SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qdf'

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.
2ZBU_D_ADND504_1
(UNCHARACTERIZED
CONSERVED PROTEIN)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		3 / 3 PHE B 354
ASN B 195
PHE B 193
 None
 1.05A 2zbuD-4qdfB:
undetectable		 2zbuD-4qdfB:
21.78
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.
3V3O_D_T1CD401_1
(TETX2 PROTEIN)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		5 / 10 ASP B 305
HIS B 181
PHE B 297
GLY B 295
MET B 224
 FE2  B 401 ( 2.1A)
FE2  B 401 (-3.4A)
30Q  B 403 ( 4.7A)
None
None
 1.12A 3v3oD-4qdfB:
undetectable		 3v3oD-4qdfB:
22.53
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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 ASN B 258
GLN B 204
ASN B 195
LEU B 330
ILE B 173
 30Q  B 403 ( 4.7A)
30Q  B 403 (-4.0A)
None
None
None
 1.24A 4kukA-4qdfB:
undetectable		 4kukA-4qdfB:
15.62
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.
4O7G_B_ASCB304_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 6 PHE B 268
HIS B 260
ILE B 172
TYR B 233
 None
 1.49A 4o7gB-4qdfB:
undetectable		 4o7gB-4qdfB:
17.57
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)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		9 / 12 ASN B 175
HIS B 186
GLN B 204
ALA B 231
MET B 239
LEU B 256
ASN B 258
GLY B 301
ASP B 305
 FE2  B 401 (-4.9A)
FE2  B 401 ( 3.5A)
30Q  B 403 (-4.0A)
30Q  B 403 ( 3.7A)
30Q  B 403 (-3.6A)
None
30Q  B 403 ( 4.7A)
30Q  B 403 ( 4.3A)
FE2  B 401 ( 2.1A)
 0.33A 4qckA-4qdfB:
48.2		 4qckA-4qdfB:
58.31
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)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		6 / 12 ASN B 175
HIS B 186
GLN B 204
LEU B 243
GLY B 301
ASP B 305
 FE2  B 401 (-4.9A)
FE2  B 401 ( 3.5A)
30Q  B 403 (-4.0A)
30Q  B 403 (-4.8A)
30Q  B 403 ( 4.3A)
FE2  B 401 ( 2.1A)
 1.26A 4qckA-4qdfB:
48.2		 4qckA-4qdfB:
58.31
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)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 HIS B 181
MET B 206
SER B 229
ALA B 231
MET B 239
 FE2  B 401 (-3.4A)
30Q  B 403 ( 4.6A)
30Q  B 403 (-3.4A)
30Q  B 403 ( 3.7A)
30Q  B 403 (-3.6A)
 1.32A 4qdcA-4qdfB:
45.0		 4qdcA-4qdfB:
62.75
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)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 HIS B 186
GLN B 204
ALA B 231
ASP B 241
LEU B 243
 FE2  B 401 ( 3.5A)
30Q  B 403 (-4.0A)
30Q  B 403 ( 3.7A)
30Q  B 403 (-3.5A)
30Q  B 403 (-4.8A)
 1.38A 4qdcA-4qdfB:
45.0		 4qdcA-4qdfB:
62.75
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)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		9 / 12 HIS B 186
GLN B 204
MET B 206
SER B 229
ALA B 231
MET B 239
ASP B 241
LEU B 256
ASN B 258
 FE2  B 401 ( 3.5A)
30Q  B 403 (-4.0A)
30Q  B 403 ( 4.6A)
30Q  B 403 (-3.4A)
30Q  B 403 ( 3.7A)
30Q  B 403 (-3.6A)
30Q  B 403 (-3.5A)
None
30Q  B 403 ( 4.7A)
 0.85A 4qdcA-4qdfB:
45.0		 4qdcA-4qdfB:
62.75
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 8 HIS B  70
GLY B  73
GLY B  72
HIS B  90
 FES  B 402 (-3.0A)
FES  B 402 (-4.0A)
FES  B 402 ( 4.7A)
FES  B 402 (-3.1A)
 0.77A 5f8yA-4qdfB:
undetectable		 5f8yA-4qdfB:
17.26
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.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 8 HIS B  70
GLY B  73
GLY B  72
HIS B  90
 FES  B 402 (-3.0A)
FES  B 402 (-4.0A)
FES  B 402 ( 4.7A)
FES  B 402 (-3.1A)
 0.74A 5f8yB-4qdfB:
undetectable		 5f8yB-4qdfB:
17.26
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.
5OAJ_E_TKTE601_1
()		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 8 GLU B 335
CYH B 169
TYR B 334
PHE B  23
 None
None
None
PO4  B 404 (-4.8A)
 1.48A 5oajD-4qdfB:
undetectable
5oajE-4qdfB:
undetectable		 5oajD-4qdfB:
18.81
5oajE-4qdfB:
18.81
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.
5QJQ_C_K1SC305_0
(ADP-SUGAR
PYROPHOSPHATASE)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 5 TRP B 160
TRP B 158
VAL B 159
LEU B 256
 None
 1.40A 5qjqC-4qdfB:
0.7
5qjqD-4qdfB:
0.0		 5qjqC-4qdfB:
18.02
5qjqD-4qdfB:
18.02
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.
6GP2_B_DAHB126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		5 / 11 GLY B 149
ILE B 275
PHE B 238
ILE B 257
ILE B 240
 None
 1.05A 6gp2B-4qdfB:
undetectable		 6gp2B-4qdfB:
11.60
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.
6N91_A_DCFA401_1
(ADENOSINE DEAMINASE)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 4 HIS B 181
LEU B 243
TYR B 245
GLY B 301
 FE2  B 401 (-3.4A)
30Q  B 403 (-4.8A)
30Q  B 403 (-4.3A)
30Q  B 403 ( 4.3A)
 1.24A 6n91A-4qdfB:
undetectable		 6n91A-4qdfB:
11.66
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.
6N91_B_DCFB401_1
(ADENOSINE DEAMINASE)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 4 HIS B 181
LEU B 243
TYR B 245
GLY B 301
 FE2  B 401 (-3.4A)
30Q  B 403 (-4.8A)
30Q  B 403 (-4.3A)
30Q  B 403 ( 4.3A)
 1.23A 6n91B-4qdfB:
undetectable		 6n91B-4qdfB:
11.66