SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2aqx'

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.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 8 TYR A 747
GLY A 874
TRP A 912
GLU A 797
 None
 0.98A 1jlfA-2aqxA:
undetectable
1jlfB-2aqxA:
undetectable		 1jlfA-2aqxA:
19.19
1jlfB-2aqxA:
21.21
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.
1LQT_B_ACTB1873_0
(FPRA)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		3 / 3 ASP A 731
ASP A 882
LYS A 662
 None
 1.01A 1lqtB-2aqxA:
undetectable		 1lqtB-2aqxA:
21.52
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.
1LQU_B_ACTB1430_0
(FPRA)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		3 / 3 ASP A 731
ASP A 882
LYS A 662
 None
 0.99A 1lquB-2aqxA:
undetectable		 1lquB-2aqxA:
21.52
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.
1RK3_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 4 LEU A 704
ILE A 929
ARG A 851
TYR A 921
 None
 1.25A 1rk3A-2aqxA:
undetectable		 1rk3A-2aqxA:
21.49
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.
2HC4_A_VDXA525_2
(VITAMIN D RECEPTOR)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 7 LEU A 704
ILE A 929
ARG A 851
TYR A 921
 None
 1.15A 2hc4A-2aqxA:
undetectable		 2hc4A-2aqxA:
20.30
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.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 7 THR A 798
THR A 802
ARG A 808
LYS A 824
 None
 1.21A 2kotA-2aqxA:
0.0		 2kotA-2aqxA:
15.55
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.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 5 LEU A 704
ILE A 929
ARG A 851
TYR A 921
 None
 1.24A 2zlcA-2aqxA:
0.0		 2zlcA-2aqxA:
22.93
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 8 TYR A 747
GLU A 751
VAL A 744
ARG A 745
 None
 0.98A 3b9lA-2aqxA:
undetectable		 3b9lA-2aqxA:
19.12
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_F_SVRF502_2
(PHOSPHOLIPASE A2)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 5 ILE A 863
SER A 864
PRO A 865
PHE A 866
 None
 1.08A 3bjwC-2aqxA:
undetectable		 3bjwC-2aqxA:
17.30
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.
3SFU_B_RBVB601_1
(RNA POLYMERASE)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		5 / 9 ASP A 930
ASN A 927
GLY A 924
ASP A 926
LEU A 861
 None
 1.36A 3sfuB-2aqxA:
undetectable		 3sfuB-2aqxA:
17.88
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 5 TYR A 921
SER A 876
ASP A 930
ILE A 931
 None
MG  A 600 ( 3.7A)
None
None
 1.29A 3uj7B-2aqxA:
undetectable		 3uj7B-2aqxA:
19.74
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 7 ILE A 873
GLY A 874
SER A 875
PHE A 867
 None
 0.82A 3v7pA-2aqxA:
undetectable		 3v7pA-2aqxA:
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.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 6 GLY A 915
TRP A 912
ARG A 756
ARG A 745
 None
 1.23A 4bqfA-2aqxA:
undetectable		 4bqfA-2aqxA:
16.11
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_I_SPMI202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 7 GLU A 750
GLU A 751
TYR A 747
GLU A 749
 None
 1.22A 4r87I-2aqxA:
undetectable		 4r87I-2aqxA:
18.66
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		5 / 12 LEU A 854
LEU A 877
MET A 742
LEU A 861
ILE A 857
 None
 1.08A 4x1gA-2aqxA:
undetectable		 4x1gA-2aqxA:
21.19
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		3 / 3 SER A 923
GLU A 797
GLU A 751
 None
 0.84A 4ymgB-2aqxA:
undetectable		 4ymgB-2aqxA:
21.90
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.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		4 / 6 SER A 800
GLY A 920
ASP A 919
GLY A 924
 None
 0.90A 5cdnR-2aqxA:
1.6
5cdnS-2aqxA:
undetectable		 5cdnR-2aqxA:
21.38
5cdnS-2aqxA:
22.18
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.
5IMS_B_ACTB713_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		3 / 3 GLY A 674
GLN A 668
LYS A 687
 None
 0.84A 5imsB-2aqxA:
undetectable		 5imsB-2aqxA:
17.82
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)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		3 / 3 ARG A 791
LYS A 782
TYR A 766
 None
 1.07A 6gnaA-2aqxA:
undetectable		 6gnaA-2aqxA:
20.72
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)		 2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B
(Mus
musculus) 		3 / 3 ARG A 791
LYS A 782
TYR A 766
 None
 1.07A 6gnbA-2aqxA:
undetectable		 6gnbA-2aqxA:
20.72