SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2xbl'

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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 6 ALA A  31
LYS A  35
ASP A  38
ALA A  39
 PG4  A1199 (-3.3A)
PG4  A1199 (-2.9A)
None
None
 0.42A 1iwhA-2xblA:
undetectable		 1iwhA-2xblA:
21.94
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.
2O4P_A_TPVA300_2
(PROTEASE)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		5 / 9 ARG A 157
LEU A 163
VAL A  33
GLY A 177
ILE A 174
 None
 1.01A 2o4pB-2xblA:
undetectable		 2o4pB-2xblA:
20.00
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.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		5 / 11 VAL A 180
LEU A 181
GLY A 177
ILE A 174
SER A 168
 None
 1.27A 3bjwB-2xblA:
undetectable		 3bjwB-2xblA:
19.70
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		5 / 11 VAL A 180
LEU A 181
GLY A 177
ILE A 174
SER A 168
 None
 1.25A 3bjwH-2xblA:
undetectable		 3bjwH-2xblA:
19.70
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.
3DQT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.14A 3dqtA-2xblA:
undetectable
3dqtB-2xblA:
undetectable		 3dqtA-2xblA:
20.00
3dqtB-2xblA:
20.00
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.
3EKQ_A_ROCA100_2
(PROTEASE)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		5 / 9 ARG A 157
LEU A 163
VAL A  33
GLY A 177
ILE A 174
 None
 1.00A 3ekqB-2xblA:
undetectable		 3ekqB-2xblA:
19.49
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.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 5 ASN A 130
THR A 171
SER A 123
ARG A 152
 None
M7P  A1198 (-3.7A)
M7P  A1198 (-2.6A)
None
 1.34A 3hlwB-2xblA:
undetectable		 3hlwB-2xblA:
23.25
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.
3N5T_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 SER A 106
VAL A 109
PHE A 135
GLU A 137
 None
 1.17A 3n5tA-2xblA:
undetectable
3n5tB-2xblA:
undetectable		 3n5tA-2xblA:
19.19
3n5tB-2xblA:
19.19
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.
3N61_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.15A 3n61A-2xblA:
undetectable
3n61B-2xblA:
undetectable		 3n61A-2xblA:
17.84
3n61B-2xblA:
17.84
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.
3NLR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 8 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.12A 3nlrA-2xblA:
undetectable
3nlrB-2xblA:
undetectable		 3nlrA-2xblA:
17.84
3nlrB-2xblA:
17.84
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.
3TBG_C_RTZC1_1
(CYTOCHROME P450 2D6)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		5 / 12 LEU A 179
GLY A  67
GLU A  68
ASP A  61
PHE A  73
 None
None
ZN  A1197 ( 2.2A)
None
None
 1.22A 3tbgC-2xblA:
2.5		 3tbgC-2xblA:
18.57
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.
4K5J_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.13A 4k5jA-2xblA:
undetectable
4k5jB-2xblA:
undetectable		 4k5jA-2xblA:
19.81
4k5jB-2xblA:
19.81
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.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 5 ILE A 120
VAL A  50
PHE A 194
HIS A 178
 None
 1.28A 4rzvA-2xblA:
undetectable		 4rzvA-2xblA:
21.62
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.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.10A 5adlA-2xblA:
undetectable
5adlB-2xblA:
undetectable		 5adlA-2xblA:
19.81
5adlB-2xblA:
19.81
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.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.14A 5fj3A-2xblA:
undetectable
5fj3B-2xblA:
undetectable		 5fj3A-2xblA:
19.81
5fj3B-2xblA:
19.81
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.
5MUO_D_PFLD402_1
(PROTON-GATED ION
CHANNEL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		5 / 9 SER A  58
SER A 128
ILE A 131
SER A 125
THR A 171
 M7P  A1198 ( 4.2A)
M7P  A1198 (-2.5A)
None
M7P  A1198 (-2.6A)
M7P  A1198 (-3.7A)
 1.26A 5muoA-2xblA:
undetectable
5muoB-2xblA:
undetectable
5muoC-2xblA:
undetectable
5muoD-2xblA:
undetectable
5muoE-2xblA:
1.0		 5muoA-2xblA:
25.78
5muoB-2xblA:
25.78
5muoC-2xblA:
25.78
5muoD-2xblA:
25.78
5muoE-2xblA:
25.78
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.
5VV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.15A 5vv7A-2xblA:
undetectable
5vv7B-2xblA:
undetectable		 5vv7A-2xblA:
19.81
5vv7B-2xblA:
19.81
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.
5VVN_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.11A 5vvnA-2xblA:
undetectable
5vvnB-2xblA:
undetectable		 5vvnA-2xblA:
19.81
5vvnB-2xblA:
19.81
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.
6AV6_B_H4BB501_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 SER A 106
VAL A 109
PHE A 135
GLU A 137
 None
 1.19A 6av6A-2xblA:
undetectable
6av6B-2xblA:
undetectable		 6av6A-2xblA:
17.98
6av6B-2xblA:
17.98
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.
6AV6_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.18A 6av6C-2xblA:
undetectable
6av6D-2xblA:
undetectable		 6av6C-2xblA:
17.98
6av6D-2xblA:
17.98
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.
6AV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 7 SER A 106
VAL A 109
PHE A 135
GLU A 137
 None
 1.19A 6av7A-2xblA:
undetectable
6av7B-2xblA:
undetectable		 6av7A-2xblA:
17.98
6av7B-2xblA:
17.98