SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bex'

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.
1AV2_C_DVAC6_0
(GRAMICIDIN A)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		3 / 3 ALA A 104
VAL A  59
TRP A  84
 None
 0.83A 1av2C-3bexA:
undetectable
1av2D-3bexA:
undetectable		 1av2C-3bexA:
15.15
1av2D-3bexA:
15.15
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.
1DZ8_B_CAMB502_0
(CYTOCHROME P450-CAM)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 9 THR A 235
VAL A  62
GLY A   8
THR A  10
ASP A 125
 None
PAU  A 248 ( 4.4A)
PO4  A 247 (-3.5A)
PO4  A 247 (-3.6A)
None
 1.39A 1dz8B-3bexA:
undetectable		 1dz8B-3bexA:
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.
1DZ9_B_CAMB502_0
(CYTOCHROME P450-CAM)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 9 THR A 235
VAL A  62
GLY A   8
THR A  10
ASP A 125
 None
PAU  A 248 ( 4.4A)
PO4  A 247 (-3.5A)
PO4  A 247 (-3.6A)
None
 1.39A 1dz9B-3bexA:
undetectable		 1dz9B-3bexA:
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.
1HK3_A_T44A3002_1
(SERUM ALBUMIN)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		4 / 8 GLN A  66
ASN A  67
ARG A  72
SER A  74
 None
 0.96A 1hk3A-3bexA:
undetectable		 1hk3A-3bexA:
17.43
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.
1W5U_C_DVAC6_0
(GRAMICIDIN D)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		3 / 3 ALA A 104
VAL A  59
TRP A  84
 None
 0.80A 1w5uC-3bexA:
undetectable
1w5uD-3bexA:
undetectable		 1w5uC-3bexA:
15.15
1w5uD-3bexA:
15.15
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.
1Z2B_C_VLBC800_2
(TUBULIN ALPHA CHAIN)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		4 / 5 PRO A 170
VAL A 188
ASN A 189
ILE A 220
 None
 0.97A 1z2bC-3bexA:
undetectable		 1z2bC-3bexA:
19.29
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 7 THR A 235
VAL A  62
GLY A   8
THR A  10
ASP A 125
 None
PAU  A 248 ( 4.4A)
PO4  A 247 (-3.5A)
PO4  A 247 (-3.6A)
None
 1.40A 2a1mA-3bexA:
undetectable		 2a1mA-3bexA:
19.33
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.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 9 THR A 130
LEU A 195
VAL A 192
VAL A 168
ILE A 220
 None
 1.16A 2a1oB-3bexA:
undetectable		 2a1oB-3bexA:
19.33
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.
2A3B_B_CFFB2434_1
(CHITINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		4 / 6 GLU A 116
TYR A 117
ASP A 233
ARG A  25
 None
 1.45A 2a3bB-3bexA:
undetectable		 2a3bB-3bexA:
19.95
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.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		4 / 7 GLY A  56
SER A  81
SER A  74
GLU A  71
 None
 0.94A 2c8aB-3bexA:
undetectable		 2c8aB-3bexA:
21.51
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.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		4 / 7 GLY A  56
SER A  81
SER A  74
GLU A  71
 None
 0.97A 2c8aD-3bexA:
undetectable		 2c8aD-3bexA:
21.51
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		4 / 7 ASN A 109
ASP A 133
THR A 128
GLY A 127
 None
None
PO4  A 247 (-3.7A)
PO4  A 247 ( 3.8A)
 0.88A 2f6dA-3bexA:
undetectable		 2f6dA-3bexA:
20.91
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.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.50A 2f9wA-3bexA:
24.7
2f9wB-3bexA:
25.0		 2f9wA-3bexA:
27.37
2f9wB-3bexA:
27.37
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.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 8 GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.49A 2f9wA-3bexA:
24.7
2f9wB-3bexA:
25.0		 2f9wA-3bexA:
27.37
2f9wB-3bexA:
27.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		6 / 10 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 0.00A 3bexA-3bexA:
43.0
3bexB-3bexA:
41.8		 3bexA-3bexA:
100.00
3bexB-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		6 / 9 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 0.03A 3bexA-3bexA:
43.0
3bexB-3bexA:
41.8		 3bexA-3bexA:
100.00
3bexB-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.05A 3bexC-3bexA:
41.7
3bexD-3bexA:
41.8		 3bexC-3bexA:
100.00
3bexD-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 10 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.04A 3bexC-3bexA:
41.7
3bexD-3bexA:
41.8		 3bexC-3bexA:
100.00
3bexD-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 10 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.05A 3bexE-3bexA:
41.1
3bexF-3bexA:
41.3		 3bexE-3bexA:
100.00
3bexF-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.04A 3bexE-3bexA:
41.1
3bexF-3bexA:
41.3		 3bexE-3bexA:
100.00
3bexF-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.21A 3bf1A-3bexA:
41.3
3bf1B-3bexA:
41.2		 3bf1A-3bexA:
100.00
3bf1B-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 11 ILE A 183
THR A 160
LYS A 162
LEU A 163
THR A 179
 None
 1.41A 3bf1A-3bexA:
41.3
3bf1B-3bexA:
41.2		 3bf1A-3bexA:
100.00
3bf1B-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		8 / 12 ASN A   9
VAL A  62
VAL A 102
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 ( 4.0A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.26A 3bf1A-3bexA:
41.3
3bf1B-3bexA:
41.2		 3bf1A-3bexA:
100.00
3bf1B-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.09A 3bf1C-3bexA:
41.3
3bf1D-3bexA:
41.2		 3bf1C-3bexA:
100.00
3bf1D-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.10A 3bf1C-3bexA:
41.3
3bf1D-3bexA:
41.2		 3bf1C-3bexA:
100.00
3bf1D-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.08A 3bf1E-3bexA:
40.7
3bf1F-3bexA:
40.9		 3bf1E-3bexA:
100.00
3bf1F-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.10A 3bf1E-3bexA:
40.7
3bf1F-3bexA:
40.9		 3bf1E-3bexA:
100.00
3bf1F-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 11 THR A 160
LYS A 162
LEU A 163
THR A 179
ILE A 183
 None
 1.40A 3bf1E-3bexA:
40.7
3bf1F-3bexA:
40.9		 3bf1E-3bexA:
100.00
3bf1F-3bexA:
100.00
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.
