SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3oaa'

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.
1HRK_B_CHDB2503_0
(FERROCHELATASE)		 3oaa ATP SYNTHASE GAMMA
CHAIN
(Escherichia
coli) 		4 / 4 LEU G 190
PRO G 189
LEU G 188
ARG G 220
 None
 1.31A 1hrkB-3oaaG:
2.3		 1hrkB-3oaaG:
21.32
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.
1JKH_A_EFZA999_1
(HIV-1 RT, A-CHAIN
HIV-1 RT, B-CHAIN)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 11 LEU D 147
VAL D 157
VAL D 153
GLY D 154
LEU D 162
 None
ADP  D 600 (-4.0A)
ADP  D 600 (-4.6A)
ADP  D 600 (-3.0A)
None
 1.38A 1jkhA-3oaaD:
undetectable
1jkhB-3oaaD:
undetectable		 1jkhA-3oaaD:
23.03
1jkhB-3oaaD:
20.56
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.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 3oaa ATP SYNTHASE GAMMA
CHAIN
(Escherichia
coli) 		5 / 12 GLU G 147
ASP G  83
GLY G 118
ALA G 115
LEU G  94
 None
SO4  G 300 (-3.3A)
SO4  G 300 ( 3.7A)
None
None
 1.20A 1nw3A-3oaaG:
undetectable		 1nw3A-3oaaG:
24.07
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.
1U18_A_HSMA401_1
(NITROPHORIN 1)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 4 ASP D 134
LEU D 125
LEU D 126
LEU D 420
 None
 1.27A 1u18A-3oaaD:
undetectable		 1u18A-3oaaD:
17.83
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_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 12 ALA D 317
GLN D 343
HIS D 170
ILE D 166
LEU D 162
 None
 1.08A 2jn3A-3oaaD:
undetectable		 2jn3A-3oaaD:
13.29
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		3 / 3 ARG D 342
GLU D 118
SER D 341
 None
 0.81A 2xkkA-3oaaD:
undetectable
2xkkC-3oaaD:
undetectable		 2xkkA-3oaaD:
20.65
2xkkC-3oaaD:
20.65
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.
2XRZ_A_ACTA1470_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 3oaa ATP SYNTHASE GAMMA
CHAIN
(Escherichia
coli) 		4 / 5 ARG G 163
ALA G 158
ASP G 160
GLU G 161
 None
 1.39A 2xrzA-3oaaG:
undetectable		 2xrzA-3oaaG:
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		 3oaa ATP SYNTHASE GAMMA
CHAIN
(Escherichia
coli) 		5 / 11 LEU G 235
VAL G 232
GLY G 230
GLU G 233
ALA G 236
 SO4  G 300 ( 4.5A)
None
None
None
None
 1.18A 2yy8A-3oaaG:
undetectable
2yy8B-3oaaG:
undetectable		 2yy8A-3oaaG:
21.51
2yy8B-3oaaG:
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 5 GLN D 268
THR D 270
HIS D 110
LEU D 221
 None
 1.31A 2zj0A-3oaaD:
2.1		 2zj0A-3oaaD:
23.24
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 11 VAL D 145
THR D 128
ILE D 166
THR D 291
LEU D 238
 None
 1.12A 3bf1E-3oaaD:
undetectable
3bf1F-3oaaD:
undetectable		 3bf1E-3oaaD:
19.01
3bf1F-3oaaD:
19.01
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.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 5 GLN D 268
THR D 270
HIS D 110
LEU D 221
 None
 1.33A 3ce6A-3oaaD:
undetectable		 3ce6A-3oaaD:
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.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 5 GLN D 268
THR D 270
HIS D 110
LEU D 221
 None
 1.33A 3ce6C-3oaaD:
undetectable		 3ce6C-3oaaD:
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.
3FC6_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 12 VAL D 157
ALA D 295
GLN D 294
PHE D 240
VAL D 406
 ADP  D 600 (-4.0A)
SO4  D 630 ( 4.6A)
None
None
None
 0.98A 3fc6C-3oaaD:
undetectable		 3fc6C-3oaaD:
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.
4OLT_A_GCSA306_1
(CHITOSANASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		3 / 3 SER D 322
ASP D 335
GLN D 368
 None
 0.87A 4oltA-3oaaD:
undetectable
4oltB-3oaaD:
undetectable		 4oltA-3oaaD:
21.99
4oltB-3oaaD:
21.99
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.
