SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3s4y'

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.
1ICT_D_T44D129_2
(TRANSTHYRETIN)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		4 / 7 LEU A 172
THR A 231
THR A 197
VAL A 195
 None
 0.84A 1ictD-3s4yA:
undetectable		 1ictD-3s4yA:
17.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		5 / 8 TRP A 202
LEU A 204
SER A 216
SER A 218
ASN A 219
 None
 0.25A 1ig3A-3s4yA:
35.1
1ig3B-3s4yA:
35.6		 1ig3A-3s4yA:
82.20
1ig3B-3s4yA:
82.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IG3_B_VIBB501_1
(THIAMIN
PYROPHOSPHOKINASE)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		5 / 7 TRP A 202
LEU A 204
SER A 216
SER A 218
ASN A 219
 None
 0.21A 1ig3A-3s4yA:
35.1
1ig3B-3s4yA:
35.6		 1ig3A-3s4yA:
82.20
1ig3B-3s4yA:
82.20
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		5 / 12 GLY A 126
GLY A 127
ALA A 137
GLN A 134
GLY A 130
 None
None
None
TPP  A1301 ( 3.6A)
UNX  A 249 ( 3.5A)
 0.99A 2pkkA-3s4yA:
undetectable		 2pkkA-3s4yA:
21.66
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		5 / 12 PHE A  32
PHE A 101
ALA A 145
THR A 149
ILE A 122
 None
 1.48A 3ld6B-3s4yA:
undetectable		 3ld6B-3s4yA:
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.
3NAI_B_URFB521_1
(RNA DEPENDENT RNA
POLYMERASE)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		4 / 4 ARG A 131
ASP A  46
ASP A  73
ASP A  71
 TPP  A1301 (-3.3A)
CA  A1303 ( 3.3A)
TPP  A1301 (-2.5A)
CA  A1303 ( 2.8A)
 1.15A 3naiB-3s4yA:
undetectable		 3naiB-3s4yA:
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.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		4 / 7 LEU A 172
THR A 231
THR A 197
VAL A 195
 None
 0.96A 4ik7A-3s4yA:
undetectable		 4ik7A-3s4yA:
17.00
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.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		3 / 3 VAL A 226
THR A 228
ARG A 171
 None
 0.55A 5b2sB-3s4yA:
3.1		 5b2sB-3s4yA:
10.88
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.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		3 / 3 VAL A 226
THR A 228
ARG A 171
 None
 0.60A 5b2tB-3s4yA:
3.5		 5b2tB-3s4yA:
10.88
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.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		4 / 8 THR A 231
PHE A 143
VAL A 229
ILE A 186
 None
 1.16A 5vkqB-3s4yA:
undetectable
5vkqC-3s4yA:
undetectable		 5vkqB-3s4yA:
8.91
5vkqC-3s4yA:
8.91
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.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		4 / 5 TYR A 221
MET A 239
THR A 238
LEU A 161
 None
 1.40A 5x19J-3s4yA:
undetectable		 5x19J-3s4yA:
12.70
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		5 / 12 VAL A  22
LEU A 105
GLY A  48
PHE A  67
ASN A  69
 None
 1.11A 6drzA-3s4yA:
undetectable		 6drzA-3s4yA:
20.34
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.
6G31_B_ZOLB401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		4 / 6 ASP A  71
ASP A  73
GLN A  96
GLN A 134
 CA  A1303 ( 2.8A)
TPP  A1301 (-2.5A)
TPP  A1301 (-3.9A)
TPP  A1301 ( 3.6A)
 1.26A 6g31B-3s4yA:
undetectable		 6g31B-3s4yA:
17.14