SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qdd'

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.
2RHM_B_BEZB194_0
(PUTATIVE KINASE)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 5 PRO A 320
ILE A 321
ARG A 176
ASP A 322
 None
 1.49A 2rhmB-4qddA:
undetectable		 2rhmB-4qddA:
20.72
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.
2RHM_D_BEZD194_0
(PUTATIVE KINASE)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 5 PRO A 320
ILE A 321
ARG A 176
ASP A 322
 None
 1.50A 2rhmD-4qddA:
undetectable		 2rhmD-4qddA:
20.72
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.
3ETE_A_H3PA552_1
(GLUTAMATE
DEHYDROGENASE)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 6 ILE A 178
TYR A 278
ILE A 170
HIS A 174
 None
 1.20A 3eteA-4qddA:
undetectable
3eteE-4qddA:
undetectable		 3eteA-4qddA:
22.10
3eteE-4qddA:
22.10
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.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 5 ILE A 178
TYR A 278
ILE A 170
HIS A 174
 None
 1.19A 3eteB-4qddA:
undetectable
3eteC-4qddA:
undetectable		 3eteB-4qddA:
22.10
3eteC-4qddA:
22.10
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.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 8 TRP A 135
HIS A  33
PHE A 343
PRO A 144
 None
 1.49A 3v35A-4qddA:
undetectable		 3v35A-4qddA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		8 / 12 ASN A 181
VAL A 182
GLN A 210
LEU A 233
ALA A 237
MET A 245
LEU A 262
ASN A 264
 FE2  A 402 (-4.2A)
30Q  A 403 (-3.5A)
30Q  A 403 (-3.6A)
None
30Q  A 403 ( 3.7A)
30Q  A 403 ( 3.8A)
None
None
 0.57A 4qckA-4qddA:
44.1		 4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		8 / 12 ASN A 181
VAL A 182
HIS A 192
GLN A 210
ALA A 237
MET A 245
LEU A 262
ASN A 264
 FE2  A 402 (-4.2A)
30Q  A 403 (-3.5A)
FE2  A 402 ( 3.5A)
30Q  A 403 (-3.6A)
30Q  A 403 ( 3.7A)
30Q  A 403 ( 3.8A)
None
None
 0.63A 4qckA-4qddA:
44.1		 4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		7 / 12 ASN A 181
VAL A 182
HIS A 192
GLN A 210
MET A 245
ASN A 264
GLY A 307
 FE2  A 402 (-4.2A)
30Q  A 403 (-3.5A)
FE2  A 402 ( 3.5A)
30Q  A 403 (-3.6A)
30Q  A 403 ( 3.8A)
None
None
 1.00A 4qckA-4qddA:
44.1		 4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 ASN A 181
VAL A 182
HIS A 192
GLY A 307
ASP A 311
 FE2  A 402 (-4.2A)
30Q  A 403 (-3.5A)
FE2  A 402 ( 3.5A)
None
FE2  A 402 (-2.3A)
 0.99A 4qckA-4qddA:
44.1		 4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 HIS A 187
GLN A 210
ALA A 237
MET A 245
ASN A 264
 FE2  A 402 (-3.5A)
30Q  A 403 (-3.6A)
30Q  A 403 ( 3.7A)
30Q  A 403 ( 3.8A)
None
 1.13A 4qckA-4qddA:
44.1		 4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QDC_A_ASDA404_1
(3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 HIS A 187
MET A 212
SER A 235
ALA A 237
MET A 245
 FE2  A 402 (-3.5A)
None
30Q  A 403 (-3.6A)
30Q  A 403 ( 3.7A)
30Q  A 403 ( 3.8A)
 1.02A 4qdcA-4qddA:
50.5		 4qdcA-4qddA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QDC_A_ASDA404_1
(3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		12 / 12 VAL A 182
HIS A 192
GLN A 210
MET A 212
LEU A 233
SER A 235
ALA A 237
MET A 245
ASP A 247
LEU A 262
ASN A 264
PHE A 300
 30Q  A 403 (-3.5A)
FE2  A 402 ( 3.5A)
30Q  A 403 (-3.6A)
None
None
30Q  A 403 (-3.6A)
30Q  A 403 ( 3.7A)
30Q  A 403 ( 3.8A)
30Q  A 403 (-3.7A)
None
None
30Q  A 403 (-3.6A)
 0.54A 4qdcA-4qddA:
50.5		 4qdcA-4qddA:
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.
4XP6_A_B40A601_1
(TRANSPORTER)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 5 ASP A 247
VAL A 304
PHE A 300
GLY A 279
 30Q  A 403 (-3.7A)
30Q  A 403 ( 3.9A)
30Q  A 403 (-3.6A)
None
 1.21A 4xp6A-4qddA:
undetectable		 4xp6A-4qddA:
20.60
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.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		3 / 3 TYR A 239
SER A 243
TRP A 339
 None
 1.02A 5n8jB-4qddA:
undetectable		 5n8jB-4qddA:
19.12
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.
5N8J_O_DVAO7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		3 / 3 TYR A 239
SER A 243
TRP A 339
 None
 1.05A 5n8jA-4qddA:
undetectable		 5n8jA-4qddA:
19.12
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.
5N8J_P_DVAP5_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		3 / 3 TYR A 239
SER A 243
TRP A 339
 None
 1.06A 5n8jD-4qddA:
1.7		 5n8jD-4qddA:
19.12
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.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		3 / 3 ILE A 170
ASN A 264
CYH A  34
 None
 0.93A 6bp4A-4qddA:
undetectable		 6bp4A-4qddA:
21.67