SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4n54'

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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		3 / 3 LEU A  82
SER A  78
ASN A 175
 None
NAI  A 401 (-3.1A)
None
 0.78A 1bx4A-4n54A:
4.8		 1bx4A-4n54A:
22.28
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ILE A  19
GLY A  17
GLY A  12
GLU A 298
PHE A 295
 None
NAI  A 401 ( 4.9A)
NAI  A 401 (-3.5A)
None
NAI  A 401 (-4.9A)
 0.75A 1nv8B-4n54A:
5.7		 1nv8B-4n54A:
20.55
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.
1VQ1_B_SAMB301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ILE A  19
GLY A  17
GLY A  12
GLU A 298
PHE A 295
 None
NAI  A 401 ( 4.9A)
NAI  A 401 (-3.5A)
None
NAI  A 401 (-4.9A)
 0.85A 1vq1B-4n54A:
5.9		 1vq1B-4n54A:
23.28
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.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ALA A  35
GLY A   9
ASP A  61
VAL A  75
GLY A  12
 None
None
None
NAI  A 401 (-4.6A)
NAI  A 401 (-3.5A)
 1.04A 2qe6B-4n54A:
3.4		 2qe6B-4n54A:
21.92
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.
2UXP_B_CLMB1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 11 HIS A 110
ALA A 107
VAL A 114
GLY A 102
ILE A 101
 None
 1.21A 2uxpB-4n54A:
undetectable		 2uxpB-4n54A:
21.20
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.
2YZQ_A_SAMA6075_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 MET A 259
ILE A 150
THR A 233
ILE A 191
GLU A 252
 None
 1.28A 2yzqA-4n54A:
undetectable		 2yzqA-4n54A:
24.21
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.
3AF3_A_PAUA314_0
(PANTOTHENATE KINASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 6 TYR A 247
ARG A 290
PHE A 287
PHE A 295
 2H3  A 402 (-4.5A)
None
NAI  A 401 ( 3.7A)
NAI  A 401 (-4.9A)
 0.97A 3af3A-4n54A:
undetectable		 3af3A-4n54A:
23.23
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.
3CLB_A_TMQA611_1
(DHFR-TS)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 11 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
 None
 1.04A 3clbA-4n54A:
undetectable		 3clbA-4n54A:
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.
3CLB_B_TMQB612_1
(DHFR-TS)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
 None
 0.97A 3clbB-4n54A:
undetectable		 3clbB-4n54A:
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.
3CLB_C_TMQC613_1
(DHFR-TS)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
 None
 1.00A 3clbC-4n54A:
undetectable		 3clbC-4n54A:
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.
3CLB_D_TMQD614_1
(DHFR-TS)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 10 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
 None
 0.98A 3clbD-4n54A:
undetectable		 3clbD-4n54A:
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.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 10 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
 None
 1.07A 3hbbA-4n54A:
undetectable		 3hbbA-4n54A:
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.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 11 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
 None
 0.98A 3hbbC-4n54A:
undetectable		 3hbbC-4n54A:
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 10 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
 None
 1.01A 3hbbD-4n54A:
undetectable		 3hbbD-4n54A:
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.
3KIV_A_ACAA100_1
(APOLIPOPROTEIN)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 7 ARG A 129
ASP A 187
PHE A 291
ARG A 290
 None
 1.49A 3kivA-4n54A:
undetectable		 3kivA-4n54A:
11.34
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 PHE A 170
PHE A 167
GLY A  14
MET A 183
 NAI  A 401 (-4.1A)
None
NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
 0.97A 3ko0B-4n54A:
undetectable
3ko0J-4n54A:
undetectable		 3ko0B-4n54A:
13.88
3ko0J-4n54A:
13.88
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.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 7 GLY A  14
MET A 183
PHE A 170
PHE A 167
 NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
NAI  A 401 (-4.1A)
None
 0.88A 3ko0M-4n54A:
undetectable
3ko0P-4n54A:
undetectable		 3ko0M-4n54A:
13.88
3ko0P-4n54A:
13.88
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.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 7 PHE A 170
PHE A 167
GLY A  14
MET A 183
 NAI  A 401 (-4.1A)
None
NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
 0.92A 3ko0K-4n54A:
undetectable
3ko0S-4n54A:
undetectable		 3ko0K-4n54A:
13.88
3ko0S-4n54A:
13.88
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.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 7 PHE A 170
PHE A 167
GLY A  14
MET A 183
 NAI  A 401 (-4.1A)
None
NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
 0.99A 3ko0R-4n54A:
undetectable
3ko0T-4n54A:
undetectable		 3ko0R-4n54A:
13.88
3ko0T-4n54A:
13.88
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.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		3 / 3 GLU A 299
PHE A  73
GLN A 124
 None
 0.85A 3r55A-4n54A:
undetectable		 3r55A-4n54A:
20.78
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 5 ARG A 290
PRO A 266
TYR A 247
VAL A 265
 None
None
2H3  A 402 (-4.5A)
None
 1.39A 3sufC-4n54A:
undetectable		 3sufC-4n54A:
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.
