SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4cql'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		4 / 7 SER A 102
THR A 131
VAL A 134
ALA A 183
 None
 1.07A 1fo4B-4cqlA:
undetectable		 1fo4B-4cqlA:
11.86
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.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 7 ASP A 229
ASP A 235
VAL A 233
GLY A 257
ILE A 222
 None
 1.02A 1t7iB-4cqlA:
undetectable		 1t7iB-4cqlA:
17.42
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.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 7 ASP A 229
ASP A 235
VAL A 233
GLY A 257
ILE A 222
 None
 1.02A 1t7jB-4cqlA:
undetectable		 1t7jB-4cqlA:
17.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		7 / 11 GLY A  18
ASP A  42
LEU A  43
ASP A  75
VAL A  76
ALA A 104
VAL A 126
 NAD  A 301 (-3.6A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.0A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 ( 3.7A)
NAD  A 301 (-3.8A)
 0.53A 1uayA-4cqlA:
31.4		 1uayA-4cqlA:
36.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		7 / 11 GLY A  18
SER A  21
ASP A  42
LEU A  43
ASP A  75
VAL A  76
VAL A 126
 NAD  A 301 (-3.6A)
NAD  A 301 (-3.1A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.0A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 (-3.8A)
 0.69A 1uayA-4cqlA:
31.4		 1uayA-4cqlA:
36.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		7 / 10 GLY A  18
ASP A  42
LEU A  43
ASP A  75
VAL A  76
ALA A 104
VAL A 126
 NAD  A 301 (-3.6A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.0A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 ( 3.7A)
NAD  A 301 (-3.8A)
 0.57A 1uayB-4cqlA:
31.5		 1uayB-4cqlA:
36.40
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 12 GLY A  18
GLY A  20
LEU A  43
ASP A  75
VAL A  76
 NAD  A 301 (-3.6A)
NAD  A 301 ( 3.9A)
NAD  A 301 (-4.0A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
 0.81A 1zq9B-4cqlA:
5.9		 1zq9B-4cqlA:
23.61
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.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		4 / 5 ALA A  19
ALA A  32
ALA A  36
VAL A  99
 None
 0.94A 2nyrB-4cqlA:
5.0		 2nyrB-4cqlA:
26.00
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		4 / 8 ILE A 154
ASN A 127
SER A 172
SER A 156
 NAD  A 301 (-4.6A)
None
None
NAD  A 301 (-3.1A)
 1.00A 2zw9B-4cqlA:
5.4		 2zw9B-4cqlA:
17.00
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 12 TYR A 169
ILE A 202
GLY A 200
ILE A 222
GLY A 228
 None
NAD  A 301 (-3.9A)
None
None
None
 1.02A 3bwcA-4cqlA:
5.8		 3bwcA-4cqlA:
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.
3DEU_A_SALA305_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 7 THR A 131
VAL A 134
THR A 135
ILE A 151
SER A 196
 None
 1.42A 3deuA-4cqlA:
undetectable		 3deuA-4cqlA:
20.37
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 12 GLY A  18
GLY A  20
ASP A  75
VAL A  76
VAL A 126
 NAD  A 301 (-3.6A)
NAD  A 301 ( 3.9A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 (-3.8A)
 0.93A 3dmfA-4cqlA:
7.2		 3dmfA-4cqlA:
23.54
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 12 ALA A  48
ALA A  47
GLN A  49
ALA A  71
VAL A 126
 None
None
None
None
NAD  A 301 (-3.8A)
 1.08A 3e00A-4cqlA:
undetectable		 3e00A-4cqlA:
20.09
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.
3EKV_A_478A200_2
(PROTEASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 9 ASP A 229
ASP A 235
VAL A 233
GLY A 257
ILE A 222
 None
 1.03A 3ekvB-4cqlA:
undetectable		 3ekvB-4cqlA:
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.
3NU9_A_478A401_1
(PROTEASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 8 ASP A 229
ASP A 235
VAL A 233
GLY A 257
ILE A 222
 None
 1.02A 3nu9A-4cqlA:
undetectable		 3nu9A-4cqlA:
16.35
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.
3OU7_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		3 / 3 GLY A  20
ASP A  42
ASP A  75
 NAD  A 301 ( 3.9A)
NAD  A 301 (-2.4A)
NAD  A 301 (-3.4A)
 0.44A 3ou7C-4cqlA:
5.3		 3ou7C-4cqlA:
23.10
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.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 12 ILE A  23
GLY A  20
SER A  21
ASP A  44
LEU A  85
 NAD  A 301 (-3.7A)
NAD  A 301 ( 3.9A)
NAD  A 301 (-3.1A)
None
None
 1.20A 3v8vA-4cqlA:
6.9		 3v8vA-4cqlA:
15.69
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.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 11 GLY A  20
ASP A  42
ASP A  44
ASP A  75
VAL A  76
 NAD  A 301 ( 3.9A)
NAD  A 301 (-2.4A)
None
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
 0.86A 3v8vB-4cqlA:
6.2		 3v8vB-4cqlA:
15.69
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.
4HXY_B_ACAB502_1
(PLM1)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		4 / 7 SER A 156
GLN A 166
TYR A 169
MET A 206
 NAD  A 301 (-3.1A)
None
None
NAD  A 301 (-3.7A)
 0.63A 4hxyB-4cqlA:
19.4		 4hxyB-4cqlA:
24.27
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		4 / 8 PRO A 199
VAL A 233
VAL A 158
GLY A 159
 None
 0.82A 4mk4A-4cqlA:
3.7		 4mk4A-4cqlA:
23.74
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.
4NQA_H_9CRH501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 12 ALA A  48
ALA A  47
GLN A  49
ALA A  71
ILE A 106
 None
None
None
None
NAD  A 301 (-4.4A)
 1.13A 4nqaH-4cqlA:
undetectable		 4nqaH-4cqlA:
20.66
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 12 ALA A 184
GLY A 250
SER A 196
ILE A 192
GLY A 188
 None
 1.26A 4obwA-4cqlA:
7.3		 4obwA-4cqlA:
20.50
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.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 10 ASP A 229
ASP A 235
VAL A 233
GLY A 257
ILE A 222
 None
 0.96A 4q1wB-4cqlA:
undetectable		 4q1wB-4cqlA:
17.05
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.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		4 / 6 ALA A 139
GLN A 140
LEU A 142
LEU A  86
 None
 1.09A 4xoyA-4cqlA:
undetectable		 4xoyA-4cqlA:
21.20
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens) 		5 / 12 ALA A  40
GLY A 105
SER A  21
GLY A  24
VAL A  76
 None
NAD  A 301 (-3.5A)
NAD  A 301 (-3.1A)
None
NAD  A 301 (-3.6A)
 1.20A 5i75A-4cqlA:
undetectable		 5i75A-4cqlA:
18.35