4QWP_B_GCSB304_1
(CHITOSANASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		3 / 3 GLN D 368
SER D 322
ASP D 335
 None
 0.90A 4qwpA-3oaaD:
undetectable
4qwpB-3oaaD:
undetectable		 4qwpA-3oaaD:
21.75
4qwpB-3oaaD:
21.75
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.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 6 PRO D  23
VAL D   6
THR D  53
ARG D  37
 None
 1.06A 4xe5A-3oaaD:
undetectable		 4xe5A-3oaaD:
18.97
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.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 6 ASP D  70
GLU D  30
ILE D 109
HIS D 110
 None
 0.98A 4xi3C-3oaaD:
undetectable		 4xi3C-3oaaD:
20.48
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.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 10 GLY D 146
VAL D 145
VAL D 293
LEU D 321
LEU D 162
 None
 1.24A 4yb6A-3oaaD:
undetectable
4yb6E-3oaaD:
undetectable		 4yb6A-3oaaD:
23.45
4yb6E-3oaaD:
23.45
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.
4YB6_B_HISB302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 10 GLY D 146
VAL D 145
VAL D 293
LEU D 321
LEU D 162
 None
 1.22A 4yb6B-3oaaD:
undetectable
4yb6C-3oaaD:
undetectable		 4yb6B-3oaaD:
23.45
4yb6C-3oaaD:
23.45
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.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 10 GLY D 146
VAL D 145
VAL D 293
LEU D 321
LEU D 162
 None
 1.19A 4yb6C-3oaaD:
undetectable
4yb6F-3oaaD:
undetectable		 4yb6C-3oaaD:
23.45
4yb6F-3oaaD:
23.45
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.
4YB6_D_HISD302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 10 LEU D 321
LEU D 162
GLY D 146
VAL D 145
VAL D 293
 None
 1.19A 4yb6A-3oaaD:
undetectable
4yb6D-3oaaD:
undetectable		 4yb6A-3oaaD:
23.45
4yb6D-3oaaD:
23.45
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.
4YB6_E_HISE302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 10 LEU D 321
LEU D 162
GLY D 146
VAL D 145
VAL D 293
 None
 1.20A 4yb6D-3oaaD:
undetectable
4yb6E-3oaaD:
undetectable		 4yb6D-3oaaD:
23.45
4yb6E-3oaaD:
23.45
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.
4YB6_F_HISF302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 10 LEU D 321
LEU D 162
GLY D 146
VAL D 145
VAL D 293
 None
 1.24A 4yb6B-3oaaD:
undetectable
4yb6F-3oaaD:
undetectable		 4yb6B-3oaaD:
23.45
4yb6F-3oaaD:
23.45
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.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 5 GLY D 178
ASP D 242
ARG D 246
MET D 275
 None
MG  D 601 ( 4.3A)
SO4  D 630 (-3.7A)
None
 1.01A 5gwkA-3oaaD:
undetectable		 5gwkA-3oaaD:
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.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 8 GLY D 447
ARG D 425
VAL D 418
ASP D 422
 None
 1.06A 5vlmA-3oaaD:
undetectable		 5vlmA-3oaaD:
17.66
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 5 VAL D 277
LEU D 221
VAL D 179
LEU D 239
 None
 0.95A 6bqgA-3oaaD:
undetectable		 6bqgA-3oaaD:
12.89
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.
6BSG_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 10 LEU D 147
VAL D 157
VAL D 153
GLY D 154
LEU D 162
 None
ADP  D 600 (-4.0A)
ADP  D 600 (-4.6A)
ADP  D 600 (-3.0A)
None
 1.48A 6bsgA-3oaaD:
undetectable		 6bsgA-3oaaD:
10.81
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.
6DH0_A_017A101_2
(PROTEASE)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		3 / 3 LEU D 162
ASP D 236
ILE D 290
 None
 0.65A 6dh0B-3oaaD:
undetectable		 6dh0B-3oaaD:
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.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 3oaa ATP SYNTHASE GAMMA
CHAIN
(Escherichia
coli) 		4 / 5 VAL G 122
PRO G 151
MET G 155
VAL G 227
 None
 1.33A 6ekzA-3oaaG:
undetectable		 6ekzA-3oaaG:
14.83
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.
6F6S_A_CXQA507_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 5 ARG D 394
TYR D 444
GLN D 397
ILE D 330
 None
 1.39A 6f6sA-3oaaD:
undetectable
6f6sB-3oaaD:
0.0		 6f6sA-3oaaD:
10.26
6f6sB-3oaaD:
10.71
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		4 / 7 GLN D 294
PHE D 312
HIS D 314
SER D 307
 None
 0.97A 6hu9S-3oaaD:
undetectable
6hu9q-3oaaD:
undetectable		 6hu9S-3oaaD:
13.41
6hu9q-3oaaD:
14.95
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.
6NM4_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 3oaa ATP SYNTHASE SUBUNIT
BETA
(Escherichia
coli) 		5 / 9 ILE D 168
ALA D 167
GLY D 172
GLY D  85
ARG D 164
 None
 1.14A 6nm4B-3oaaD:
undetectable		 6nm4B-3oaaD:
17.46