SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3a9i'

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.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		5 / 10 LEU A  11
VAL A  44
ILE A  42
LEU A  63
VAL A  59
 None
 1.21A 1cqpA-3a9iA:
undetectable
1cqpB-3a9iA:
undetectable		 1cqpA-3a9iA:
19.25
1cqpB-3a9iA:
19.25
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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.32A 1mj2B-3a9iA:
undetectable		 1mj2B-3a9iA:
18.30
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.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.30A 1mj2D-3a9iA:
undetectable		 1mj2D-3a9iA:
18.30
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.33A 1mjoB-3a9iA:
undetectable		 1mjoB-3a9iA:
18.30
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.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.34A 1mjoA-3a9iA:
undetectable		 1mjoA-3a9iA:
18.30
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.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.32A 1mjoD-3a9iA:
undetectable		 1mjoD-3a9iA:
18.30
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.
1UWH_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 6 ILE A  42
VAL A 158
ILE A 123
ASP A  92
 None
None
None
LYS  A 378 (-3.3A)
 0.82A 1uwhB-3a9iA:
undetectable		 1uwhB-3a9iA:
22.25
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.
1UWH_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 6 ILE A 231
VAL A 158
ILE A  91
ILE A 120
 None
 0.81A 1uwhB-3a9iA:
undetectable		 1uwhB-3a9iA:
22.25
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.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		5 / 9 THR A 220
PHE A  37
GLY A 235
ALA A 239
THR A 243
 None
 1.48A 3jusB-3a9iA:
undetectable		 3jusB-3a9iA:
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.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 6 GLY A 196
ARG A  12
GLU A 227
ARG A 228
 None
LYS  A 378 (-3.4A)
None
None
 1.39A 4bqfA-3a9iA:
undetectable		 4bqfA-3a9iA:
19.52
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 ALA A  79
VAL A  84
GLY A  90
THR A  71
 None
 1.07A 4ubeA-3a9iA:
2.1		 4ubeA-3a9iA:
22.03
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 6 ARG A  12
ASP A  92
VAL A 218
ASP A 219
 LYS  A 378 (-3.4A)
LYS  A 378 (-3.3A)
None
None
 1.37A 4xqeB-3a9iA:
undetectable		 4xqeB-3a9iA:
21.56
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.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 7 ILE A 204
VAL A 269
ILE A 222
PHE A  17
 None
 0.93A 5hieC-3a9iA:
undetectable		 5hieC-3a9iA:
22.28
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.
5WHY_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		5 / 11 PHE A  95
THR A  97
SER A 142
VAL A 179
VAL A 182
 None
 1.44A 5whyA-3a9iA:
3.0		 5whyA-3a9iA:
19.52
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.
5WHY_B_SAMB504_0
(RADICAL SAM DOMAIN
PROTEIN)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		5 / 10 PHE A  95
THR A  97
SER A 142
VAL A 179
VAL A 182
 None
 1.25A 5whyB-3a9iA:
3.4		 5whyB-3a9iA:
19.52
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 8 GLU A 193
ARG A  12
THR A  71
ILE A  91
 LYS  A 378 (-4.4A)
LYS  A 378 (-3.4A)
None
None
 1.01A 6a4iA-3a9iA:
undetectable		 6a4iA-3a9iA:
21.72