SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3i12'

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.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		5 / 12 GLY A  11
ASP A  44
ILE A   8
GLY A   7
LEU A  21
 None
 1.19A 3eeyE-3i12A:
undetectable		 3eeyE-3i12A:
21.27
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.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		5 / 12 GLY A  11
ASP A  44
ILE A   8
GLY A   7
LEU A  21
 None
 1.03A 3eeyF-3i12A:
undetectable		 3eeyF-3i12A:
21.27
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.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		3 / 3 TYR A 290
TYR A 328
GLY A 235
 None
 0.75A 3eteB-3i12A:
2.8
3eteD-3i12A:
3.7
3eteF-3i12A:
2.5		 3eteB-3i12A:
23.27
3eteD-3i12A:
23.27
3eteF-3i12A:
23.27
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.
3H6T_C_CYZC265_1
(GLUTAMATE RECEPTOR 2)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		5 / 11 ILE A 343
SER A  23
PRO A 329
SER A 326
LEU A 346
 None
 1.45A 3h6tA-3i12A:
undetectable
3h6tC-3i12A:
undetectable		 3h6tA-3i12A:
23.31
3h6tC-3i12A:
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.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		3 / 3 SER A 115
ASP A 113
ASN A 188
 None
 0.99A 3lsfB-3i12A:
undetectable
3lsfE-3i12A:
undetectable		 3lsfB-3i12A:
21.99
3lsfE-3i12A:
21.99
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.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		3 / 3 SER A 326
ASP A 263
ASN A 264
 None
 0.91A 3lsfB-3i12A:
undetectable
3lsfE-3i12A:
undetectable		 3lsfB-3i12A:
21.99
3lsfE-3i12A:
21.99
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.
3LSF_E_PZIE802_0
(GLUTAMATE RECEPTOR 2)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		3 / 3 ASP A 113
ASN A 188
SER A 115
 None
 0.91A 3lsfB-3i12A:
undetectable
3lsfE-3i12A:
undetectable		 3lsfB-3i12A:
21.99
3lsfE-3i12A:
21.99
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.
3LSF_E_PZIE802_0
(GLUTAMATE RECEPTOR 2)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		3 / 3 ASP A 263
ASN A 264
SER A 326
 None
 0.94A 3lsfB-3i12A:
undetectable
3lsfE-3i12A:
undetectable		 3lsfB-3i12A:
21.99
3lsfE-3i12A:
21.99
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.
3MG0_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		5 / 12 ALA A 241
ALA A 286
ALA A 296
GLY A 297
ALA A 299
 None
 0.89A 3mg0Y-3i12A:
undetectable
3mg0Z-3i12A:
undetectable		 3mg0Y-3i12A:
18.85
3mg0Z-3i12A:
20.82
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.
3RV5_A_DXCA92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 4 LYS A 217
PHE A 212
PHE A 214
VAL A 193
 None
 1.44A 3rv5A-3i12A:
0.0
3rv5B-3i12A:
0.0		 3rv5A-3i12A:
13.19
3rv5B-3i12A:
13.19
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.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 7 GLU A 230
ILE A 247
GLU A 228
VAL A 219
 None
None
ADP  A 365 (-2.9A)
None
 0.65A 4a97A-3i12A:
undetectable		 4a97A-3i12A:
22.36
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.
4A97_D_ZPCD1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 7 GLU A 230
ILE A 247
GLU A 228
VAL A 219
 None
None
ADP  A 365 (-2.9A)
None
 0.71A 4a97D-3i12A:
undetectable		 4a97D-3i12A:
22.36
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.
4A97_H_ZPCH1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		5 / 7 GLU A 230
ILE A 247
GLU A 228
VAL A 219
PHE A 304
 None
None
ADP  A 365 (-2.9A)
None
ADP  A 365 (-4.3A)
 1.25A 4a97H-3i12A:
undetectable		 4a97H-3i12A:
22.36
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.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 6 ARG A 300
GLU A 228
LEU A 249
ASP A 302
 None
ADP  A 365 (-2.9A)
ADP  A 365 (-4.4A)
None
 1.28A 4cevA-3i12A:
undetectable
4cevB-3i12A:
undetectable		 4cevA-3i12A:
22.11
4cevB-3i12A:
22.11
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.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 6 ASP A 302
ARG A 300
GLU A 228
LEU A 249
 None
None
ADP  A 365 (-2.9A)
ADP  A 365 (-4.4A)
 1.27A 4cevA-3i12A:
undetectable
4cevC-3i12A:
undetectable		 4cevA-3i12A:
22.11
4cevC-3i12A:
22.11
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.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 6 ARG A 300
GLU A 228
LEU A 249
ASP A 302
 None
ADP  A 365 (-2.9A)
ADP  A 365 (-4.4A)
None
 1.26A 4cevD-3i12A:
2.1
4cevE-3i12A:
2.0		 4cevD-3i12A:
22.11
4cevE-3i12A:
22.11
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.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 6 ARG A 300
GLU A 228
LEU A 249
ASP A 302
 None
ADP  A 365 (-2.9A)
ADP  A 365 (-4.4A)
None
 1.27A 4cevE-3i12A:
2.0
4cevF-3i12A:
undetectable		 4cevE-3i12A:
22.11
4cevF-3i12A:
22.11
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.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 8 ASP A 263
ASP A 302
ASN A 317
GLU A 230
 None
 1.19A 4feuF-3i12A:
undetectable		 4feuF-3i12A:
22.62
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.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 5 ALA A 272
ILE A 282
LEU A 305
ASN A 279
 None
 1.07A 4g19A-3i12A:
undetectable		 4g19A-3i12A:
20.44
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 6 ASP A 263
ASP A 302
ASN A 317
GLU A 230
 None
 1.31A 4gkhJ-3i12A:
undetectable		 4gkhJ-3i12A:
22.62
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.
4HAJ_A_DXCA75_0
(PPCA)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 7 ILE A  67
LEU A  58
PHE A  10
GLY A  42
 None
 1.02A 4hajA-3i12A:
undetectable		 4hajA-3i12A:
14.29
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.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		3 / 3 CYH A 138
ASN A 317
LYS A 141
 None
None
ADP  A 365 (-2.8A)
 1.35A 4k50A-3i12A:
undetectable		 4k50A-3i12A:
20.89
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.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		4 / 6 ASP A  63
ARG A  70
ASN A  60
GLN A  59
 None
 1.29A 5l6eA-3i12A:
undetectable		 5l6eA-3i12A:
22.10
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.
6AWT_D_BEZD202_0
(PR 10 PROTEIN)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		3 / 3 PHE A  36
ASP A  37
LYS A   3
 None
 0.75A 6awtD-3i12A:
1.7		 6awtD-3i12A:
19.89
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3i12 D-ALANINE-D-ALANINE
LIGASE A
(Salmonella
enterica) 		6 / 12 PRO A 126
ILE A 347
THR A 355
ILE A 102
VAL A  99
ASP A 100
 None
 1.21A 6emuA-3i12A:
2.7		 6emuA-3i12A:
18.75