601
MET A 604
ARG A 611
LEU A 732
 MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
None
MOF  A 801 (-4.2A)
MOF  A 801 ( 4.2A)
 0.88A 2ylpA-4p6wA:
33.4		 2ylpA-4p6wA:
49.61
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) 		7 LEU A 766
ASN A 770
LEU A 772
GLN A 776
MET A 807
ARG A 817
LEU A 938
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
 0.72A 2ylpA-4udbA:
34.0		 2ylpA-4udbA:
49.45
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.
5iki CYTOCHROME P450(MEG)

(Bacillus
megaterium) 		PF00067
(p450) 		5 LEU A 400
ASN A 254
LEU A 252
LEU A 260
MET A 284
 None
 1.28A 2ylpA-5ikiA:
2.3		 2ylpA-5ikiA:
20.34
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 7 LEU A 766
ASN A 770
LEU A 772
GLN A 776
MET A 807
ARG A 817
LEU A 938
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
 0.69A 2ylpA-5mwpA:
37.3		 2ylpA-5mwpA:
19.89
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
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.66A 2ylpA-5uc1A:
23.3		 2ylpA-5uc1A:
50.00
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
LEU A 562
GLN A 566
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
 0.63A 2ylpA-5uc1A:
23.3		 2ylpA-5uc1A:
50.00
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) 		6 ASN A  33
GLN A  39
MET A  70
MET A  73
ARG A  80
LEU A 201
 1TA  A 301 (-3.0A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.8A)
 0.82A 2ylpA-5ufsA:
35.5		 2ylpA-5ufsA:
54.09
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) 		6 ASN A  33
LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
 0.85A 2ylpA-5ufsA:
35.5		 2ylpA-5ufsA:
54.09
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.
6bbj TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL, SUBFAMILY
V, MEMBER 4

(Xenopus
tropicalis) 		no annotation 5 LEU A 695
LEU A 701
MET A 621
LEU A 669
THR A 673
 None
 1.42A 2ylpA-6bbjA:
undetectable		 2ylpA-6bbjA:
17.13
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.
6c8g TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL, SUBFAMILY
V, MEMBER 4

(Xenopus
tropicalis) 		no annotation 5 LEU A 695
LEU A 701
MET A 621
LEU A 669
THR A 673
 None
 1.43A 2ylpA-6c8gA:
undetectable		 2ylpA-6c8gA:
16.02