SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3aay'

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.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
5 / 12 ALA A 221
LEU A 217
LEU A 246
ILE A 161
HIS A 252
None
None
None
None
SO4  A 600 (-4.0A)
1.17A 1bsxA-3aayA:
undetectable
1bsxA-3aayA:
19.23
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.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
5 / 12 ALA A 221
LEU A 217
LEU A 246
ILE A 161
HIS A 252
None
None
None
None
SO4  A 600 (-4.0A)
1.17A 1bsxB-3aayA:
undetectable
1bsxB-3aayA:
19.23
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.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
5 / 12 PHE A  98
LEU A  82
THR A 133
ARG A  72
ILE A  43
None
1.24A 1mx8A-3aayA:
undetectable
1mx8A-3aayA:
16.55
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
5 / 12 GLY A 112
GLY A  85
VAL A   8
ASP A 110
ASN A  16
None
1.14A 1n2xA-3aayA:
undetectable
1n2xA-3aayA:
24.41
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
4 / 5 LEU A   7
ILE A  81
GLY A 112
HIS A 241
None
0.98A 2otfA-3aayA:
undetectable
2otfA-3aayA:
16.35
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
5 / 12 ALA A 193
VAL A 163
LEU A 246
ALA A 201
LEU A 217
None
CSO  A 233 ( 4.9A)
None
None
None
1.15A 3ozuA-3aayA:
3.1
3ozuA-3aayA:
21.14
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.
4IIZ_B_LURB201_1
(TRANSTHYRETIN)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
4 / 8 LYS A 107
THR A  79
LEU A 109
VAL A  22
None
0.86A 4iizB-3aayA:
undetectable
4iizB-3aayA:
20.07
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.
4Y1D_D_DVAD5_0
(CYCLIC HEXAPEPTIDE
CYC[NDPOPPKID]
INTEGRASE)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
3 / 3 GLU A  77
LYS A 105
ASN A  76
None
0.90A 4y1dA-3aayA:
undetectable
4y1dD-3aayA:
undetectable
4y1dA-3aayA:
21.28
4y1dD-3aayA:
4.35
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.
5C6P_A_4YHA601_1
(PROTEIN C)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
4 / 6 ALA A  92
SER A 240
GLN A  52
ASP A  28
None
None
GOL  A 701 (-3.6A)
None
1.18A 5c6pA-3aayA:
undetectable
5c6pA-3aayA:
20.69
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.
5I1N_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
3 / 3 ALA A  13
ASN A  16
LEU A  17
None
0.45A 5i1nC-3aayA:
undetectable
5i1nC-3aayA:
8.71
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.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
5 / 10 ILE A  74
GLY A 102
PHE A  98
SER A  66
VAL A 106
None
1.11A 5i6xA-3aayA:
undetectable
5i6xA-3aayA:
19.14
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.
6BRD_A_RFPA502_1
(RIFAMPIN
MONOOXYGENASE)
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis)
5 / 12 VAL A  27
LEU A 249
VAL A 245
THR A 207
GLY A 111
None
1.20A 6brdA-3aayA:
undetectable
6brdA-3aayA:
14.39