3THR_C_C2FC1410_0
(GLYCINE
N-METHYLTRANSFERASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		3 / 3 ARG A 129
PRO A 100
PHE A 127
 None
 0.87A 3thrC-4n54A:
undetectable		 3thrC-4n54A:
21.01
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.
3VYW_D_SAMD401_0
(MNMC2)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 GLY A 223
GLY A 240
ASN A 208
ALA A 225
LEU A 329
 None
 1.18A 3vywD-4n54A:
4.1		 3vywD-4n54A:
21.12
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.
4KN2_C_LYAC304_1
(FOLATE RECEPTOR BETA)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ASP A 159
SER A  97
HIS A 186
GLY A 322
TYR A 247
 2H3  A 402 (-2.8A)
None
2H3  A 402 ( 3.8A)
None
2H3  A 402 (-4.5A)
 1.22A 4kn2C-4n54A:
undetectable		 4kn2C-4n54A:
19.08
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 SER A  78
HIS A  81
ILE A 185
GLU A  98
 NAI  A 401 (-3.1A)
NAI  A 401 (-4.0A)
None
NAI  A 401 (-3.3A)
 1.03A 4ms4A-4n54A:
5.2		 4ms4A-4n54A:
20.81
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 6 ASP A  70
LYS A  93
HIS A  94
ILE A 306
 None
 0.48A 5a06A-4n54A:
34.0		 5a06A-4n54A:
26.06
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.
5A06_B_SORB1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 5 ASP A  70
LYS A  93
HIS A  94
ILE A 306
 None
 0.50A 5a06B-4n54A:
34.0		 5a06B-4n54A:
26.06
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.
5A06_D_SORD1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 5 ASP A  70
LYS A  93
HIS A  94
ILE A 306
 None
 0.47A 5a06D-4n54A:
34.1		 5a06D-4n54A:
26.06
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.
5A06_F_SORF1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 5 ASP A  70
LYS A  93
HIS A  94
ILE A 306
 None
 0.50A 5a06F-4n54A:
34.1		 5a06F-4n54A:
26.06
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.
5I8F_A_ML1A211_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 6 VAL A 213
LYS A 216
ALA A 217
VAL A 168
 None
 0.91A 5i8fA-4n54A:
undetectable		 5i8fA-4n54A:
21.86
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		3 / 3 SER A 176
SER A  78
PHE A 167
 None
NAI  A 401 (-3.1A)
None
 0.85A 5mugA-4n54A:
undetectable		 5mugA-4n54A:
19.13
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.
5VW5_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 THR A 323
GLY A 322
GLU A 317
ALA A 316
 None
 0.72A 5vw5A-4n54A:
undetectable		 5vw5A-4n54A:
23.70
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)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 ILE A  69
LEU A  51
ALA A  47
LEU A  13
 None
None
None
NAI  A 401 (-4.8A)
 0.83A 5y7pC-4n54A:
undetectable		 5y7pC-4n54A:
22.37
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)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 ILE A  69
LEU A  51
ALA A  47
LEU A  13
 None
None
None
NAI  A 401 (-4.8A)
 0.79A 5y7pE-4n54A:
undetectable		 5y7pE-4n54A:
22.37
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.
5YW0_A_ACTA410_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 4 GLY A  17
LEU A  16
VAL A  75
GLU A  98
 NAI  A 401 ( 4.9A)
NAI  A 401 (-3.9A)
NAI  A 401 (-4.6A)
NAI  A 401 (-3.3A)
 1.27A 5yw0A-4n54A:
undetectable		 5yw0A-4n54A:
21.87