SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3r9s'

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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 8 ALA A 118
LEU A 117
GLY A 145
GLY A 110
 EDO  A 265 (-4.5A)
None
None
BEZ  A 264 ( 4.7A)
 0.83A 1rukH-3r9sA:
undetectable
1rukL-3r9sA:
undetectable		 1rukH-3r9sA:
20.56
1rukL-3r9sA:
22.50
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.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		3 / 3 GLU A 114
THR A 113
LEU A 161
 BEZ  A 264 (-2.6A)
None
None
 0.66A 1v8bC-3r9sA:
undetectable		 1v8bC-3r9sA:
19.87
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_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 8 VAL A  92
ASP A 225
TYR A  91
THR A 113
 None
None
EDO  A 265 (-3.6A)
None
 1.03A 1z2bB-3r9sA:
undetectable		 1z2bB-3r9sA:
20.94
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.
1ZQ9_A_SAMA4000_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 12 HIS A  83
ILE A  35
GLY A  36
VAL A  53
ILE A  96
 None
None
None
None
EDO  A 265 (-4.4A)
 1.06A 1zq9A-3r9sA:
undetectable		 1zq9A-3r9sA:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		6 / 6 ALA A  67
ILE A  72
LEU A  78
GLU A 114
GLU A 134
ALA A 143
 BEZ  A 264 ( 3.7A)
None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-3.3A)
BEZ  A 264 (-3.5A)
 0.23A 3r9sC-3r9sA:
45.8		 3r9sC-3r9sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 6 ALA A  67
ILE A  72
LEU A  78
GLU A 134
ALA A 142
 BEZ  A 264 ( 3.7A)
None
None
BEZ  A 264 (-3.3A)
BEZ  A 264 (-4.2A)
 1.39A 3r9sC-3r9sA:
45.8		 3r9sC-3r9sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_A_BEZA264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		7 / 8 ALA A  67
ILE A  72
LEU A  78
GLU A 114
ALA A 142
ALA A 143
MET A 236
 BEZ  A 264 ( 3.7A)
None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-4.2A)
BEZ  A 264 (-3.5A)
None
 0.57A 3r9tA-3r9sA:
45.4		 3r9tA-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_A_BEZA264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		7 / 8 ALA A  67
ILE A  72
LEU A  78
GLU A 114
GLU A 134
ALA A 142
ALA A 143
 BEZ  A 264 ( 3.7A)
None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-3.3A)
BEZ  A 264 (-4.2A)
BEZ  A 264 (-3.5A)
 0.32A 3r9tA-3r9sA:
45.4		 3r9tA-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_B_BEZB264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		6 / 7 ILE A  72
LEU A  78
GLU A 114
ALA A 142
ALA A 143
MET A 236
 None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-4.2A)
BEZ  A 264 (-3.5A)
None
 0.62A 3r9tB-3r9sA:
45.9		 3r9tB-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_B_BEZB264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		6 / 7 ILE A  72
LEU A  78
GLU A 114
GLU A 134
ALA A 142
ALA A 143
 None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-3.3A)
BEZ  A 264 (-4.2A)
BEZ  A 264 (-3.5A)
 0.42A 3r9tB-3r9sA:
45.9		 3r9tB-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_C_BEZC264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 5 ALA A  67
GLU A 114
GLU A 134
ALA A 143
MET A 236
 BEZ  A 264 ( 3.7A)
BEZ  A 264 (-2.6A)
BEZ  A 264 (-3.3A)
BEZ  A 264 (-3.5A)
None
 0.58A 3r9tC-3r9sA:
45.3		 3r9tC-3r9sA:
99.63
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_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 5 LEU A 117
LEU A 132
GLY A 131
GLY A 110
 None
None
None
BEZ  A 264 ( 4.7A)
 0.70A 3si7C-3r9sA:
undetectable
3si7D-3r9sA:
undetectable		 3si7C-3r9sA:
21.40
3si7D-3r9sA:
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 5 LEU A 153
ALA A 173
PHE A 130
ASN A 180
 None
 1.35A 3uq6A-3r9sA:
2.8		 3uq6A-3r9sA:
21.21
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.
3VAQ_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 4 LEU A 153
ALA A 173
PHE A 130
ASN A 180
 None
 1.40A 3vaqA-3r9sA:
undetectable		 3vaqA-3r9sA:
21.92
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.
3VAS_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 4 LEU A 153
ALA A 173
PHE A 130
ASN A 180
 None
 1.35A 3vasA-3r9sA:
2.7		 3vasA-3r9sA:
21.31
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 12 GLY A 111
ALA A 143
ALA A 118
VAL A  92
ALA A 108
 BEZ  A 264 ( 4.4A)
BEZ  A 264 (-3.5A)
EDO  A 265 (-4.5A)
None
None
 1.38A 4df3A-3r9sA:
undetectable		 4df3A-3r9sA:
23.39
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 7 ALA A 124
PHE A 130
ALA A 108
ALA A 102
 None
 0.75A 4du2A-3r9sA:
undetectable		 4du2A-3r9sA:
21.63
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.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 7 ALA A 124
PHE A 130
ALA A 108
ALA A 102
 None
 0.75A 4du2B-3r9sA:
undetectable		 4du2B-3r9sA:
21.63
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)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 10 ASP A  82
PRO A   5
ALA A  32
SER A  34
GLY A  36
 None
 1.21A 4mmdA-3r9sA:
undetectable		 4mmdA-3r9sA:
20.61
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.
4MMD_B_29EB603_1
(TRANSPORTER)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 12 ASP A  82
PRO A   5
ALA A  32
SER A  34
GLY A  36
 None
 1.17A 4mmdB-3r9sA:
undetectable		 4mmdB-3r9sA:
20.61
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.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 9 PHE A  63
ALA A 128
ALA A 170
LEU A 168
VAL A 122
 None
 1.36A 4or0A-3r9sA:
undetectable		 4or0A-3r9sA:
17.53
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.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 12 PHE A  63
ILE A  20
LEU A 189
VAL A  54
GLY A  38
 None
 1.13A 5byjA-3r9sA:
undetectable		 5byjA-3r9sA:
19.57
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 8 GLU A 151
VAL A 222
GLY A 144
THR A 232
 None
 0.94A 5sxqA-3r9sA:
undetectable		 5sxqA-3r9sA:
17.55
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 8 GLU A 151
VAL A 222
GLY A 144
THR A 232
 None
 0.94A 5sxtA-3r9sA:
undetectable		 5sxtA-3r9sA:
17.55
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.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 8 GLU A 151
VAL A 222
GLY A 144
THR A 232
 None
 0.93A 5sxtB-3r9sA:
undetectable		 5sxtB-3r9sA:
17.55
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.
5SYJ_B_NIZB809_1
(CATALASE-PEROXIDASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 8 GLU A 151
VAL A 222
GLY A 144
THR A 232
 None
 0.93A 5syjB-3r9sA:
undetectable		 5syjB-3r9sA:
17.69