SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ab4'

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.
1H4O_C_BEZC1162_0
(PEROXIREDOXIN 5)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 9 THR A  57
PRO A  70
GLY A  71
PHE A 167
GLY A  80
 None
 1.25A 1h4oC-4ab4A:
undetectable
1h4oD-4ab4A:
undetectable		 1h4oC-4ab4A:
19.20
1h4oD-4ab4A:
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.
1H4O_E_BEZE1162_0
(PEROXIREDOXIN 5)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 9 THR A  57
PRO A  70
GLY A  71
PHE A 167
GLY A  80
 None
 1.25A 1h4oE-4ab4A:
undetectable
1h4oF-4ab4A:
undetectable		 1h4oE-4ab4A:
19.20
1h4oF-4ab4A:
19.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 9 THR A  25
TYR A  66
HIS A 173
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.34A 1h60A-4ab4A:
53.6		 1h60A-4ab4A:
48.51
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.
1MIC_A_DVAA6_0
(GRAMICIDIN A)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		3 / 3 ALA A  37
VAL A  84
TRP A  81
 None
 0.85A 1micA-4ab4A:
undetectable
1micB-4ab4A:
undetectable		 1micA-4ab4A:
3.45
1micB-4ab4A:
3.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 9 THR A  25
TYR A  66
HIS A 173
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.38A 2abaA-4ab4A:
53.8		 2abaA-4ab4A:
48.51
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.
2CDQ_A_SAMA1500_0
(ASPARTOKINASE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		4 / 8 ILE A 151
ARG A 141
LEU A 143
GLU A 147
 None
 0.73A 2cdqA-4ab4A:
undetectable		 2cdqA-4ab4A:
20.98
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.
2QMM_A_SAMA301_0
(UPF0217 PROTEIN
AF_1056)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 9 LEU A  99
ILE A 172
GLY A 174
SER A  58
SER A  60
 None
 1.13A 2qmmA-4ab4A:
undetectable		 2qmmA-4ab4A:
20.17
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.
2V0Z_O_C41O1327_2
(RENIN)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		4 / 8 SER A 187
THR A 188
PRO A 119
LEU A 179
 None
 1.12A 2v0zO-4ab4A:
undetectable		 2v0zO-4ab4A:
23.24
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.
2VL2_A_BEZA1162_0
(PEROXIREDOXIN-5)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 10 THR A  57
PRO A  70
GLY A  71
PHE A 167
GLY A  80
 None
 1.21A 2vl2A-4ab4A:
undetectable
2vl2C-4ab4A:
undetectable		 2vl2A-4ab4A:
18.87
2vl2C-4ab4A:
18.87
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.
2WLJ_A_SPMA1303_1
(POTASSIUM CHANNEL)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		3 / 3 ARG A 348
ARG A 320
PRO A 315
 None
 1.13A 2wljA-4ab4A:
undetectable		 2wljA-4ab4A:
23.31
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.
2XKW_A_P1BA1478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		4 / 7 GLU A  55
ILE A  95
ALA A 304
ILE A   8
 None
 0.81A 2xkwA-4ab4A:
undetectable		 2xkwA-4ab4A:
22.78
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 12 ASN A  17
LEU A  15
ILE A  20
LEU A  53
PHE A 258
 None
 1.10A 3fl9B-4ab4A:
undetectable		 3fl9B-4ab4A:
18.06
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.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 12 ASN A  17
LEU A  15
ILE A  20
LEU A  53
PHE A 258
 None
 1.12A 3fl9G-4ab4A:
undetectable		 3fl9G-4ab4A:
18.06
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 12 ASN A 161
SER A 157
GLY A  63
VAL A 117
ILE A 151
 None
 1.26A 3jb2A-4ab4A:
undetectable		 3jb2A-4ab4A:
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.
3QEL_D_QELD2_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		4 / 5 TYR A 246
THR A 245
PHE A 244
LEU A 251
 None
 0.88A 3qelC-4ab4A:
2.0		 3qelC-4ab4A:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 9 THR A  25
ALA A  56
HIS A 173
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
FMN  A1351 (-3.2A)
FMN  A1351 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.31A 3upwA-4ab4A:
47.2		 3upwA-4ab4A:
35.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		6 / 7 THR A  25
TRP A 100
HIS A 173
ASN A 176
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.23A 4a3uA-4ab4A:
55.3		 4a3uA-4ab4A:
47.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		6 / 7 THR A  25
TRP A 100
HIS A 173
ASN A 176
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.22A 4a3uB-4ab4A:
55.7		 4a3uB-4ab4A:
47.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 7 THR A  25
TRP A 100
HIS A 173
ASN A 176
TYR A 178
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 ( 3.6A)
TNL  A1357 (-4.7A)
 0.26A 4awuA-4ab4A:
55.0		 4awuA-4ab4A:
47.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 6 THR A  25
TYR A  66
HIS A 173
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.89A 4df2A-4ab4A:
47.1		 4df2A-4ab4A:
34.99
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		3 / 3 ASP A 237
ARG A 104
THR A 243
 None
 0.89A 4i13A-4ab4A:
undetectable		 4i13A-4ab4A:
18.99
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.
4X30_A_T44A401_1
(THYROXINE-BINDING
GLOBULIN)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 9 ALA A 175
LEU A 207
LEU A 226
LEU A 206
ARG A 254
 None
 1.49A 4x30A-4ab4A:
undetectable		 4x30A-4ab4A:
21.15
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.
5IL1_A_SAMA601_0
(METTL3)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		5 / 12 ASP A 268
ILE A 270
ARG A 229
SER A 186
GLU A 242
 None
 1.34A 5il1A-4ab4A:
undetectable		 5il1A-4ab4A:
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.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		4 / 7 HIS A 173
TRP A 100
ASP A 234
HIS A 225
 FMN  A1351 ( 3.6A)
None
None
FMN  A1351 (-3.7A)
 1.48A 5iy5A-4ab4A:
undetectable
5iy5C-4ab4A:
undetectable		 5iy5A-4ab4A:
19.08
5iy5C-4ab4A:
19.62
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.
5UUN_A_ACTA303_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		3 / 3 GLU A  41
TYR A  42
ARG A  46
 None
 0.74A 5uunA-4ab4A:
undetectable		 5uunA-4ab4A:
22.68
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.
5UUN_B_ACTB305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		3 / 3 GLU A  41
TYR A  42
ARG A  46
 None
 0.77A 5uunB-4ab4A:
undetectable		 5uunB-4ab4A:
22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		6 / 8 THR A  25
TRP A 100
HIS A 173
ASN A 176
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.36A 5v4vA-4ab4A:
48.5		 5v4vA-4ab4A:
37.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		6 / 8 THR A  25
TRP A 100
HIS A 173
ASN A 176
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.34A 5v4vB-4ab4A:
48.6		 5v4vB-4ab4A:
37.75
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.
6GQI_A_ACTA604_0
(CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		4 / 6 PRO A 315
ILE A 344
TYR A  42
GLU A  41
 None
 0.97A 6gqiA-4ab4A:
undetectable		 6gqiA-4ab4A:
21.81
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.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4ab4 XENOBIOTIC REDUCTASE
B
(Pseudomonas
putida) 		4 / 7 HIS A 173
TRP A 100
ASP A 234
HIS A 225
 FMN  A1351 ( 3.6A)
None
None
FMN  A1351 (-3.7A)
 1.45A 6nmpN-4ab4A:
undetectable
6nmpP-4ab4A:
undetectable		 6nmpN-4ab4A:
19.08
6nmpP-4ab4A:
19.89