SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4cpd'

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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A  37
LEU A  57
GLY A  58
VAL A   4
ALA A   3
 None
 1.13A 1axwA-4cpdA:
undetectable		 1axwA-4cpdA:
21.54
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.
1JO4_A_DVAA6_0
(GRAMICIDIN C)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		3 / 3 ALA A 147
VAL A  81
TRP A  80
 None
 0.95A 1jo4A-4cpdA:
undetectable		 1jo4A-4cpdA:
4.20
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.
1JO4_B_DVAB6_0
(GRAMICIDIN C)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		3 / 3 ALA A 147
VAL A  81
TRP A  80
 None
 0.95A 1jo4B-4cpdA:
undetectable		 1jo4B-4cpdA:
4.20
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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ALA A 177
LEU A 306
MET A 183
GLY A 178
LEU A 154
 None
None
None
NAD  A1407 (-3.6A)
None
 1.09A 1qabF-4cpdA:
undetectable		 1qabF-4cpdA:
21.33
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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 8 TYR A 298
GLY A 164
GLY A 160
GLY A 159
LEU A 161
 None
 0.78A 1qzzA-4cpdA:
7.3		 1qzzA-4cpdA:
27.21
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 10 LEU A 154
VAL A 295
TYR A 158
PRO A 139
LEU A 306
 None
 1.44A 1sv5A-4cpdA:
undetectable		 1sv5A-4cpdA:
21.42
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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A  37
LEU A  57
GLY A  58
VAL A   4
ALA A   3
 None
 1.10A 1tlsA-4cpdA:
undetectable		 1tlsA-4cpdA:
22.43
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.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 LEU A 306
VAL A  82
LEU A 135
LEU A 154
ILE A 153
 None
 1.12A 3ijdA-4cpdA:
undetectable		 3ijdA-4cpdA:
20.53
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.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A 148
ALA A 150
LEU A 303
GLN A 312
VAL A  62
 None
 1.17A 3ix9A-4cpdA:
3.5		 3ix9A-4cpdA:
19.31
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.
3U7S_A_017A202_1
(POL POLYPROTEIN)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 9 ILE A 148
GLY A  36
ILE A  37
PRO A 179
LEU A 339
 None
None
None
NAD  A1407 (-3.6A)
None
 1.04A 3u7sA-4cpdA:
undetectable		 3u7sA-4cpdA:
14.41
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.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		4 / 8 ASP A  41
GLY A  39
VAL A 268
HIS A  59
 None
NAD  A1407 (-3.3A)
NAD  A1407 (-4.1A)
ZN  A1200 (-3.4A)
 0.86A 4c5nC-4cpdA:
undetectable		 4c5nC-4cpdA:
20.73
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A  37
LEU A  57
GLY A  58
VAL A   4
ALA A   3
 None
 1.15A 4foxD-4cpdA:
undetectable		 4foxD-4cpdA:
23.50
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A  37
LEU A  57
GLY A  58
VAL A   4
ALA A   3
 None
 1.02A 4fqsA-4cpdA:
undetectable		 4fqsA-4cpdA:
23.50
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.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A  37
LEU A  57
GLY A  58
VAL A   4
ALA A   3
 None
 1.02A 4fqsB-4cpdA:
undetectable		 4fqsB-4cpdA:
23.50
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ALA A 338
ILE A 153
ASP A 200
GLY A 178
GLY A 176
 None
None
NAD  A1407 (-3.1A)
NAD  A1407 (-3.6A)
NAD  A1407 ( 3.9A)
 1.12A 4hfpB-4cpdA:
undetectable		 4hfpB-4cpdA:
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.
4MM4_A_8PRA603_1
(TRANSPORTER)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 VAL A 266
ALA A 265
PHE A  85
GLY A 245
THR A 156
 NAD  A1407 (-4.0A)
None
NAD  A1407 ( 4.9A)
NAD  A1407 ( 4.8A)
NAD  A1407 (-3.3A)
 1.28A 4mm4A-4cpdA:
undetectable		 4mm4A-4cpdA:
22.22
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.
4PTJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		3 / 3 ASP A 300
LYS A 137
LEU A  75
 None
 1.00A 4ptjA-4cpdA:
3.2		 4ptjA-4cpdA:
18.93
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.
5HRQ_K_IPHK101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		4 / 6 VAL A 133
HIS A 296
CYH A  89
CYH A  95
 None
None
ZN  A1300 (-2.3A)
ZN  A1300 (-2.3A)
 1.40A 5hrqH-4cpdA:
undetectable
5hrqK-4cpdA:
undetectable
5hrqL-4cpdA:
undetectable		 5hrqH-4cpdA:
9.22
5hrqK-4cpdA:
8.08
5hrqL-4cpdA:
9.22
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.
5I3B_B_HQEB303_1
(TYROSINASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		4 / 5 HIS A  86
HIS A 296
VAL A 295
ALA A 293
 None
None
None
NAD  A1407 (-3.6A)
 1.23A 5i3bB-4cpdA:
undetectable		 5i3bB-4cpdA:
22.76
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		4 / 5 ALA A 214
ALA A 198
ILE A 185
LEU A 182
 None
 0.54A 5jncD-4cpdA:
undetectable		 5jncD-4cpdA:
21.55
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.
5N0O_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A 185
GLY A 181
VAL A 266
ALA A 214
VAL A 172
 None
None
NAD  A1407 (-4.0A)
None
None
 1.16A 5n0oA-4cpdA:
2.4		 5n0oA-4cpdA:
23.13
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.
5N0R_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A 185
GLY A 181
VAL A 266
ALA A 214
VAL A 172
 None
None
NAD  A1407 (-4.0A)
None
None
 1.15A 5n0rA-4cpdA:
1.6		 5n0rA-4cpdA:
23.78
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.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A 185
GLY A 181
ALA A 209
ILE A 215
ALA A 214
 None
 1.02A 5n0tB-4cpdA:
1.9		 5n0tB-4cpdA:
23.78
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.
5N0W_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A 185
GLY A 181
VAL A 266
ALA A 214
VAL A 172
 None
None
NAD  A1407 (-4.0A)
None
None
 1.16A 5n0wA-4cpdA:
3.5		 5n0wA-4cpdA:
23.78
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.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 12 ILE A 185
GLY A 181
VAL A 266
ALA A 214
VAL A 172
 None
None
NAD  A1407 (-4.0A)
None
None
 1.22A 5n0xB-4cpdA:
2.6		 5n0xB-4cpdA:
23.78
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.
5OG9_A_TESA504_1
(-)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		4 / 8 ILE A 290
VAL A 263
ILE A 175
LEU A 254
 None
 0.74A 5og9A-4cpdA:
undetectable		 5og9A-4cpdA:
21.08
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.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		3 / 3 GLY A 246
THR A 249
GLU A 242
 None
 0.63A 6b58A-4cpdA:
4.5		 6b58A-4cpdA:
23.40
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.
6C2M_B_SUEB1202_1
(NS3 PROTEASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		5 / 9 VAL A  82
LEU A 305
ARG A 136
ALA A 304
ASP A 300
 None
 1.04A 6c2mB-4cpdA:
undetectable		 6c2mB-4cpdA:
15.48
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.
6CK2_C_IPHC101_0
(INSULIN A CHAIN
INSULIN B CHAIN)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		4 / 4 ILE A  87
LEU A 126
HIS A  59
ALA A 121
 None
None
ZN  A1200 (-3.4A)
None
 0.95A 6ck2C-4cpdA:
undetectable
6ck2D-4cpdA:
undetectable		 6ck2C-4cpdA:
8.08
6ck2D-4cpdA:
11.07
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.
6MKE_D_FK5D201_0
(PEPTIDYLPROLYL
ISOMERASE)		 4cpd ALCOHOL
DEHYDROGENASE
(Thermus
sp.
ATN1) 		4 / 4 ASP A  41
ILE A  49
PRO A  50
LEU A  44
 None
 1.21A 6mkeA-4cpdA:
undetectable		 6mkeA-4cpdA:
13.17