SIMILAR PATTERNS OF AMINO ACIDS FOR 2YLQ_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)
 1.02A 2ylqA-2ax9A:
40.4		 2ylqA-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
VAL A 746
MET A 749
ARG A 752
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 (-3.6A)
BHM  A   1 (-4.3A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.0A)
None
 0.56A 2ylqA-2ax9A:
40.4		 2ylqA-2ax9A:
100.00
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) 		7 LEU A  29
ASN A  33
LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
 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)
 0.46A 2ylqA-2q3yA:
37.6		 2ylqA-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
VAL A 760
ARG A 766
 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 (-4.1A)
WOW  A   1 (-3.8A)
 0.73A 2ylqA-3kbaA:
35.5		 2ylqA-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 2ylqA-3kbaA:
35.5		 2ylqA-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
MET A 909
 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)
None
 1.13A 2ylqA-3kbaA:
35.5		 2ylqA-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) 		7 LEU A 715
ASN A 719
LEU A 721
MET A 756
MET A 759
VAL A 760
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 (-4.1A)
WOW  A   1 (-3.8A)
 0.68A 2ylqA-3kbaA:
35.5		 2ylqA-3kbaA:
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.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		5 LEU A  49
ASN A 386
LEU A  72
VAL A 382
MET A 381
 None
 1.11A 2ylqA-3qz1A:
2.7		 2ylqA-3qz1A:
19.13
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) 		7 LEU A  29
ASN A  33
LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
 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)
 0.56A 2ylqA-3ry9A:
37.0		 2ylqA-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
 1.41A 2ylqA-3u37A:
undetectable		 2ylqA-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.
4nzp ARGININOSUCCINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00764
(Arginosuc_synth) 		5 LEU A 247
ASN A 251
LEU A 253
VAL A 354
THR A 280
 None
 1.43A 2ylqA-4nzpA:
undetectable		 2ylqA-4nzpA:
20.83
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) 		6 ASN A 564
LEU A 566
GLN A 570
MET A 601
MET A 604
ARG A 611
 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)
 0.83A 2ylqA-4p6wA:
33.4		 2ylqA-4p6wA:
49.61
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.
4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE

(Psychrobacter
sp. B6) 		PF00155
(Aminotran_1_2) 		5 LEU A  31
LEU A 353
GLN A 357
VAL A 393
ARG A 336
 None
 1.49A 2ylqA-4rkcA:
undetectable		 2ylqA-4rkcA:
20.05
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) 		6 LEU A 766
ASN A 770
LEU A 772
GLN A 776
MET A 807
ARG A 817
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
 0.70A 2ylqA-4udbA:
34.0		 2ylqA-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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 6 LEU A 766
ASN A 770
LEU A 772
GLN A 776
MET A 807
ARG A 817
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
 0.65A 2ylqA-5mwpA:
37.2		 2ylqA-5mwpA:
19.89
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.
5ob5 C-X-C MOTIF
CHEMOKINE 2

(Homo sapiens) 		no annotation 5 LEU A  44
ASN A  22
LEU A  20
MET A  58
VAL A  59
 None
 1.42A 2ylqA-5ob5A:
undetectable		 2ylqA-5ob5A:
15.38
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)
 0.65A 2ylqA-5uc1A:
23.3		 2ylqA-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 2ylqA-5uc1A:
23.3		 2ylqA-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
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)
 0.84A 2ylqA-5ufsA:
35.5		 2ylqA-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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 LEU A 357
LEU A 346
MET A 286
VAL A 287
THR A 334
 None
 1.28A 2ylqA-6eu6A:
undetectable		 2ylqA-6eu6A:
14.90