3GWX_A_EPAA1_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 12 THR A 130
THR A 131
ILE A 202
ILE A 199
TYR A 140
 None
PAU  A 248 (-4.5A)
None
None
None
 1.29A 3gwxA-3bexA:
undetectable		 3gwxA-3bexA:
22.03
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.
3L8L_C_DVAC6_0
(GRAMICIDIN D)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		3 / 3 ALA A 104
VAL A  59
TRP A  84
 None
 0.74A 3l8lC-3bexA:
undetectable
3l8lD-3bexA:
undetectable		 3l8lC-3bexA:
15.15
3l8lD-3bexA:
15.15
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.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 11 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.14A 4eilA-3bexA:
undetectable		 4eilA-3bexA:
19.72
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.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 10 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.27A 4eilB-3bexA:
undetectable		 4eilB-3bexA:
19.72
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.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 11 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.07A 4eilC-3bexA:
undetectable		 4eilC-3bexA:
19.72
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.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 11 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.12A 4eilE-3bexA:
undetectable		 4eilE-3bexA:
19.72
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.
4K50_A_ACTA506_0
(RNA POLYMERASE
3D-POL)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		3 / 3 VAL A  92
GLY A  90
LYS A  88
 None
 0.53A 4k50A-3bexA:
undetectable		 4k50A-3bexA:
18.88
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.
4K50_E_ACTE504_0
(RNA POLYMERASE
3D-POL)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		3 / 3 VAL A  92
GLY A  90
LYS A  88
 None
 0.48A 4k50E-3bexA:
undetectable		 4k50E-3bexA:
18.88
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.
4K50_I_ACTI504_0
(RNA POLYMERASE
3D-POL)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		3 / 3 VAL A  92
GLY A  90
LYS A  88
 None
 0.55A 4k50I-3bexA:
undetectable		 4k50I-3bexA:
18.88
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 12 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.19A 4kyaB-3bexA:
undetectable		 4kyaB-3bexA:
19.72
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.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 12 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.21A 4kyaD-3bexA:
undetectable		 4kyaD-3bexA:
19.72
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.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 12 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.24A 4kyaF-3bexA:
undetectable		 4kyaF-3bexA:
19.72
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 12 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.17A 4kyaH-3bexA:
undetectable		 4kyaH-3bexA:
19.72
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.
4L4C_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		4 / 8 THR A 130
VAL A 192
VAL A 168
ILE A 220
 None
 0.97A 4l4cB-3bexA:
undetectable		 4l4cB-3bexA:
19.33
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.34A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
TYR A 140
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
None
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 1.49A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.36A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
TYR A 140
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
None
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 1.48A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.35A 5b8hA-3bexA:
17.2
5b8hB-3bexA:
26.1		 5b8hA-3bexA:
25.08
5b8hB-3bexA:
25.08
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.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.37A 5b8hA-3bexA:
17.2
5b8hB-3bexA:
26.1		 5b8hA-3bexA:
25.08
5b8hB-3bexA:
25.08
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.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
TYR A 140
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
None
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 1.48A 5b8hA-3bexA:
17.2
5b8hB-3bexA:
26.1		 5b8hA-3bexA:
25.08
5b8hB-3bexA:
25.08
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.
5GQB_A_GCSA605_1
(CHITINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		3 / 3 TRP A  84
ILE A  57
SER A  74
 None
 0.91A 5gqbA-3bexA:
undetectable		 5gqbA-3bexA:
19.93
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 9 VAL A 111
GLY A  58
VAL A  59
GLY A  56
PRO A  82
 None
 1.39A 5zniA-3bexA:
undetectable		 5zniA-3bexA:
16.60
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.
6BZO_C_FI8C1201_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 12 ILE A 145
THR A 131
VAL A 111
VAL A 114
LYS A 115
 PAU  A 248 ( 4.3A)
PAU  A 248 (-4.5A)
None
None
None
 1.29A 6bzoC-3bexA:
undetectable		 6bzoC-3bexA:
11.90