SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3efs'

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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		5 / 10 ALA A  28
SER A  13
LEU A   8
ALA A  31
ILE A   6
 None
BTN  A2001 (-2.7A)
None
None
None
 1.21A 1g5yC-3efsA:
undetectable		 1g5yC-3efsA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EJF_A_ADNA2001_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		4 / 7 ARG A  43
TRP A  45
ASN A 123
ALA A 137
 ATP  A1001 (-2.9A)
BTN  A2001 ( 3.7A)
ATP  A1001 (-2.8A)
ATP  A1001 (-3.4A)
 0.73A 2ejfA-3efsA:
28.0		 2ejfA-3efsA:
34.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		4 / 6 ARG A  43
TRP A  45
ASN A 123
ALA A 137
 ATP  A1001 (-2.9A)
BTN  A2001 ( 3.7A)
ATP  A1001 (-2.8A)
ATP  A1001 (-3.4A)
 0.42A 2ejfB-3efsA:
28.5		 2ejfB-3efsA:
34.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		5 / 7 ARG A  43
TRP A  45
LYS A 103
ASN A 123
ALA A 137
 ATP  A1001 (-2.9A)
BTN  A2001 ( 3.7A)
ATP  A1001 ( 3.1A)
ATP  A1001 (-2.8A)
ATP  A1001 (-3.4A)
 0.75A 2ejgA-3efsA:
28.0		 2ejgA-3efsA:
35.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EJG_B_ADNB1502_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		4 / 7 TRP A  45
LYS A 103
ASN A 123
ALA A 137
 BTN  A2001 ( 3.7A)
ATP  A1001 ( 3.1A)
ATP  A1001 (-2.8A)
ATP  A1001 (-3.4A)
 0.52A 2ejgB-3efsA:
28.1		 2ejgB-3efsA:
35.32
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		4 / 5 ILE A 129
ASP A 147
GLU A 142
VAL A 104
 None
 0.83A 4nkxC-3efsA:
undetectable		 4nkxC-3efsA:
19.59
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		4 / 5 ILE A 129
ASP A 147
GLU A 142
VAL A 104
 None
 0.83A 4nkxD-3efsA:
undetectable		 4nkxD-3efsA:
19.59
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.
4UBS_A_DIFA503_1
(PENTALENIC ACID
SYNTHASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		5 / 7 LEU A  52
THR A  14
ALA A  28
LEU A 158
LEU A 155
 None
BTN  A2001 (-4.0A)
None
None
None
 1.12A 4ubsA-3efsA:
undetectable		 4ubsA-3efsA:
21.57
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.
4UHX_A_LZUA3008_1
(ALDEHYDE OXIDASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		4 / 8 GLU A  10
ASP A  32
ARG A 150
TRP A  45
 None
None
SO4  A2003 (-3.7A)
BTN  A2001 ( 3.7A)
 1.21A 4uhxA-3efsA:
undetectable		 4uhxA-3efsA:
11.81
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.
4UHX_A_RTZA3009_1
(ALDEHYDE OXIDASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		4 / 8 GLU A  10
ASP A  32
ARG A 150
TRP A  45
 None
None
SO4  A2003 (-3.7A)
BTN  A2001 ( 3.7A)
 1.21A 4uhxA-3efsA:
undetectable		 4uhxA-3efsA:
11.81
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.
4Y0Q_A_PX9A201_0
(BETA-LACTOGLOBULIN)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		5 / 12 ILE A 161
LEU A 165
GLU A  62
VAL A 107
VAL A  97
 None
 0.94A 4y0qA-3efsA:
undetectable		 4y0qA-3efsA:
23.98
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.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		5 / 10 ILE A 161
VAL A 107
LEU A 108
PHE A  56
GLU A 110
 None
None
BTN  A2001 ( 4.1A)
None
None
 1.30A 5tixB-3efsA:
undetectable		 5tixB-3efsA:
24.80
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.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		5 / 10 PRO A  70
VAL A 107
LEU A 108
PHE A  56
GLU A 110
 None
None
BTN  A2001 ( 4.1A)
None
None
 1.34A 5tixB-3efsA:
undetectable		 5tixB-3efsA:
24.80
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.
5VEU_A_RITA602_2
(CYTOCHROME P450 3A5)		 3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE
(Aquifex
aeolicus) 		3 / 3 ARG A 160
PHE A  99
LEU A  91
 None
 0.84A 5veuA-3efsA:
undetectable		 5veuA-3efsA:
19.63