SIMILAR PATTERNS OF AMINO ACIDS FOR 4P6X_C_HCYC900_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 ASN A 705
LEU A 707
GLN A 711
MET A 742
ARG A 752
 BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
 0.75A 4p6xC-2ax9A:
32.5		 4p6xC-2ax9A:
49.22
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 ASN A 705
LEU A 707
GLN A 711
MET A 745
ARG A 752
 BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 (-3.9A)
BHM  A   1 (-3.8A)
 1.02A 4p6xC-2ax9A:
32.5		 4p6xC-2ax9A:
49.22
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 ASN A  33
LEU A  35
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
THR A 208
 1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.4A)
 0.71A 4p6xC-2q3yA:
36.3		 4p6xC-2q3yA:
63.67
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 ASN A 719
LEU A 721
MET A 756
ARG A 766
THR A 894
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-3.9A)
 0.73A 4p6xC-3kbaA:
34.8		 4p6xC-3kbaA:
54.30
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 ASN A  33
LEU A  35
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
THR A 208
 1CA  A 249 (-3.0A)
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.2A)
 0.58A 4p6xC-3ry9A:
36.6		 4p6xC-3ry9A:
71.88
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) 		10 MET A 560
ASN A 564
LEU A 566
GLN A 570
TRP A 600
MET A 601
MET A 604
ARG A 611
THR A 739
ILE A 747
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
None
MOF  A 801 (-4.2A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
 0.41A 4p6xC-4p6wA:
40.4		 4p6xC-4p6wA:
98.41
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 ASN A 770
LEU A 772
GLN A 776
TRP A 806
MET A 807
ARG A 817
THR A 945
 CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 (-3.1A)
 0.39A 4p6xC-4udbA:
34.9		 4p6xC-4udbA:
54.04
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		5 MET A 171
LEU A 294
MET A 324
GLN A 163
THR A 144
 None
 1.40A 4p6xC-4uwqA:
undetectable		 4p6xC-4uwqA:
19.40
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 ASN A 770
LEU A 772
GLN A 776
TRP A 806
MET A 807
ARG A 817
THR A 945
 ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 0.41A 4p6xC-5mwpA:
35.3		 4p6xC-5mwpA:
45.00
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) 		5 MET A 295
LEU A 301
TRP A 335
MET A 336
ARG A 346
 EST  A 601 ( 4.4A)
EST  A 601 ( 4.3A)
None
EST  A 601 ( 3.7A)
EST  A 601 (-4.1A)
 0.75A 4p6xC-5toaA:
25.6		 4p6xC-5toaA:
30.11
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
LEU A 562
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.88A 4p6xC-5uc1A:
26.6		 4p6xC-5uc1A:
96.15
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 LEU A 562
GLN A 566
TRP A 596
MET A 597
MET A 600
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.92A 4p6xC-5uc1A:
26.6		 4p6xC-5uc1A:
96.15
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 MET A 556
ASN A 560
LEU A 562
GLN A 566
MET A 600
ARG A 607
GLN A 638
 None
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.78A 4p6xC-5uc1A:
26.6		 4p6xC-5uc1A:
96.15
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 MET A  29
ASN A  33
LEU A  35
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
THR A 208
 1TA  A 301 ( 2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
 0.33A 4p6xC-5ufsA:
38.9		 4p6xC-5ufsA:
76.77
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 TRP A  69
MET A  70
MET A  73
ARG A  80
GLN A 111
 None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
None
 1.04A 4p6xC-5ufsA:
38.9		 4p6xC-5ufsA:
76.77