SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1buc'

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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 8 PHE A 197
ASP A 192
GLY A 165
GLY A 164
 None
 0.54A 1ekjE-1bucA:
0.0
1ekjF-1bucA:
0.0		 1ekjE-1bucA:
20.05
1ekjF-1bucA:
20.05
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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 9 TYR A 366
ILE A  88
ALA A  92
SER A  95
LEU A  96
 CAA  A 384 (-4.1A)
None
CAA  A 384 ( 4.2A)
None
CAA  A 384 (-4.7A)
 1.07A 1eqgA-1bucA:
0.3		 1eqgA-1bucA:
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 11 TYR A 366
ILE A  88
ALA A  92
SER A  95
LEU A  96
 CAA  A 384 (-4.1A)
None
CAA  A 384 ( 4.2A)
None
CAA  A 384 (-4.7A)
 1.10A 1eqgB-1bucA:
0.2		 1eqgB-1bucA:
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.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 8 THR A 194
PRO A 195
GLY A 196
THR A 153
 None
 0.83A 1h4oB-1bucA:
undetectable		 1h4oB-1bucA:
19.68
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.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 8 THR A 194
PRO A 195
GLY A 196
THR A 153
 None
 0.85A 1oc3A-1bucA:
undetectable		 1oc3A-1bucA:
20.21
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.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 LEU A  24
GLY A  85
ARG A 355
ARG A  31
ALA A  84
 None
 1.11A 2br4A-1bucA:
undetectable		 2br4A-1bucA:
20.98
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.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		6 / 12 LEU A  24
LEU A  45
GLY A  85
ARG A 355
ARG A  31
ALA A  84
 None
 1.30A 2br4C-1bucA:
undetectable		 2br4C-1bucA:
20.98
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.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		6 / 12 LEU A  24
LEU A  45
GLY A  85
ARG A 355
ARG A  31
ALA A  84
 None
 1.34A 2br4D-1bucA:
undetectable		 2br4D-1bucA:
20.98
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.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 LEU A  24
GLY A  85
ARG A 355
ARG A  31
ALA A  84
 None
 1.18A 2br4E-1bucA:
undetectable		 2br4E-1bucA:
20.98
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.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.97A 2eikC-1bucA:
3.8
2eikJ-1bucA:
0.0		 2eikC-1bucA:
17.69
2eikJ-1bucA:
11.04
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.
2EIK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 8 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.92A 2eikP-1bucA:
3.8
2eikW-1bucA:
0.0		 2eikP-1bucA:
17.69
2eikW-1bucA:
11.04
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.
2EIL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 8 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.96A 2eilP-1bucA:
3.8
2eilW-1bucA:
0.0		 2eilP-1bucA:
17.69
2eilW-1bucA:
11.04
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.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.99A 2eimP-1bucA:
3.7
2eimW-1bucA:
0.0		 2eimP-1bucA:
17.69
2eimW-1bucA:
11.04
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.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 11 THR A  51
LEU A 123
LEU A  45
ILE A  42
THR A 210
 None
 1.39A 3a50B-1bucA:
2.0		 3a50B-1bucA:
22.85
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.
3ABK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 6 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.93A 3abkP-1bucA:
3.8
3abkW-1bucA:
0.0		 3abkP-1bucA:
17.69
3abkW-1bucA:
11.04
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.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.95A 3ag2C-1bucA:
3.8		 3ag2C-1bucA:
17.69
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.95A 3ag2P-1bucA:
1.8
3ag2W-1bucA:
0.0		 3ag2P-1bucA:
17.69
3ag2W-1bucA:
11.04
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 8 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.93A 3ag4C-1bucA:
1.8
3ag4J-1bucA:
0.0		 3ag4C-1bucA:
17.69
3ag4J-1bucA:
11.04
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.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.91A 3ag4P-1bucA:
3.7
3ag4W-1bucA:
0.0		 3ag4P-1bucA:
17.69
3ag4W-1bucA:
11.04
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.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.99A 3asnP-1bucA:
3.5
3asnW-1bucA:
0.0		 3asnP-1bucA:
17.69
3asnW-1bucA:
11.04
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.
3ASO_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 8 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.97A 3asoC-1bucA:
3.8
3asoJ-1bucA:
0.0		 3asoC-1bucA:
17.69
3asoJ-1bucA:
11.04
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.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.97A 3asoP-1bucA:
3.8
3asoW-1bucA:
0.0		 3asoP-1bucA:
17.69
3asoW-1bucA:
11.04
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.
