SIMILAR PATTERNS OF AMINO ACIDS FOR 4HLW_A_TESA1001_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.
1jdi L-RIBULOSE 5
PHOSPHATE
4-EPIMERASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		5 LEU A 167
GLY A 108
GLN A 109
ARG A 201
THR A 152
 None
 1.35A 4hlwA-1jdiA:
undetectable		 4hlwA-1jdiA:
19.93
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
TRP A 361
MET A 362
VAL A 366
ARG A 372
 None
 0.63A 4hlwA-1xb7A:
26.6		 4hlwA-1xb7A:
23.90
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) 		11 LEU A 704
ASN A 705
GLY A 708
GLN A 711
MET A 742
MET A 745
VAL A 746
MET A 749
ARG A 752
THR A 877
MET A 895
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
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
 0.57A 4hlwA-2ax9A:
40.8		 4hlwA-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) 		7 LEU A 704
ASN A 705
TRP A 741
MET A 742
VAL A 746
THR A 877
MET A 895
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
None
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 (-3.0A)
None
 1.08A 4hlwA-2ax9A:
40.8		 4hlwA-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.
2gwc GLUTAMATE CYSTEINE
LIGASE

(Brassica juncea) 		PF04107
(GCS2) 		5 LEU A 407
GLY A 264
GLN A 268
MET A 386
VAL A 247
 None
 1.18A 4hlwA-2gwcA:
undetectable		 4hlwA-2gwcA:
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.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		5 ASN A 177
GLY A 162
MET A 234
ARG A 262
THR A 165
 None
 1.41A 4hlwA-2j6lA:
undetectable		 4hlwA-2j6lA:
19.02
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  32
ASN A  33
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
 1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.8A)
 0.42A 4hlwA-2q3yA:
37.4		 4hlwA-2q3yA:
58.98
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.
2zsc TAMAVIDIN2

(Pleurotus
cornucopiae) 		PF01382
(Avidin) 		5 LEU A  30
ASN A  25
GLY A  28
VAL A  61
THR A   9
 None
None
None
GOL  A1810 (-4.5A)
None
 1.49A 4hlwA-2zscA:
undetectable		 4hlwA-2zscA:
19.46
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 718
ASN A 719
GLY A 722
GLN A 725
MET A 756
MET A 759
VAL A 760
ARG A 766
 WOW  A   1 (-4.2A)
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)
 0.72A 4hlwA-3kbaA:
35.1		 4hlwA-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 718
ASN A 719
GLY A 722
MET A 756
MET A 759
MET A 909
 WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
None
 1.11A 4hlwA-3kbaA:
35.1		 4hlwA-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) 		5 ASN A  33
GLY A  37
GLN A  39
TRP A  69
ARG A  80
 1CA  A 249 (-3.0A)
None
1CA  A 249 (-3.0A)
None
1CA  A 249 (-3.5A)
 1.38A 4hlwA-3ry9A:
36.7		 4hlwA-3ry9A:
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  32
ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
 1CA  A 249 (-3.9A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 (-3.5A)
 0.61A 4hlwA-3ry9A:
36.7		 4hlwA-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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 LEU B 154
ASN B 155
GLY B 158
GLN B 161
VAL B 225
 None
 1.12A 4hlwA-3ze7B:
undetectable		 4hlwA-3ze7B:
20.13
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
GLY A 568
GLN A 570
TRP A 600
MET A 601
MET A 604
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
None
 1.37A 4hlwA-4p6wA:
33.3		 4hlwA-4p6wA:
49.61
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 LEU A 563
ASN A 564
GLY A 567
GLN A 570
TRP A 600
MET A 601
MET A 604
ARG A 611
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
None
MOF  A 801 (-4.2A)
 0.87A 4hlwA-4p6wA:
33.3		 4hlwA-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.
4rae HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 ASN A 176
GLY A 179
GLN A 180
VAL A 182
ARG A 146
 None
 1.37A 4hlwA-4raeA:
undetectable		 4hlwA-4raeA:
20.30
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 769
ASN A 770
GLN A 776
TRP A 806
MET A 807
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
 0.75A 4hlwA-4udbA:
33.7		 4hlwA-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.
4yla AROMATIC
PRENYLTRANSFERASE

(Marinactinospora
thermotolerans) 		PF11991
(Trp_DMAT) 		5 LEU A 206
GLY A 205
GLN A 204
VAL A 199
MET A 194
 None
 1.29A 4hlwA-4ylaA:
undetectable		 4hlwA-4ylaA:
18.16
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.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		5 LEU A 109
MET A 157
MET A 146
THR A 114
MET A 166
 None
None
KCX  A 104 ( 4.6A)
None
None
 1.17A 4hlwA-5ctmA:
undetectable		 4hlwA-5ctmA:
21.85
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 LEU A 355
GLY A 353
VAL A 337
THR A  40
MET A 313
 None
 1.49A 4hlwA-5g0qA:
undetectable		 4hlwA-5g0qA:
20.13
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.
5l3q SIGNAL RECOGNITION
PARTICLE RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU B 442
ASN B 445
GLY B 446
MET B 486
VAL B 487
 None
 1.18A 4hlwA-5l3qB:
undetectable		 4hlwA-5l3qB:
16.86
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 ASN A 770
GLY A 774
GLN A 776
TRP A 806
ARG A 817
 ECV  A1101 (-3.1A)
None
ECV  A1101 (-2.9A)
None
ECV  A1101 (-4.0A)
 1.50A 4hlwA-5mwpA:
37.3		 4hlwA-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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 6 LEU A 769
ASN A 770
GLN A 776
TRP A 806
MET A 807
ARG A 817
 ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
 0.66A 4hlwA-5mwpA:
37.3		 4hlwA-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 GLN A 566
TRP A 596
MET A 597
MET A 600
ARG A 607
 486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.69A 4hlwA-5uc1A:
23.1		 4hlwA-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 7 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.79A 4hlwA-5uc1A:
23.1		 4hlwA-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
GLY A  37
GLN A  39
TRP A  69
MET A  70
MET A  73
 1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
 1.36A 4hlwA-5ufsA:
35.2		 4hlwA-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) 		8 LEU A  32
ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
 1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
 0.83A 4hlwA-5ufsA:
35.2		 4hlwA-5ufsA:
54.09