SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3k94'

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.
1B2I_A_AMHA84_1
(PROTEIN
(PLASMINOGEN))		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 7 ASP A  21
TRP A  27
PHE A  99
ARG A  97
 None
None
None
CSO  A  95 ( 3.7A)
 1.23A 1b2iA-3k94A:
undetectable		 1b2iA-3k94A:
16.33
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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 7 PHE A  66
ALA A  40
GLU A  39
LEU A  37
 None
 0.94A 1hk2A-3k94A:
undetectable		 1hk2A-3k94A:
16.20
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 7 THR A 183
SER A 182
SER A 187
TYR A 171
 None
None
CSO  A 185 ( 3.2A)
None
 1.00A 1ibgL-3k94A:
undetectable		 1ibgL-3k94A:
19.41
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		5 / 11 GLY A   9
GLY A 103
ARG A  11
LEU A  13
GLY A  33
 None
 1.12A 1jg3A-3k94A:
undetectable		 1jg3A-3k94A:
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		5 / 11 GLY A   9
GLY A 103
ARG A  11
LEU A  13
GLY A  33
 None
 1.09A 1jg3B-3k94A:
undetectable		 1jg3B-3k94A:
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.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		5 / 12 GLY A 104
LEU A  98
GLY A   9
ASP A  31
LEU A 115
 None
 1.03A 2nxeB-3k94A:
undetectable		 2nxeB-3k94A:
20.22
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.
2V0Z_O_C41O1327_2
(RENIN)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 8 SER A 182
THR A 183
PRO A 156
LEU A 204
 None
 1.05A 2v0zO-3k94A:
undetectable		 2v0zO-3k94A:
18.46
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.
2Y69_C_CHDC1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.31A 2y69C-3k94A:
undetectable
2y69J-3k94A:
undetectable		 2y69C-3k94A:
22.10
2y69J-3k94A:
17.49
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.
2Y69_P_CHDP1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.33A 2y69P-3k94A:
undetectable
2y69W-3k94A:
undetectable		 2y69P-3k94A:
22.10
2y69W-3k94A:
17.49
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		5 / 12 GLY A 104
LEU A  98
GLY A   9
ASP A  31
LEU A 115
 None
 1.02A 2zbpA-3k94A:
undetectable		 2zbpA-3k94A:
20.22
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.
3ABM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.30A 3abmC-3k94A:
undetectable
3abmJ-3k94A:
undetectable		 3abmC-3k94A:
22.10
3abmJ-3k94A:
15.61
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.
3ABM_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.24A 3abmP-3k94A:
undetectable
3abmW-3k94A:
undetectable		 3abmP-3k94A:
22.10
3abmW-3k94A:
15.61
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.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.25A 3ag3C-3k94A:
undetectable
3ag3J-3k94A:
undetectable		 3ag3C-3k94A:
22.10
3ag3J-3k94A:
15.61
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.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		5 / 12 ILE A 203
LEU A 133
LEU A 116
LYS A 118
VAL A 157
 None
 1.19A 3ix9B-3k94A:
undetectable		 3ix9B-3k94A:
21.33
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.
3KU1_H_SAMH226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		5 / 12 LEU A  17
GLY A  29
VAL A  71
GLY A  49
LEU A  54
 None
 1.03A 3ku1H-3k94A:
undetectable		 3ku1H-3k94A:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 8 TYR A 171
LEU A 173
SER A 187
ASN A 188
 None
CSO  A 176 ( 3.9A)
CSO  A 185 ( 3.2A)
None
 0.91A 3lm8A-3k94A:
31.0
3lm8C-3k94A:
30.4		 3lm8A-3k94A:
55.31
3lm8C-3k94A:
55.31
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.
3SI7_C_ACTC4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 4 GLY A   7
GLY A  33
THR A  36
LEU A  17
 None
 0.77A 3si7C-3k94A:
undetectable
3si7D-3k94A:
undetectable		 3si7C-3k94A:
23.20
3si7D-3k94A:
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.
3SI7_C_ACTC4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 4 GLY A   8
GLY A  33
THR A  36
LEU A  14
 None
 0.93A 3si7C-3k94A:
undetectable
3si7D-3k94A:
undetectable		 3si7C-3k94A:
23.20
3si7D-3k94A:
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.
4OKW_A_198A1001_2
(ANDROGEN RECEPTOR)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 7 LEU A 117
LEU A  98
LEU A 133
ILE A  96
 None
None
None
CSO  A  95 ( 3.9A)
 1.01A 4okwA-3k94A:
undetectable		 4okwA-3k94A:
20.38
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.
5BYK_A_OAQA302_0
(SULFOTRANSFERASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		5 / 12 PRO A  10
ILE A 126
LEU A  13
LEU A 116
MET A  81
 None
 1.27A 5bykA-3k94A:
undetectable		 5bykA-3k94A:
21.40
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.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 8 PRO A  15
TYR A  20
SER A 209
ASN A 131
 None
 1.10A 5l1fA-3k94A:
2.3
5l1fB-3k94A:
2.4		 5l1fA-3k94A:
13.03
5l1fB-3k94A:
13.03
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.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.26A 5wauC-3k94A:
undetectable
5wauJ-3k94A:
undetectable		 5wauC-3k94A:
22.10
5wauJ-3k94A:
15.61
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.
5WAU_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.26A 5wauc-3k94A:
undetectable
5wauj-3k94A:
undetectable		 5wauc-3k94A:
22.10
5wauj-3k94A:
15.61
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.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.24A 5xdqC-3k94A:
undetectable
5xdqJ-3k94A:
undetectable		 5xdqC-3k94A:
22.10
5xdqJ-3k94A:
15.61
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.
5XDQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 5 PHE A 199
PHE A 164
LEU A 166
PHE A 169
 None
 1.24A 5xdqP-3k94A:
undetectable
5xdqW-3k94A:
undetectable		 5xdqP-3k94A:
22.10
5xdqW-3k94A:
15.61