3EKW_B_DR7B100_1
(PROTEASE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 10 ALA A  84
ASP A  83
GLY A 207
ALA A 331
ILE A 257
 None
 0.97A 3ekwA-1bucA:
undetectable		 3ekwA-1bucA:
13.58
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.
3EKW_B_DR7B100_2
(PROTEASE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 ALA A  84
ASP A  83
GLY A 207
ALA A 331
ILE A 257
 None
 0.95A 3ekwB-1bucA:
undetectable		 3ekwB-1bucA:
13.58
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.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 LEU A   5
GLY A  67
ILE A  50
LEU A  13
GLU A  77
 None
 1.07A 3ijdA-1bucA:
undetectable		 3ijdA-1bucA:
20.44
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.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 GLY A 193
CYH A  97
PHE A 126
GLY A 165
 None
None
CAA  A 384 ( 4.7A)
None
 0.97A 3ko0M-1bucA:
1.5
3ko0P-1bucA:
1.5		 3ko0M-1bucA:
14.96
3ko0P-1bucA:
14.96
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.
3KO0_P_TFPP201_1
(PROTEIN S100-A4)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 GLY A 165
GLY A 193
CYH A  97
PHE A 126
 None
None
None
CAA  A 384 ( 4.7A)
 0.92A 3ko0M-1bucA:
1.5
3ko0P-1bucA:
1.5		 3ko0M-1bucA:
14.96
3ko0P-1bucA:
14.96
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.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 VAL A 221
GLY A 156
LEU A 154
ILE A 159
LEU A 216
 None
 1.03A 3mb5A-1bucA:
undetectable		 3mb5A-1bucA:
21.45
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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 11 TYR A 366
ILE A  88
ALA A  92
SER A  95
LEU A  96
 CAA  A 384 (-4.1A)
None
CAA  A 384 ( 4.2A)
None
CAA  A 384 (-4.7A)
 1.16A 3n8yA-1bucA:
0.1		 3n8yA-1bucA:
21.20
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.
3S56_A_ROCA201_1
(PROTEASE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 GLY A 165
ALA A 166
ILE A  42
GLY A 124
ILE A 169
 None
 1.06A 3s56A-1bucA:
undetectable		 3s56A-1bucA:
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 8 HIS A 356
ILE A 257
ILE A 208
ARG A 355
 None
 1.11A 3sfeB-1bucA:
0.0
3sfeC-1bucA:
2.5		 3sfeB-1bucA:
18.72
3sfeC-1bucA:
17.19
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.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 6 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.96A 3wg7C-1bucA:
3.7
3wg7J-1bucA:
0.0		 3wg7C-1bucA:
17.69
3wg7J-1bucA:
11.04
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.
3WG7_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 6 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.96A 3wg7P-1bucA:
1.4
3wg7W-1bucA:
0.0		 3wg7P-1bucA:
17.69
3wg7W-1bucA:
11.04
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.92A 3x2qC-1bucA:
3.7
3x2qJ-1bucA:
0.0		 3x2qC-1bucA:
17.69
3x2qJ-1bucA:
11.04
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.
3X2Q_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.99A 3x2qP-1bucA:
3.8
3x2qW-1bucA:
0.0		 3x2qP-1bucA:
17.69
3x2qW-1bucA:
11.04
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)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 GLY A 246
THR A  93
ALA A 252
VAL A  76
ALA A 320
 None
 1.29A 4df3A-1bucA:
undetectable		 4df3A-1bucA:
22.39
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.
4DF3_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 GLY A 246
THR A  93
ALA A 252
VAL A  76
ALA A 320
 None
 1.24A 4df3B-1bucA:
undetectable		 4df3B-1bucA:
22.39
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.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 11 ILE A  50
PHE A  19
ALA A  87
LEU A  90
THR A  89
 None
 1.12A 4g1bB-1bucA:
2.4		 4g1bB-1bucA:
23.25
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 ALA A 306
GLY A 249
LEU A  90
ALA A 307
TYR A  54
 None
 1.05A 4lg1A-1bucA:
undetectable		 4lg1A-1bucA:
20.72
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.
4MM4_A_8PRA603_1
(TRANSPORTER)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 VAL A  28
ALA A  25
GLY A  20
ASP A  32
THR A 210
 None
 1.28A 4mm4A-1bucA:
0.7		 4mm4A-1bucA:
22.03
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.
