SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2jjp'

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_B_BEZB1162_0
(PEROXIREDOXIN 5)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		4 / 8 THR A  83
PRO A  84
GLY A  85
THR A 236
 None
 0.67A 1h4oB-2jjpA:
undetectable		 1h4oB-2jjpA:
15.94
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.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		4 / 8 THR A  83
PRO A  84
GLY A  85
THR A 236
 None
 0.71A 1oc3A-2jjpA:
undetectable		 1oc3A-2jjpA:
15.79
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.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		4 / 7 VAL A 254
LEU A 125
ALA A 140
LEU A 250
 None
 0.83A 1pthA-2jjpA:
undetectable		 1pthA-2jjpA:
22.52
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.
1PTH_B_SALB711_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		4 / 7 VAL A 254
LEU A 125
ALA A 140
LEU A 250
 None
 0.83A 1pthB-2jjpA:
undetectable		 1pthB-2jjpA:
22.52
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.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 12 LEU A 317
GLU A  27
SER A 345
LEU A 249
VAL A 281
 None
None
None
HEM  A 412 ( 3.8A)
None
 1.18A 1u72A-2jjpA:
undetectable		 1u72A-2jjpA:
16.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 6 HIS A  88
ALA A 237
ALA A 241
THR A 245
PHE A 288
 KLN  A 413 ( 3.6A)
KLN  A 413 (-3.2A)
HEM  A 412 ( 3.4A)
HEM  A 412 (-3.4A)
KLN  A 413 (-3.7A)
 0.50A 2xfhA-2jjpA:
56.2		 2xfhA-2jjpA:
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.
3TM4_A_SAMA401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 12 ALA A 149
LEU A 151
GLY A 242
HIS A 243
LEU A 125
 None
 1.08A 3tm4A-2jjpA:
undetectable		 3tm4A-2jjpA:
25.22
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.
3TM4_B_SAMB401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 12 ALA A 149
LEU A 151
GLY A 242
HIS A 243
LEU A 125
 None
 1.12A 3tm4B-2jjpA:
undetectable		 3tm4B-2jjpA:
25.22
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 10 ALA A 241
GLY A 355
LEU A 151
LEU A 238
LEU A 354
 HEM  A 412 ( 3.4A)
HEM  A 412 (-3.5A)
None
HEM  A 412 ( 4.5A)
HEM  A 412 ( 4.2A)
 1.20A 3wdmB-2jjpA:
undetectable		 3wdmB-2jjpA:
22.64
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.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 12 ARG A 360
SER A 345
LEU A 354
GLY A 355
ALA A 356
 None
None
HEM  A 412 ( 4.2A)
HEM  A 412 (-3.5A)
None
 1.15A 4coxA-2jjpA:
0.9		 4coxA-2jjpA:
21.58
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.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 12 ARG A 360
SER A 345
LEU A 354
GLY A 355
ALA A 356
 None
None
HEM  A 412 ( 4.2A)
HEM  A 412 (-3.5A)
None
 1.14A 4coxB-2jjpA:
undetectable		 4coxB-2jjpA:
21.58
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.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 12 ARG A 360
SER A 345
LEU A 354
GLY A 355
ALA A 356
 None
None
HEM  A 412 ( 4.2A)
HEM  A 412 (-3.5A)
None
 1.13A 4coxD-2jjpA:
undetectable		 4coxD-2jjpA:
21.58
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.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		3 / 3 GLU A 280
ASP A 333
ASP A 330
 None
 0.75A 4gc9A-2jjpA:
undetectable		 4gc9A-2jjpA:
21.53
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		4 / 8 ARG A 321
ARG A 283
ARG A 336
GLU A 259
 None
None
SO4  A 415 (-3.8A)
None
 1.14A 4kr4C-2jjpA:
undetectable		 4kr4C-2jjpA:
21.23
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		3 / 3 TRP A 315
GLN A  60
THR A 314
 None
 0.87A 4m2xA-2jjpA:
undetectable		 4m2xA-2jjpA:
19.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBS_A_DIFA503_1
(PENTALENIC ACID
SYNTHASE)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		4 / 7 LEU A 238
THR A 110
LEU A 354
ILE A 111
 HEM  A 412 ( 4.5A)
None
HEM  A 412 ( 4.2A)
None
 0.86A 4ubsA-2jjpA:
40.6		 4ubsA-2jjpA:
33.57
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.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		4 / 6 ILE A 111
VAL A 148
THR A 245
ARG A 364
 None
None
HEM  A 412 (-3.4A)
None
 1.18A 4xe5A-2jjpA:
undetectable		 4xe5A-2jjpA:
18.91
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.
4Z7F_C_FOLC201_0
(FOLATE ECF
TRANSPORTER)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 12 SER A 345
ALA A 276
PHE A 332
THR A 256
LEU A 257
 None
 1.45A 4z7fC-2jjpA:
undetectable		 4z7fC-2jjpA:
18.45
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.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		4 / 5 GLU A 280
TYR A 284
SER A 338
ASP A 328
 None
None
SO4  A 415 (-3.3A)
None
 1.45A 5fhrA-2jjpA:
undetectable		 5fhrA-2jjpA:
20.06
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.
6FDY_U_DB8U302_1
(-)		 2jjp CYTOCHROME P450
113A1
(Saccharopolyspor
a
erythraea) 		5 / 9 VAL A 365
SER A 112
LEU A 114
GLU A 115
ILE A 118
 None
 1.42A 6fdyU-2jjpA:
undetectable		 6fdyU-2jjpA:
21.31