SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3smv'

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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 6 ILE A  24
TRP A  98
ASP A  19
PRO A  99
 None
None
GOL  A 306 ( 4.7A)
None
 1.23A 1ditH-3smvA:
undetectable
1ditP-3smvA:
undetectable		 1ditH-3smvA:
23.35
1ditP-3smvA:
10.81
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		5 / 11 SER A 196
PHE A   6
ALA A   8
THR A 178
LEU A 165
 None
 1.03A 1jinA-3smvA:
undetectable		 1jinA-3smvA:
21.09
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.
2IYF_B_ERYB1399_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		5 / 12 ILE A 142
ASN A 132
LEU A 135
TYR A  14
SER A 121
 None
 1.38A 2iyfB-3smvA:
5.8		 2iyfB-3smvA:
20.28
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.
2JAP_A_J01A1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		5 / 12 LEU A 111
ALA A 233
THR A   4
LEU A 176
TYR A 115
 None
 1.21A 2japA-3smvA:
6.1		 2japA-3smvA:
22.07
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.
2JAP_C_J01C1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		5 / 12 LEU A 111
ALA A 233
THR A   4
LEU A 176
TYR A 115
 None
 1.20A 2japC-3smvA:
6.1		 2japC-3smvA:
22.07
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		3 / 3 ASP A 174
PHE A   6
LEU A   9
 None
 0.59A 2zi9A-3smvA:
undetectable		 2zi9A-3smvA:
20.86
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.
3AF3_A_PAUA314_0
(PANTOTHENATE KINASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 6 TYR A 115
MET A 230
PHE A 224
PHE A 222
 None
 1.36A 3af3A-3smvA:
undetectable		 3af3A-3smvA:
20.91
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 8 ASN A  51
ILE A  75
PHE A  39
ARG A  50
 None
None
GOL  A 305 ( 4.2A)
None
 1.30A 3ccfB-3smvA:
2.5		 3ccfB-3smvA:
20.68
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 8 ASN A  51
ILE A  75
TRP A  79
ARG A  50
 None
None
GOL  A 302 (-4.7A)
None
 1.15A 3ccfB-3smvA:
2.5		 3ccfB-3smvA:
20.68
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.
3QEL_D_QELD2_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 5 TYR A 160
THR A 159
PHE A 158
LEU A 165
 IMD  A 401 (-4.8A)
None
None
None
 0.73A 3qelC-3smvA:
4.4		 3qelC-3smvA:
20.05
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 6 ARG A  88
GLY A  92
GLU A  89
GLN A  55
 None
None
GOL  A 307 (-4.2A)
None
 1.31A 4g0vB-3smvA:
2.6		 4g0vB-3smvA:
14.05
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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 6 ASP A  12
ALA A 145
TYR A 151
ASP A 185
 GOL  A 301 (-3.1A)
None
GOL  A 304 (-3.4A)
GOL  A 301 ( 4.6A)
 1.02A 4mdaA-3smvA:
undetectable		 4mdaA-3smvA:
19.77
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.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 6 ASP A  12
ALA A 145
TYR A 151
ASP A 185
 GOL  A 301 (-3.1A)
None
GOL  A 304 (-3.4A)
GOL  A 301 ( 4.6A)
 0.97A 4mdbA-3smvA:
undetectable		 4mdbA-3smvA:
19.77
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		5 / 12 VAL A 220
LEU A 194
LEU A   9
LEU A 111
ALA A 233
 None
 1.37A 4rtbA-3smvA:
undetectable		 4rtbA-3smvA:
20.92
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.
4Z90_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		5 / 7 THR A 104
LEU A 108
THR A  16
LEU A  17
THR A 178
 None
 1.44A 4z90A-3smvA:
undetectable
4z90B-3smvA:
undetectable
4z90C-3smvA:
undetectable
4z90D-3smvA:
undetectable
4z90E-3smvA:
undetectable		 4z90A-3smvA:
22.67
4z90B-3smvA:
22.67
4z90C-3smvA:
22.67
4z90D-3smvA:
22.67
4z90E-3smvA:
22.67
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.
5ODI_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		3 / 3 HIS A 203
GLU A 180
TRP A 198
 GOL  A 311 (-3.8A)
None
None
 1.22A 5odiD-3smvA:
2.1		 5odiD-3smvA:
20.25
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		5 / 12 LEU A 117
LEU A   3
PHE A   6
MET A 230
ALA A 231
 None
 1.15A 6r2eE-3smvA:
undetectable		 6r2eE-3smvA:
21.30