SIMILAR PATTERNS OF AMINO ACIDS FOR 4P6X_K_HCYK900_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.
1m1l SUPPRESSOR OF FUSED

(Homo sapiens) 		PF05076
(SUFU) 		5 MET A 177
GLY A 158
GLN A 217
ARG A 224
PHE A 155
 None
 1.48A 4p6xK-1m1lA:
undetectable		 4p6xK-1m1lA:
19.20
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 ASN A 213
GLN A 188
THR A  35
ILE A 109
PHE A 192
 None
 1.13A 4p6xK-1rj6A:
undetectable		 4p6xK-1rj6A:
25.00
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.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 GLY B 234
GLN B 200
GLN B 210
ILE B 367
PHE B 239
 None
 1.15A 4p6xK-1wdwB:
undetectable		 4p6xK-1wdwB:
20.95
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.
1yir NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Pseudomonas
aeruginosa) 		PF04095
(NAPRTase) 		5 GLY A 222
TRP A 250
ARG A 181
ILE A  81
PHE A  83
 None
None
SO4  A2001 (-3.5A)
None
None
 1.50A 4p6xK-1yirA:
undetectable		 4p6xK-1yirA:
20.29
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) 		6 ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
PHE A 891
 BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
None
 0.84A 4p6xK-2ax9A:
32.5		 4p6xK-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 GLN A 711
MET A 742
ARG A 752
GLN A 783
MET A 787
 BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
None
BHM  A   1 (-3.6A)
 1.24A 4p6xK-2ax9A:
32.5		 4p6xK-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 GLY A 708
GLN A 711
MET A 742
ARG A 752
MET A 787
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
 0.91A 4p6xK-2ax9A:
32.5		 4p6xK-2ax9A:
49.22
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.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Anabaena sp.) 		PF05996
(Fe_bilin_red) 		5 ASN A 208
GLY A 205
GLN A 206
ARG A  68
GLN A 215
 None
 1.34A 4p6xK-2g18A:
undetectable		 4p6xK-2g18A:
22.11
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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		5 GLY A 289
ARG A 183
THR A 108
ILE A 119
PHE A 292
 None
 1.26A 4p6xK-2hi1A:
undetectable		 4p6xK-2hi1A:
21.92
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 ASN A  33
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
PHE A 219
 1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
1CA  A 247 (-4.5A)
 0.76A 4p6xK-2q3yA:
36.4		 4p6xK-2q3yA:
63.67
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 ASN A  33
GLN A  39
TRP A  69
MET A  70
ARG A  80
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.52A 4p6xK-2q3yA:
36.4		 4p6xK-2q3yA:
63.67
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
GLY A  37
TRP A  69
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
None
None
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 1.04A 4p6xK-2q3yA:
36.4		 4p6xK-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) 		7 ASN A 719
GLY A 722
MET A 756
ARG A 766
MET A 801
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.74A 4p6xK-3kbaA:
34.9		 4p6xK-3kbaA:
54.30
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 ASN A 719
TRP A 755
MET A 756
MET A 801
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 1.18A 4p6xK-3kbaA:
34.9		 4p6xK-3kbaA:
54.30
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 GLY A 722
GLN A 725
MET A 756
ARG A 766
MET A 801
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
 0.92A 4p6xK-3kbaA:
34.9		 4p6xK-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) 		9 ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.78A 4p6xK-3ry9A:
36.6		 4p6xK-3ry9A:
71.88
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
TRP A  69
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
None
None
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.98A 4p6xK-3ry9A:
36.6		 4p6xK-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) 		7 ASN A 564
GLY A 568
TRP A 600
MET A 601
THR A 739
ILE A 747
PHE A 749
 MOF  A 801 (-3.0A)
None
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
MOF  A 801 (-4.4A)
 0.95A 4p6xK-4p6wA:
40.6		 4p6xK-4p6wA:
98.41
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) 		11 MET A 560
ASN A 564
GLY A 567
GLN A 570
TRP A 600
MET A 601
ARG A 611
MET A 646
THR A 739
ILE A 747
PHE A 749
 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)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
MOF  A 801 (-4.4A)
 0.41A 4p6xK-4p6wA:
40.6		 4p6xK-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) 		8 ASN A 770
GLN A 776
TRP A 806
MET A 807
ARG A 817
MET A 852
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.72A 4p6xK-4udbA:
34.8		 4p6xK-4udbA:
54.04
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) 		5 ASN A 770
GLY A 774
TRP A 806
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
None
None
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 1.12A 4p6xK-4udbA:
34.8		 4p6xK-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.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 GLY A 143
GLN A 144
GLN A 195
ILE A 171
PHE A 155
 None
 1.33A 4p6xK-5g2vA:
undetectable		 4p6xK-5g2vA:
21.00
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.
5kin TRYPTOPHAN SYNTHASE
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00291
(PALP) 		5 GLY B 244
GLN B 209
GLN B 219
ILE B 377
PHE B 249
 None
LLP  B  91 ( 4.6A)
None
None
None
 1.24A 4p6xK-5kinB:
undetectable		 4p6xK-5kinB:
19.37
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
GLN A 776
TRP A 806
MET A 807
ARG A 817
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.45A 4p6xK-5mwpA:
35.2		 4p6xK-5mwpA:
45.00
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 5 ASN A 770
GLY A 774
TRP A 806
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
None
None
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 1.04A 4p6xK-5mwpA:
35.2		 4p6xK-5mwpA:
45.00
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 5 GLN A 776
TRP A 806
MET A 807
ARG A 817
MET A 852
 ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
 1.29A 4p6xK-5mwpA:
35.2		 4p6xK-5mwpA:
45.00
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 GLY A 459
GLN A 412
THR A 408
ILE A 378
PHE A 456
 None
 1.37A 4p6xK-5u47A:
undetectable		 4p6xK-5u47A:
16.35
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
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.78A 4p6xK-5uc1A:
26.7		 4p6xK-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 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.81A 4p6xK-5uc1A:
26.7		 4p6xK-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 MET A 556
ASN A 560
GLY A 563
GLN A 566
ARG A 607
GLN A 638
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.54A 4p6xK-5uc1A:
26.7		 4p6xK-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 ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.47A 4p6xK-5ufsA:
38.8		 4p6xK-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) 		6 ASN A  33
GLY A  37
TRP A  69
MET A  70
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.90A 4p6xK-5ufsA:
38.8		 4p6xK-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) 		6 GLN A  39
TRP A  69
MET A  70
ARG A  80
GLN A 111
MET A 115
 1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
None
1TA  A 301 ( 2.8A)
 1.17A 4p6xK-5ufsA:
38.8		 4p6xK-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) 		9 MET A  29
ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
THR A 208
PHE A 218
 1TA  A 301 ( 2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.33A 4p6xK-5ufsA:
38.8		 4p6xK-5ufsA:
76.77
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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 5 MET A  78
GLY A  64
GLN A 255
THR A  20
ILE A  24
 ACP  A 500 (-4.6A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 3.9A)
None
 1.02A 4p6xK-6ci7A:
undetectable		 4p6xK-6ci7A:
12.55
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.
6e85 -

(-) 		no annotation 5 GLY A 288
ARG A 182
THR A 107
ILE A 118
PHE A 291
 None
 1.11A 4p6xK-6e85A:
undetectable		 4p6xK-6e85A:
undetectable