SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3c9r'

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.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 8 TYR A 247
TYR A 243
TYR A 174
HIS A 185
 None
 1.46A 2ha2A-3c9rA:
undetectable		 2ha2A-3c9rA:
18.52
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.
2XFS_A_J01A500_1
(ORF12)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 8 LEU A 219
ARG A 142
GLY A 141
ALA A 204
 None
MG  A 310 (-4.9A)
None
None
 0.94A 2xfsA-3c9rA:
undetectable		 2xfsA-3c9rA:
22.77
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.
2XH9_A_J01A1436_1
(ORF12)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 8 LEU A 219
ARG A 142
GLY A 141
ALA A 204
 None
MG  A 310 (-4.9A)
None
None
 0.94A 2xh9A-3c9rA:
undetectable		 2xh9A-3c9rA:
22.60
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)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 LEU A 256
PHE A 257
GLY A 258
GLY A 158
ILE A 229
 None
 0.89A 3nk7B-3c9rA:
undetectable		 3nk7B-3c9rA:
22.53
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.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		3 / 3 ILE A 198
VAL A 140
ARG A 138
 None
 0.75A 3p73A-3c9rA:
0.9		 3p73A-3c9rA:
20.17
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.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A 158
GLY A 259
ASP A 261
GLU A 253
ALA A 255
 None
 1.32A 3t7sA-3c9rA:
undetectable		 3t7sA-3c9rA:
21.45
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A 158
GLY A 259
ASP A 261
GLU A 253
ALA A 255
 None
 1.34A 3t7sB-3c9rA:
undetectable		 3t7sB-3c9rA:
21.45
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A 258
GLY A 158
ASP A 261
SER A 209
GLU A 253
 None
None
None
MG  A 309 (-4.3A)
None
 1.12A 3t7sB-3c9rA:
undetectable		 3t7sB-3c9rA:
21.45
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A 158
GLY A 259
ASP A 261
GLU A 253
ALA A 255
 None
 1.36A 3t7sD-3c9rA:
undetectable		 3t7sD-3c9rA:
21.45
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A  77
GLY A  76
ALA A  74
ILE A  65
ASN A  68
 None
 0.96A 4rtmA-3c9rA:
undetectable		 4rtmA-3c9rA:
23.86
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.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 4 GLY A 134
VAL A  72
PHE A 110
ILE A 192
 None
 0.95A 4xv2B-3c9rA:
undetectable		 4xv2B-3c9rA:
21.45
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.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 5 GLY A 158
ARG A 161
GLY A 163
GLU A 165
 None
 1.20A 4z2eB-3c9rA:
undetectable
4z2eC-3c9rA:
undetectable		 4z2eB-3c9rA:
22.68
4z2eC-3c9rA:
24.13
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		5 / 9 ASP A 215
ASP A 210
ARG A 142
ASP A  71
ASP A  43
 None
MG  A 312 ( 2.3A)
MG  A 310 (-4.9A)
MG  A 309 (-2.4A)
MG  A 309 (-2.5A)
 1.49A 5eroB-3c9rA:
undetectable		 5eroB-3c9rA:
23.08
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.
5HHJ_A_GLYA403_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 4 LEU A 240
LEU A 181
GLY A 163
GLU A 165
 None
 1.22A 5hhjA-3c9rA:
undetectable		 5hhjA-3c9rA:
21.15
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 3c9r THIAMINE
MONOPHOSPHATE KINASE
(Aquifex
aeolicus) 		4 / 5 GLY A 211
ARG A 161
ASP A 215
GLN A 221
 None
 1.03A 5ubbA-3c9rA:
undetectable		 5ubbA-3c9rA:
21.43