SIMILAR PATTERNS OF AMINO ACIDS FOR 3H52_B_486B1_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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  32
TRP A  69
MET A  70
MET A  73
LEU A 201
 1CA  A 247 (-4.0A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 4.2A)
 0.49A 3h52B-2q3yA:
28.1		 3h52B-2q3yA:
63.53
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  32
TRP A  69
MET A  70
MET A  73
LEU A 223
 1CA  A 247 (-4.0A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
None
 1.32A 3h52B-2q3yA:
28.1		 3h52B-2q3yA:
63.53
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  35
TRP A  69
MET A  70
MET A 222
LEU A 223
 1CA  A 247 ( 4.4A)
None
1CA  A 247 ( 3.8A)
None
None
 1.12A 3h52B-2q3yA:
28.1		 3h52B-2q3yA:
63.53
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 TRP A  69
MET A  70
MET A  73
MET A 222
LEU A 223
 None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
None
None
 1.21A 3h52B-2q3yA:
28.1		 3h52B-2q3yA:
63.53
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 ASN A1351
TRP A1500
GLN A1528
LEU A1527
TYR A1526
 None
 1.31A 3h52B-3k9bA:
0.0		 3h52B-3k9bA:
21.61
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 718
MET A 756
MET A 759
LEU A 887
TYR A 890
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.9A)
 0.60A 3h52B-3kbaA:
27.8		 3h52B-3kbaA:
53.33
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 LEU A  32
TRP A  69
MET A  70
MET A  73
LEU A 201
 1CA  A 249 (-3.9A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 ( 4.2A)
 0.70A 3h52B-3ry9A:
27.8		 3h52B-3ry9A:
70.98
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 LEU A  35
TRP A  69
MET A  70
MET A 222
LEU A 223
 1CA  A 249 ( 4.4A)
None
1CA  A 249 ( 3.8A)
None
None
 1.29A 3h52B-3ry9A:
27.8		 3h52B-3ry9A:
70.98
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) 		5 LEU A 563
TRP A 600
MET A 601
LEU A 732
TYR A 735
 MOF  A 801 (-3.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-4.8A)
 0.66A 3h52B-4p6wA:
29.3		 3h52B-4p6wA:
94.09
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) 		5 LEU A 563
TRP A 600
MET A 601
MET A 604
LEU A 732
 MOF  A 801 (-3.9A)
None
MOF  A 801 (-3.7A)
None
MOF  A 801 ( 4.2A)
 0.76A 3h52B-4p6wA:
29.3		 3h52B-4p6wA:
94.09
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) 		5 TRP A 600
MET A 601
GLN A 642
LEU A 732
TYR A 735
 None
MOF  A 801 (-3.7A)
None
MOF  A 801 ( 4.2A)
MOF  A 801 (-4.8A)
 1.23A 3h52B-4p6wA:
29.3		 3h52B-4p6wA:
94.09
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 LEU A 772
TRP A 806
MET A 807
MET A 959
LEU A 960
 CV7  A1987 ( 4.5A)
None
CV7  A1987 ( 3.9A)
None
None
 1.41A 3h52B-4udbA:
27.5		 3h52B-4udbA:
55.21
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.
5fcy RED CAROTENOID
PROTEIN (RCP)

(Nostoc sp. PCC
7120) 		PF09150
(Carot_N) 		5 TRP A 102
MET A 153
GLN A  73
LEU A  74
LEU A  27
 None
None
None
None
BCR  A 201 (-3.8A)
 1.21A 3h52B-5fcyA:
undetectable		 3h52B-5fcyA:
23.11
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 ASN A 333
TRP A 481
GLN A 509
LEU A 508
TYR A 507
 None
 1.33A 3h52B-5fv4A:
undetectable		 3h52B-5fv4A:
18.18
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.
5i3s INOSITOL
MONOPHOSPHATASE
FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		5 LEU A 240
ASN A 225
GLN A 222
LEU A 216
LEU A 231
 None
 1.24A 3h52B-5i3sA:
undetectable		 3h52B-5i3sA:
20.45
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ASN A 493
MET A 190
LEU A 482
TYR A 485
LEU A 490
 None
None
None
TFB  A2003 (-4.9A)
None
 1.46A 3h52B-5kf7A:
0.0		 3h52B-5kf7A:
12.34
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 LEU A 772
TRP A 806
MET A 807
MET A 959
LEU A 960
 ECV  A1101 ( 3.9A)
None
ECV  A1101 (-3.6A)
None
None
 1.22A 3h52B-5mwpA:
26.6		 3h52B-5mwpA:
53.73
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.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		5 LEU A 336
ASN A 334
MET A  60
MET A 501
LEU A 349
 None
 1.48A 3h52B-5tj3A:
undetectable		 3h52B-5tj3A:
18.13
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  32
TRP A  69
MET A  70
MET A  73
LEU A 201
 1TA  A 301 (-3.5A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 ( 3.8A)
 0.85A 3h52B-5ufsA:
29.3		 3h52B-5ufsA:
76.68
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  35
MET A  70
MET A  73
MET A 221
LEU A 222
 1TA  A 301 ( 3.6A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
None
None
 1.41A 3h52B-5ufsA:
29.3		 3h52B-5ufsA:
76.68
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.
5vew GLUCAGON-LIKE
PEPTIDE 1
RECEPTOR,ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 ASN A1132
TRP A1138
MET A1102
LEU A1099
LEU A1133
 None
 1.49A 3h52B-5vewA:
undetectable		 3h52B-5vewA:
18.10