SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4k2a'

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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		5 / 10 GLY A 105
THR A 106
ALA A 101
TYR A 233
VAL A 120
 None
 1.38A 2coiA-4k2aA:
undetectable
2coiB-4k2aA:
undetectable		 2coiA-4k2aA:
19.95
2coiB-4k2aA:
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.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		5 / 10 TYR A 233
VAL A 120
GLY A 105
THR A 106
ALA A 101
 None
 1.36A 2coiA-4k2aA:
undetectable
2coiB-4k2aA:
undetectable		 2coiA-4k2aA:
19.95
2coiB-4k2aA:
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		5 / 11 GLY A 105
THR A 106
ALA A 101
TYR A 233
VAL A 120
 None
 1.39A 2cojA-4k2aA:
undetectable
2cojB-4k2aA:
undetectable		 2cojA-4k2aA:
19.95
2cojB-4k2aA:
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		5 / 9 TYR A 233
VAL A 120
GLY A 105
THR A 106
ALA A 101
 None
 1.38A 2cojA-4k2aA:
undetectable
2cojB-4k2aA:
undetectable		 2cojA-4k2aA:
19.95
2cojB-4k2aA:
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		3 / 3 ASP A 163
ASN A 164
THR A 147
 None
 0.69A 2pymB-4k2aA:
undetectable		 2pymB-4k2aA:
14.47
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		4 / 6 ALA A 227
ALA A 229
THR A 257
PHE A 254
 None
 1.06A 2xfhA-4k2aA:
undetectable		 2xfhA-4k2aA:
24.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FBW_A_BEZA501_0
(HALOALKANE
DEHALOGENASE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		8 / 9 ASN A  38
ASP A 103
TRP A 104
PHE A 148
PHE A 167
LEU A 208
HIS A 271
TYR A 272
 CL  A 501 (-4.3A)
CL  A 501 ( 4.7A)
CL  A 501 (-4.4A)
None
CL  A 501 (-4.7A)
None
None
None
 0.35A 3fbwA-4k2aA:
46.1		 3fbwA-4k2aA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FBW_A_BEZA501_0
(HALOALKANE
DEHALOGENASE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		5 / 9 ASP A 103
TRP A 104
PHE A 138
LEU A 208
HIS A 271
 CL  A 501 ( 4.7A)
CL  A 501 (-4.4A)
None
None
None
 1.25A 3fbwA-4k2aA:
46.1		 3fbwA-4k2aA:
48.21
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.
3HZN_D_ACTD229_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		4 / 4 ASP A   6
GLY A  25
LYS A   6
GLU A  23
 None
 1.02A 3hznD-4k2aA:
undetectable		 3hznD-4k2aA:
23.28
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		3 / 3 PRO A 209
PHE A  78
ALA A 107
 None
 0.67A 3itaD-4k2aA:
undetectable		 3itaD-4k2aA:
23.99
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.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		4 / 8 PHE A 125
PHE A 110
ALA A 229
THR A 257
 None
 0.94A 3t3sD-4k2aA:
undetectable		 3t3sD-4k2aA:
20.86
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.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		4 / 6 MET A 160
GLY A 157
ARG A 170
GLU A 146
 None
 1.46A 4bqfA-4k2aA:
4.3		 4bqfA-4k2aA:
16.42
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.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		3 / 3 PHE A  79
ASP A  86
ARG A 115
 None
 0.87A 4eahF-4k2aA:
undetectable		 4eahF-4k2aA:
20.78
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.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		3 / 3 PHE A  79
ASP A  86
ARG A 115
 None
 0.87A 4eahG-4k2aA:
undetectable		 4eahG-4k2aA:
20.78
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.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		4 / 7 PHE A 128
PHE A 125
ALA A 255
LEU A 228
 None
 1.06A 4ejgA-4k2aA:
undetectable		 4ejgA-4k2aA:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		8 / 8 ASN A  38
ASP A 103
TRP A 104
PHE A 167
VAL A 171
LEU A 208
HIS A 271
TYR A 272
 CL  A 501 (-4.3A)
CL  A 501 ( 4.7A)
CL  A 501 (-4.4A)
CL  A 501 (-4.7A)
None
None
None
None
 0.35A 4f5zA-4k2aA:
46.5		 4f5zA-4k2aA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		4 / 8 ASP A 103
TRP A 104
PHE A 148
HIS A 271
 CL  A 501 ( 4.7A)
CL  A 501 (-4.4A)
None
None
 1.11A 4f5zA-4k2aA:
46.5		 4f5zA-4k2aA:
48.21
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		4 / 8 TYR A  43
ARG A  46
GLU A 182
ARG A 178
 None
 1.41A 4kr4C-4k2aA:
undetectable		 4kr4C-4k2aA:
22.62
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.
4LRH_D_FOLD301_1
(FOLATE RECEPTOR
ALPHA)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		3 / 3 HIS A 139
TRP A 135
SER A 175
 None
 1.21A 4lrhD-4k2aA:
undetectable		 4lrhD-4k2aA:
16.45
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		4 / 7 LEU A 273
GLY A 269
ALA A 268
SER A 241
 None
 0.89A 5f1aB-4k2aA:
undetectable		 5f1aB-4k2aA:
19.75
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		5 / 12 ASP A 142
PHE A 148
PHE A 138
THR A 218
ALA A 211
 None
 1.17A 5vcgA-4k2aA:
undetectable		 5vcgA-4k2aA:
19.23
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.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		 4k2a HALOALKANE
DEHALOGENASE
(Bradyrhizobium
elkanii) 		3 / 3 PHE A 151
ARG A 170
ALA A 143
 None
 0.88A 6ecfB-4k2aA:
16.5		 6ecfB-4k2aA:
24.37