SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ijn'

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.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 VAL A  74
ILE A 109
GLY A 111
ALA A 108
SER A   9
 EDO  A 404 (-3.9A)
None
None
None
None
 1.03A 1eqhA-4ijnA:
undetectable		 1eqhA-4ijnA:
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.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 VAL A  74
ILE A 109
GLY A 111
ALA A 108
SER A   9
 EDO  A 404 (-3.9A)
None
None
None
None
 1.01A 1eqhB-4ijnA:
undetectable		 1eqhB-4ijnA:
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.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 198
LEU A 188
ILE A 293
VAL A 319
VAL A 312
 None
None
None
None
AMP  A 402 (-4.1A)
 1.34A 3r9cA-4ijnA:
undetectable		 3r9cA-4ijnA:
22.83
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.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ASP A 275
ALA A 278
VAL A 255
GLY A 257
LEU A 270
 None
 0.89A 3sm2B-4ijnA:
undetectable		 3sm2B-4ijnA:
16.83
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)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 HIS A  43
ARG A 251
ASN A 250
GLY A 220
GLY A  10
 None
 1.44A 3v3oD-4ijnA:
undetectable		 3v3oD-4ijnA:
23.73
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.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 PHE A 132
LEU A 180
GLY A 201
VAL A 205
 None
None
EDO  A 403 (-3.6A)
None
 0.89A 3wrkD-4ijnA:
undetectable		 3wrkD-4ijnA:
20.75
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.
3ZJQ_A_NCAA300_0
(PROTOGLOBIN)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 TYR A 285
VAL A 255
VAL A 312
ILE A 271
 None
None
AMP  A 402 (-4.1A)
None
 0.94A 3zjqA-4ijnA:
undetectable		 3zjqA-4ijnA:
18.92
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.
3ZJQ_B_NCAB300_0
(PROTOGLOBIN)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 TYR A 285
VAL A 255
VAL A 312
ILE A 271
 None
None
AMP  A 402 (-4.1A)
None
 0.94A 3zjqB-4ijnA:
undetectable		 3zjqB-4ijnA:
18.92
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.
4FE1_A_PQNA846_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 200
LEU A 300
GLY A 301
ALA A 194
MET A 219
 EDO  A 403 (-3.8A)
None
None
None
None
 1.25A 4fe1A-4ijnA:
undetectable
4fe1J-4ijnA:
undetectable		 4fe1A-4ijnA:
19.42
4fe1J-4ijnA:
8.25
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_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 LYS A 291
TYR A 292
ARG A 288
 None
 1.38A 4gc9A-4ijnA:
undetectable		 4gc9A-4ijnA:
23.45
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.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 LEU A 330
VAL A 358
ILE A 306
ARG A 320
LEU A 188
 None
 1.09A 4kukA-4ijnA:
undetectable		 4kukA-4ijnA:
18.07
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.
4LL3_A_017A202_2
(PROTEASE)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A  68
VAL A  85
PRO A  83
VAL A 127
ILE A 125
 None
 1.20A 4ll3B-4ijnA:
undetectable		 4ll3B-4ijnA:
13.39
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 SER A 208
GLU A 215
GLY A 313
GLY A 191
 None
None
None
AMP  A 402 (-3.4A)
 0.86A 5cdnA-4ijnA:
undetectable
5cdnB-4ijnA:
undetectable		 5cdnA-4ijnA:
23.90
5cdnB-4ijnA:
19.65
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ARG A 288
SER A 223
GLY A 220
ALA A 281
VAL A 255
 None
 1.47A 5i3cA-4ijnA:
undetectable		 5i3cA-4ijnA:
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.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 190
GLY A 313
VAL A 316
PHE A 308
LEU A 188
 None
None
AMP  A 402 (-4.6A)
None
None
 1.37A 5jo9A-4ijnA:
2.0		 5jo9A-4ijnA:
24.06
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.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 217
HIS A 165
GLY A 191
GLY A 220
HIS A 161
 None
None
AMP  A 402 (-3.4A)
None
EDO  A 404 ( 3.7A)
 1.22A 5nnaA-4ijnA:
undetectable		 5nnaA-4ijnA:
22.57
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.
5NNA_B_BZMB301_0
(ISATIN HYDROLASE A)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 217
HIS A 165
GLY A 191
GLY A 220
HIS A 161
 None
None
AMP  A 402 (-3.4A)
None
EDO  A 404 ( 3.7A)
 1.20A 5nnaB-4ijnA:
undetectable		 5nnaB-4ijnA:
22.57
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.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 217
HIS A 165
GLY A 191
GLY A 220
HIS A 161
 None
None
AMP  A 402 (-3.4A)
None
EDO  A 404 ( 3.7A)
 1.20A 5nnaC-4ijnA:
undetectable		 5nnaC-4ijnA:
22.57
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.
5NNA_D_BZMD301_0
(ISATIN HYDROLASE A)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 217
HIS A 165
GLY A 191
GLY A 220
HIS A 161
 None
None
AMP  A 402 (-3.4A)
None
EDO  A 404 ( 3.7A)
 1.23A 5nnaD-4ijnA:
undetectable		 5nnaD-4ijnA:
22.57
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.
5VSC_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 MET A 209
GLY A 210
TYR A 296
HIS A 189
PHE A 133
 EDO  A 404 (-3.6A)
None
None
None
None
 1.42A 5vscA-4ijnA:
undetectable		 5vscA-4ijnA:
17.86
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.
5VSC_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 MET A 209
GLY A 210
TYR A 296
HIS A 189
PHE A 133
 EDO  A 404 (-3.6A)
None
None
None
None
 1.41A 5vscB-4ijnA:
undetectable		 5vscB-4ijnA:
17.86
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.
5VSE_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 MET A 209
GLY A 210
TYR A 296
HIS A 189
PHE A 133
 EDO  A 404 (-3.6A)
None
None
None
None
 1.41A 5vseA-4ijnA:
undetectable		 5vseA-4ijnA:
18.54
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.
5VSE_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 MET A 209
GLY A 210
TYR A 296
HIS A 189
PHE A 133
 EDO  A 404 (-3.6A)
None
None
None
None
 1.41A 5vseB-4ijnA:
undetectable		 5vseB-4ijnA:
18.54
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.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ILE A 369
LEU A 119
ALA A 115
LEU A  47
 None
 0.75A 5y7pC-4ijnA:
undetectable		 5y7pC-4ijnA:
24.25
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.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ILE A 369
LEU A 119
ALA A 115
LEU A  47
 None
 0.75A 5y7pE-4ijnA:
undetectable		 5y7pE-4ijnA:
24.25
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 4ijn ACETATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ILE A 174
GLN A 171
THR A 363
SER A 307
 None
 1.02A 6c06C-4ijnA:
undetectable		 6c06C-4ijnA:
undetectable