SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3tkk'

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.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		4 / 4 HIS A 244
VAL A 243
THR A 258
LEU A 264
 None
 1.37A 1oq5A-3tkkA:
undetectable		 1oq5A-3tkkA:
20.80
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.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		4 / 5 GLY A 201
PRO A 130
VAL A 128
ILE A 113
 None
 0.95A 2aoiA-3tkkA:
undetectable		 2aoiA-3tkkA:
18.51
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.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 10 LEU A 205
GLY A 133
VAL A 134
VAL A  77
ILE A  79
 None
CA  A 302 ( 4.8A)
None
None
None
 0.99A 3oxwD-3tkkA:
undetectable		 3oxwD-3tkkA:
17.67
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.
3U9F_H_CLMH221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 12 PHE A  14
LEU A 205
VAL A 207
VAL A  32
PHE A 169
 None
 1.09A 3u9fH-3tkkA:
undetectable
3u9fI-3tkkA:
undetectable		 3u9fH-3tkkA:
20.66
3u9fI-3tkkA:
20.66
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		4 / 7 VAL A  32
ILE A  64
ILE A  22
ALA A  21
 None
 0.85A 4lv9A-3tkkA:
undetectable		 4lv9A-3tkkA:
22.89
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		4 / 7 VAL A  32
ILE A  64
ILE A  22
ALA A  21
 None
 0.83A 4lv9B-3tkkA:
undetectable		 4lv9B-3tkkA:
22.89
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.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		4 / 5 TYR A 168
LEU A 183
THR A 158
MET A 156
 None
 1.30A 4mbsB-3tkkA:
undetectable		 4mbsB-3tkkA:
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.
4MMD_A_29EA603_1
(TRANSPORTER)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 10 ASP A 182
VAL A  84
ALA A  85
GLY A 196
GLY A  88
 ZN  A 301 ( 2.4A)
None
None
None
None
 1.32A 4mmdA-3tkkA:
undetectable		 4mmdA-3tkkA:
19.89
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.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 11 ALA A 230
THR A 282
ALA A 238
GLY A 153
SER A 151
 None
 1.12A 4qvwK-3tkkA:
undetectable
4qvwL-3tkkA:
undetectable		 4qvwK-3tkkA:
20.89
4qvwL-3tkkA:
23.20
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.
4QVW_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 11 ALA A 230
THR A 282
ALA A 238
GLY A 153
SER A 151
 None
 1.11A 4qvwY-3tkkA:
undetectable
4qvwZ-3tkkA:
undetectable		 4qvwY-3tkkA:
20.89
4qvwZ-3tkkA:
23.20
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.
4QWU_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 11 CYH A  37
GLY A 193
THR A  92
ALA A  91
ASP A  50
 ZN  A 301 ( 3.2A)
None
None
None
None
 1.39A 4qwuH-3tkkA:
undetectable
4qwuI-3tkkA:
undetectable		 4qwuH-3tkkA:
21.47
4qwuI-3tkkA:
23.13
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 9 ALA A 230
THR A 282
ALA A 238
GLY A 153
GLY A 150
 None
 1.18A 4qwuK-3tkkA:
undetectable
4qwuL-3tkkA:
undetectable		 4qwuK-3tkkA:
20.77
4qwuL-3tkkA:
23.20
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.
4QWU_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 11 CYH A  37
GLY A 193
THR A  92
ALA A  91
ASP A  50
 ZN  A 301 ( 3.2A)
None
None
None
None
 1.40A 4qwuV-3tkkA:
undetectable
4qwuW-3tkkA:
undetectable		 4qwuV-3tkkA:
21.47
4qwuW-3tkkA:
23.13
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.
4QWU_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 9 ALA A 230
THR A 282
ALA A 238
GLY A 153
GLY A 150
 None
 1.15A 4qwuY-3tkkA:
undetectable
4qwuZ-3tkkA:
undetectable		 4qwuY-3tkkA:
20.77
4qwuZ-3tkkA:
23.20
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 12 THR A 282
GLY A 153
GLY A 150
LEU A 180
THR A  34
 None
 0.91A 4uckA-3tkkA:
undetectable		 4uckA-3tkkA:
21.55
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 12 THR A 282
GLY A 153
GLY A 150
LEU A 180
THR A  34
 None
 0.92A 4uckB-3tkkA:
undetectable		 4uckB-3tkkA:
21.55
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.
5Z84_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		4 / 5 ILE A 135
PHE A 169
ARG A 284
THR A 222
 None
 1.12A 5z84N-3tkkA:
undetectable
5z84W-3tkkA:
undetectable		 5z84N-3tkkA:
19.31
5z84W-3tkkA:
11.43
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.
6EBP_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 9 LEU A 160
THR A 159
GLY A 190
ILE A 273
ILE A 229
 None
 1.18A 6ebpA-3tkkA:
undetectable		 6ebpA-3tkkA:
10.86
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.
6EBP_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		5 / 10 LEU A 160
THR A 159
GLY A 190
ILE A 273
ILE A 229
 None
 1.20A 6ebpC-3tkkA:
undetectable		 6ebpC-3tkkA:
10.86
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.
6FGC_A_ACTA810_0
(GEPHYRIN)		 3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE
(Caldanaerobacter
subterraneus) 		3 / 3 LEU A 264
SER A 266
PHE A 265
 None
 0.66A 6fgcA-3tkkA:
undetectable		 6fgcA-3tkkA:
24.07