SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1vqv'

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.
1FKO_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 10 LEU A  86
VAL A  60
VAL A 104
TYR A 101
GLY A  61
 None
 0.99A 1fkoA-1vqvA:
0.6		 1fkoA-1vqvA:
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.
1WG8_A_SAMA3142_1
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 4 HIS A 218
ASP A 207
ASN A  68
ASP A 210
 None
 1.47A 1wg8A-1vqvA:
1.1		 1wg8A-1vqvA:
23.56
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.
1WG8_B_SAMB3141_1
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 HIS A 218
ASP A 207
ASN A  68
 None
 0.71A 1wg8B-1vqvA:
undetectable		 1wg8B-1vqvA:
23.56
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.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 8 TYR A 247
TYR A 243
TYR A 174
HIS A 185
 None
 1.47A 2ha2A-1vqvA:
undetectable		 2ha2A-1vqvA:
18.00
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.
2PLW_A_SAMA203_1
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 SER A 205
ASP A  27
ASP A 207
 None
 0.79A 2plwA-1vqvA:
undetectable		 2plwA-1vqvA:
21.78
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 4 ARG A 106
GLY A  61
GLU A  58
SER A  70
 PO4  A1002 (-3.7A)
None
PO4  A1002 (-0.7A)
None
 1.38A 2xctS-1vqvA:
undetectable
2xctU-1vqvA:
undetectable		 2xctS-1vqvA:
17.13
2xctU-1vqvA:
17.13
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 7 VAL A 151
ASN A 203
GLY A 144
VAL A 225
 None
 0.80A 2y05A-1vqvA:
undetectable
2y05B-1vqvA:
undetectable		 2y05A-1vqvA:
21.74
2y05B-1vqvA:
21.74
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.
3HCP_B_CHDB4_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 GLY A 158
PRO A 251
LEU A 236
 None
 0.64A 3hcpB-1vqvA:
undetectable		 3hcpB-1vqvA:
21.78
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 LEU A 256
PHE A 257
GLY A 258
GLY A 158
ILE A 229
 None
 0.92A 3nk7B-1vqvA:
undetectable		 3nk7B-1vqvA:
23.48
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A 163
LEU A 168
GLU A 239
ALA A 162
TYR A 254
 None
None
PO4  A1001 (-2.6A)
None
None
 1.21A 3sxjA-1vqvA:
undetectable		 3sxjA-1vqvA:
22.19
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.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A 163
LEU A 168
GLU A 239
ALA A 162
TYR A 254
 None
None
PO4  A1001 (-2.6A)
None
None
 1.20A 3sxjB-1vqvA:
undetectable		 3sxjB-1vqvA:
22.19
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.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 HIS A 218
VAL A 151
LEU A 265
 None
 0.60A 4m2vA-1vqvA:
undetectable		 4m2vA-1vqvA:
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.
4R87_E_SPME202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 5 GLU A 173
GLU A 172
GLU A 175
GLU A 178
 None
 1.30A 4r87E-1vqvA:
undetectable		 4r87E-1vqvA:
20.37
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A  77
GLY A  76
ALA A  74
ILE A  65
ASN A  68
 None
 0.95A 4rtmA-1vqvA:
undetectable		 4rtmA-1vqvA:
21.71
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.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 4 GLY A 134
VAL A  72
PHE A 110
ILE A 192
 None
 0.94A 4xv2B-1vqvA:
undetectable		 4xv2B-1vqvA:
22.35
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.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 5 GLY A 158
ARG A 161
GLY A 163
GLU A 165
 None
 1.12A 4z2eB-1vqvA:
undetectable
4z2eC-1vqvA:
undetectable		 4z2eB-1vqvA:
21.48
4z2eC-1vqvA:
24.04
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.
5DNU_A_BEZA319_0
(SHKAI2IB)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 5 HIS A  50
ILE A 126
ILE A 128
TYR A  96
 None
 1.08A 5dnuA-1vqvA:
undetectable		 5dnuA-1vqvA:
21.53
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.
5DNV_A_BEZA304_0
(SHKAI2IB)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 5 HIS A  50
ILE A 126
ILE A 128
TYR A  96
 None
 1.07A 5dnvA-1vqvA:
undetectable		 5dnvA-1vqvA:
21.53
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.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 PRO A  57
LEU A  86
SER A  95
 None
 0.75A 5fsaB-1vqvA:
undetectable		 5fsaB-1vqvA:
23.45
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.
5HHJ_A_GLYA403_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 4 LEU A 240
LEU A 181
GLY A 163
GLU A 165
 None
 1.16A 5hhjA-1vqvA:
undetectable		 5hhjA-1vqvA:
20.77
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.
5KLA_A_ACTA1505_0
(MATERNAL PROTEIN
PUMILIO)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 HIS A 268
LYS A 270
PHE A 152
 None
 1.49A 5klaA-1vqvA:
undetectable		 5klaA-1vqvA:
21.43
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 ARG A 161
LYS A 249
TYR A 243
 None
 1.35A 6gnaA-1vqvA:
undetectable		 6gnaA-1vqvA:
23.95
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.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 1vqv THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 ARG A 161
LYS A 249
TYR A 243
 None
 1.35A 6gnbA-1vqvA:
undetectable		 6gnbA-1vqvA:
23.95