SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4nn3'

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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		5 / 10 ALA A 301
GLU A 305
MET A 307
LEU A 306
LEU A 295
 None
 1.39A 1a52A-4nn3A:
undetectable		 1a52A-4nn3A:
21.64
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.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		5 / 11 ILE A  33
PHE A  64
SER A 250
LEU A 251
PRO A 252
 None
 1.17A 1dg5A-4nn3A:
undetectable		 1dg5A-4nn3A:
19.78
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.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 7 ALA A  95
ASP A 175
VAL A 173
ILE A 109
 None
PGE  A 402 (-3.0A)
None
None
 0.81A 1t7iB-4nn3A:
undetectable		 1t7iB-4nn3A:
13.62
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.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 7 ALA A  95
ASP A 175
VAL A 173
ILE A 109
 None
PGE  A 402 (-3.0A)
None
None
 0.79A 1t7jB-4nn3A:
undetectable		 1t7jB-4nn3A:
13.62
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.
3KVR_A_URFA2001_1
(URIDINE
PHOSPHORYLASE)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		5 / 10 THR A 231
GLN A 278
GLU A 233
LEU A 229
ILE A 285
 None
 1.34A 3kvrA-4nn3A:
undetectable		 3kvrA-4nn3A:
24.59
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.
3KVR_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		5 / 10 THR A 231
GLN A 278
GLU A 233
LEU A 229
ILE A 285
 None
 1.34A 3kvrB-4nn3A:
undetectable		 3kvrB-4nn3A:
24.59
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.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		5 / 10 ILE A 160
MET A 220
PHE A 222
ALA A 201
LEU A 202
 None
 1.29A 3lw5B-4nn3A:
undetectable		 3lw5B-4nn3A:
18.55
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.
3NBQ_A_URFA400_1
(URIDINE
PHOSPHORYLASE 1)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		5 / 9 THR A 231
GLN A 278
GLU A 233
LEU A 229
ILE A 285
 None
 1.33A 3nbqA-4nn3A:
undetectable		 3nbqA-4nn3A:
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.
3REM_A_SALA301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 8 VAL A 225
VAL A 206
TYR A 199
GLN A 226
 None
 1.06A 3remA-4nn3A:
undetectable		 3remA-4nn3A:
17.46
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.
3REM_B_SALB301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 8 VAL A 225
VAL A 206
TYR A 199
GLN A 226
 None
 1.05A 3remB-4nn3A:
undetectable		 3remB-4nn3A:
17.46
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.
3WXO_A_NIZA804_1
(CATALASE-PEROXIDASE)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		3 / 3 ASN A 212
GLU A 210
ARG A 172
 ORO  A 403 (-2.9A)
None
ORO  A 403 (-2.8A)
 1.09A 3wxoA-4nn3A:
undetectable		 3wxoA-4nn3A:
18.84
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)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 6 ARG A 172
GLY A 209
GLN A 182
MET A 307
 ORO  A 403 (-2.8A)
None
None
None
 0.98A 4g0vB-4nn3A:
undetectable		 4g0vB-4nn3A:
19.26
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		3 / 3 LYS A 142
ASN A  79
ASP A 137
 None
 0.81A 4o1eA-4nn3A:
undetectable		 4o1eA-4nn3A:
22.40
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 7 ALA A 120
SER A 232
GLY A 235
ALA A 236
 None
 0.77A 4r1zB-4nn3A:
undetectable		 4r1zB-4nn3A:
21.46
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_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 6 GLU A  30
ASP A 239
ARG A  43
GLY A  46
 None
None
ORO  A 403 (-2.9A)
None
 0.88A 5cdnC-4nn3A:
undetectable
5cdnD-4nn3A:
undetectable		 5cdnC-4nn3A:
21.84
5cdnD-4nn3A:
21.10
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 6 GLU A  30
ASP A 239
ARG A  43
GLY A  46
 None
None
ORO  A 403 (-2.9A)
None
 0.93A 5cdnT-4nn3A:
undetectable
5cdnU-4nn3A:
undetectable		 5cdnT-4nn3A:
21.84
5cdnU-4nn3A:
21.10
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.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		5 / 12 PHE A 195
PRO A 194
PHE A 222
THR A 155
GLY A 209
 ORO  A 403 ( 3.8A)
CL  A 401 (-4.4A)
None
None
None
 1.38A 5xioA-4nn3A:
undetectable		 5xioA-4nn3A:
21.24
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.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		 4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Desulfovibrio
salexigens) 		4 / 6 ASN A 212
PRO A 213
ILE A 217
GLU A 210
 ORO  A 403 (-2.9A)
ORO  A 403 ( 4.8A)
None
None
 1.08A 6h7uA-4nn3A:
undetectable		 6h7uA-4nn3A:
21.70