SIMILAR PATTERNS OF AMINO ACIDS FOR 2AB2_A_SNLA502_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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU C 115
ALA C 220
GLN C 222
ARG C 210
MET C 135
 None
 1.43A 2ab2A-1t3qC:
undetectable		 2ab2A-1t3qC:
22.12
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) 		9 LEU A 701
ASN A 705
GLN A 711
MET A 742
ARG A 752
PHE A 764
MET A 780
MET A 787
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 (-4.4A)
BHM  A   1 ( 4.3A)
BHM  A   1 (-3.6A)
None
 0.72A 2ab2A-2ax9A:
35.8		 2ab2A-2ax9A:
48.55
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) 		5 ASN A  33
PHE A  98
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
None
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 1.15A 2ab2A-2q3yA:
38.5		 2ab2A-2q3yA:
68.73
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) 		5 LEU A  28
GLN A  39
ARG A  80
PHE A  92
MET A 115
 None
1CA  A 247 (-3.1A)
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 3.7A)
 1.48A 2ab2A-2q3yA:
38.5		 2ab2A-2q3yA:
68.73
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) 		12 LEU A  29
ASN A  33
ALA A  36
GLN A  39
MET A  70
ARG A  80
PHE A  92
MET A 108
MET A 115
CYH A 205
THR A 208
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)
None
1CA  A 247 (-3.9A)
1CA  A 247 ( 3.7A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.38A 2ab2A-2q3yA:
38.5		 2ab2A-2q3yA:
68.73
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ALA A 361
GLN A 362
MET A 460
CYH A 431
THR A 435
 None
 1.36A 2ab2A-3a9sA:
undetectable		 2ab2A-3a9sA:
17.89
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 ASN A 719
GLN A 725
MET A 756
ARG A 766
MET A 801
CYH A 891
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.82A 2ab2A-3kbaA:
35.2		 2ab2A-3kbaA:
52.36
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) 		9 LEU A 715
ASN A 719
MET A 756
ARG A 766
PHE A 778
MET A 801
CYH A 891
THR A 894
PHE A 905
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
None
WOW  A   1 (-4.2A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.58A 2ab2A-3kbaA:
35.2		 2ab2A-3kbaA:
52.36
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) 		11 LEU A  29
ASN A  33
GLN A  39
MET A  70
ARG A  80
PHE A  92
MET A 108
MET A 115
CYH A 205
THR A 208
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)
None
1CA  A 249 (-3.6A)
1CA  A 249 (-3.6A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.33A 2ab2A-3ry9A:
37.8		 2ab2A-3ry9A:
65.93
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) 		6 LEU A  29
PHE A  98
MET A 108
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 ( 3.8A)
None
1CA  A 249 (-3.6A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 1.40A 2ab2A-3ry9A:
37.8		 2ab2A-3ry9A:
65.93
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.
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
 1.39A 2ab2A-4iqgC:
undetectable		 2ab2A-4iqgC:
20.94
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		7 LEU A 280
ALA A 287
MET A 321
ARG A 331
PHE A 342
MET A 358
PHE A 462
 None
 0.67A 2ab2A-4n1yA:
28.2		 2ab2A-4n1yA:
28.03
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) 		9 ASN A 564
GLN A 570
MET A 601
ARG A 611
PHE A 623
MET A 646
CYH A 736
THR A 739
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 (-4.7A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 0.72A 2ab2A-4p6wA:
34.4		 2ab2A-4p6wA:
56.15
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) 		11 LEU A 766
ASN A 770
ALA A 773
GLN A 776
MET A 807
ARG A 817
PHE A 829
MET A 852
CYH A 942
THR A 945
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 (-4.9A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.35A 2ab2A-4udbA:
36.6		 2ab2A-4udbA:
91.27
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
ARG A 817
PHE A 829
MET A 852
CYH A 942
 ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.9A)
ECV  A1101 (-3.7A)
ECV  A1101 (-4.0A)
 0.75A 2ab2A-5mwpA:
39.4		 2ab2A-5mwpA:
72.29
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
ARG A 817
PHE A 829
MET A 845
CYH A 942
THR A 945
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 (-4.0A)
ECV  A1101 ( 4.9A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.38A 2ab2A-5mwpA:
39.4		 2ab2A-5mwpA:
72.29
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.
5tr1 MONOCLONAL ANTIBODY,
FAB FRAGMENT, LIGHT
CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 LEU L 104
ALA L  74
ARG L  54
PHE L  62
THR L  13
 None
 1.40A 2ab2A-5tr1L:
undetectable		 2ab2A-5tr1L:
17.45
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
ARG A 607
PHE A 619
MET A 635
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 4.7A)
 1.28A 2ab2A-5uc1A:
23.2		 2ab2A-5uc1A:
53.12
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 6 ASN A 560
GLN A 566
MET A 597
ARG A 607
PHE A 619
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 (-4.7A)
486  A 801 ( 3.8A)
 0.82A 2ab2A-5uc1A:
23.2		 2ab2A-5uc1A:
53.12
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) 		7 ASN A  33
GLN A  39
ARG A  80
PHE A  92
MET A 108
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 (-3.0A)
1TA  A 301 (-3.5A)
1TA  A 301 (-4.4A)
1TA  A 301 ( 3.0A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.09A 2ab2A-5ufsA:
36.7		 2ab2A-5ufsA:
59.56
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) 		9 ASN A  33
GLN A  39
MET A  70
ARG A  80
PHE A  92
MET A 115
CYH A 205
THR A 208
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 (-4.4A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.53A 2ab2A-5ufsA:
36.7		 2ab2A-5ufsA:
59.56
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 LEU A  28
GLN A  39
ARG A  80
PHE A  92
MET A 115
 None
1TA  A 301 (-3.0A)
1TA  A 301 (-3.5A)
1TA  A 301 (-4.4A)
1TA  A 301 ( 2.8A)
 1.49A 2ab2A-5ufsA:
36.7		 2ab2A-5ufsA:
59.56
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.
6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN

(Homo sapiens) 		no annotation 5 LEU A 373
PHE A 365
MET A 385
MET A 396
CYH A 381
 None
 1.48A 2ab2A-6ei1A:
undetectable		 2ab2A-6ei1A:
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.
6gdt -

(-) 		no annotation 5 LEU A   2
ALA A  18
GLN A  17
PHE A 409
THR A  83
 None
 1.36A 2ab2A-6gdtA:
undetectable		 2ab2A-6gdtA:
undetectable