SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ekg'

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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		3 / 3 ASP A 131
LEU A 138
LEU A 134
 None
 0.59A 1ikeA-3ekgA:
undetectable		 1ikeA-3ekgA:
18.18
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.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 8 ASN A 125
ILE A 124
GLU A 270
GLY A 269
 None
None
MG  A 601 ( 2.4A)
None
 0.69A 1meiA-3ekgA:
10.3		 1meiA-3ekgA:
22.29
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.
1NP1_B_HSMB304_1
(NITROPHORIN 1)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		3 / 3 ASP A 131
LEU A 138
LEU A 134
 None
 0.69A 1np1B-3ekgA:
undetectable		 1np1B-3ekgA:
18.55
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 6 TYR A  23
HIS A 320
GLU A 362
PRO A 363
 None
TLA  A 501 (-4.3A)
None
None
 1.39A 1q13A-3ekgA:
5.5		 1q13A-3ekgA:
21.10
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.
1WG8_B_SAMB3141_1
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		3 / 3 HIS A 147
ASP A 136
ASN A  71
 None
 0.60A 1wg8B-3ekgA:
undetectable		 1wg8B-3ekgA:
22.86
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.
1XL6_B_SPMB3001_1
(INWARD RECTIFIER
POTASSIUM CHANNEL)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 5 ALA A  83
TYR A  85
ALA A  13
TYR A 394
 None
 0.98A 1xl6A-3ekgA:
undetectable
1xl6B-3ekgA:
undetectable		 1xl6A-3ekgA:
23.61
1xl6B-3ekgA:
23.61
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.
2F78_B_BEZB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 7 VAL A 130
PHE A  94
HIS A  90
THR A 114
 None
 1.17A 2f78B-3ekgA:
undetectable		 2f78B-3ekgA:
18.52
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.
2JN3_A_JN3A131_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 6 LEU A 182
ASN A 224
ILE A 241
PHE A 215
 None
 1.06A 2jn3A-3ekgA:
0.2		 2jn3A-3ekgA:
14.55
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 6 ALA A  67
ASP A  69
GLU A  66
ARG A  12
 None
 1.35A 2ouzA-3ekgA:
undetectable		 2ouzA-3ekgA:
22.52
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.
2WLK_B_SPMB1302_1
(ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 10)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 4 ALA A  83
TYR A  85
ALA A  13
TYR A 394
 None
 1.01A 2wlkA-3ekgA:
undetectable
2wlkB-3ekgA:
undetectable		 2wlkA-3ekgA:
23.61
2wlkB-3ekgA:
23.61
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		3 / 3 MET A 280
VAL A 317
GLU A 302
 None
 0.70A 2x9gA-3ekgA:
undetectable		 2x9gA-3ekgA:
21.46
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A  79
ILE A  86
ALA A  21
ASP A  22
VAL A 294
 None
 0.94A 2yqzB-3ekgA:
undetectable		 2yqzB-3ekgA:
22.41
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.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 7 LEU A 158
ARG A 333
PRO A 145
GLY A 152
 None
 1.08A 3hcnA-3ekgA:
undetectable		 3hcnA-3ekgA:
21.90
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.
3HCP_B_CHDB4_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		3 / 3 GLY A 295
PRO A 292
LEU A 303
 None
 0.44A 3hcpB-3ekgA:
undetectable		 3hcpB-3ekgA:
21.90
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A  19
GLN A 358
MET A 344
LEU A 342
ILE A  55
 None
None
None
TLA  A 501 (-4.1A)
None
 1.34A 3mnoA-3ekgA:
undetectable		 3mnoA-3ekgA:
20.00
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A  19
GLN A 358
MET A 344
LEU A 342
ILE A  55
 None
None
None
TLA  A 501 (-4.1A)
None
 1.36A 3mnpA-3ekgA:
undetectable		 3mnpA-3ekgA:
20.68
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 7 GLU A 242
GLU A 272
PHE A 278
PRO A 292
 MG  A 601 ( 3.0A)
None
None
None
 1.31A 3ql6A-3ekgA:
0.2		 3ql6A-3ekgA:
22.32
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 6 THR A  78
ASN A 125
GLY A 295
ASP A 293
 None
 1.09A 3w9tE-3ekgA:
undetectable		 3w9tE-3ekgA:
21.77
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLU A 340
GLY A 164
PHE A 175
SER A 326
VAL A 330
 TLA  A 501 (-2.8A)
None
None
None
None
 1.37A 4ffwB-3ekgA:
undetectable		 4ffwB-3ekgA:
19.67
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 PHE A 380
ALA A 331
THR A 332
VAL A 300
LEU A 303
 None
 1.13A 4g1bA-3ekgA:
undetectable		 4g1bA-3ekgA:
22.15
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.
4M48_A_21BA704_1
(TRANSPORTER)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 8 VAL A 294
ASP A 293
SER A 323
GLY A 321
 None
 0.94A 4m48A-3ekgA:
undetectable		 4m48A-3ekgA:
22.32
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A 177
GLY A 178
PHE A 160
ALA A 170
ASN A 367
 None
 0.91A 4rtmA-3ekgA:
undetectable		 4rtmA-3ekgA:
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A 164
LEU A 169
ILE A  32
HIS A  30
THR A 163
 None
None
None
None
TLA  A 501 ( 3.8A)
 1.07A 5d4uA-3ekgA:
undetectable		 5d4uA-3ekgA:
19.90
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.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A 164
LEU A 169
ILE A  32
HIS A  30
THR A 163
 None
None
None
None
TLA  A 501 ( 3.8A)
 1.06A 5d4uB-3ekgA:
undetectable		 5d4uB-3ekgA:
19.90
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.
5KOC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A 379
ASP A 131
VAL A 300
THR A 301
LEU A 150
 None
 1.02A 5kocA-3ekgA:
undetectable		 5kocA-3ekgA:
20.26
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 8 GLU A 243
THR A  38
PRO A  39
ILE A  55
 None
 1.13A 6a4iA-3ekgA:
undetectable		 6a4iA-3ekgA:
21.98
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 8 GLY A 121
ILE A 124
ASP A 293
PRO A 292
 None
 0.78A 6ag0A-3ekgA:
7.5		 6ag0A-3ekgA:
12.53
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.
6CE2_B_SVRB202_1
()		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 8 LEU A 384
LEU A 359
LEU A  61
TYR A 325
 None
 0.94A 6ce2A-3ekgA:
undetectable		 6ce2A-3ekgA:
13.74