4URO_C_NOVC2000_1
(DNA GYRASE SUBUNIT B)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 GLU A  77
ILE A  73
ASP A  68
GLN A 311
ILE A 248
 None
 1.34A 4uroC-1bucA:
undetectable		 4uroC-1bucA:
20.05
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.
5B1A_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.96A 5b1aC-1bucA:
3.8
5b1aJ-1bucA:
0.0		 5b1aC-1bucA:
17.69
5b1aJ-1bucA:
11.04
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.
5B1A_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.97A 5b1aP-1bucA:
3.8
5b1aW-1bucA:
0.0		 5b1aP-1bucA:
17.69
5b1aW-1bucA:
11.04
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.
5B3S_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.95A 5b3sC-1bucA:
3.8
5b3sJ-1bucA:
0.0		 5b3sC-1bucA:
17.69
5b3sJ-1bucA:
11.04
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.
5B3S_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.96A 5b3sP-1bucA:
3.8		 5b3sP-1bucA:
17.69
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.
5ERS_A_ACTA803_0
(GEPHYRIN)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		3 / 3 THR A 162
ALA A  92
ASN A 163
 CAA  A 384 ( 3.8A)
CAA  A 384 ( 4.2A)
None
 0.40A 5ersA-1bucA:
undetectable		 5ersA-1bucA:
23.16
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.
5HWA_A_GCSA302_1
(CHITOSANASE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ASP A 192
TYR A 199
GLY A 164
TYR A  37
 None
 0.99A 5hwaA-1bucA:
2.0		 5hwaA-1bucA:
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.
5IY5_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.98A 5iy5C-1bucA:
1.5
5iy5J-1bucA:
0.0		 5iy5C-1bucA:
17.69
5iy5J-1bucA:
9.75
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.
5VKQ_A_PCFA1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 10 TYR A 170
ILE A 171
ILE A 238
ILE A 161
ASN A 163
 None
None
None
FAD  A 385 ( 4.2A)
None
 1.39A 5vkqA-1bucA:
2.8
5vkqD-1bucA:
3.5		 5vkqA-1bucA:
12.31
5vkqD-1bucA:
12.31
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.
5VKQ_B_PCFB1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 10 ILE A 161
ASN A 163
TYR A 170
ILE A 171
ILE A 238
 FAD  A 385 ( 4.2A)
None
None
None
None
 1.37A 5vkqA-1bucA:
2.8
5vkqB-1bucA:
2.8		 5vkqA-1bucA:
12.31
5vkqB-1bucA:
12.31
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.
5VKQ_D_PCFD1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 10 ILE A 161
ASN A 163
TYR A 170
ILE A 171
ILE A 238
 FAD  A 385 ( 4.2A)
None
None
None
None
 1.36A 5vkqC-1bucA:
2.8
5vkqD-1bucA:
3.5		 5vkqC-1bucA:
12.31
5vkqD-1bucA:
12.31
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.
5X19_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 5 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.98A 5x19C-1bucA:
1.8
5x19J-1bucA:
0.0		 5x19C-1bucA:
17.69
5x19J-1bucA:
11.04
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 6 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.96A 5x19P-1bucA:
3.5		 5x19P-1bucA:
17.69
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.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 5 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.97A 5x1bP-1bucA:
4.3		 5x1bP-1bucA:
17.69
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.97A 5x1fP-1bucA:
4.4
5x1fW-1bucA:
0.0		 5x1fP-1bucA:
17.69
5x1fW-1bucA:
11.04
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.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.95A 5z85C-1bucA:
3.8
5z85J-1bucA:
0.0		 5z85C-1bucA:
17.69
5z85J-1bucA:
11.04
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.94A 5zcqC-1bucA:
1.5
5zcqJ-1bucA:
0.0		 5zcqC-1bucA:
17.69
5zcqJ-1bucA:
11.04
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.
5ZCQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 7 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.95A 5zcqP-1bucA:
3.8
5zcqW-1bucA:
0.0		 5zcqP-1bucA:
17.69
5zcqW-1bucA:
11.04
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.
5ZWR_B_9KLB402_0
(EST-Y29)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 SER A  95
TYR A  54
PHE A  55
TYR A  72
LEU A 114
 None
 1.21A 5zwrB-1bucA:
undetectable		 5zwrB-1bucA:
20.39
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.
6A5K_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		5 / 12 GLU A  56
ASN A  99
LYS A 110
CYH A  97
LEU A 114
 None
 1.43A 6a5kA-1bucA:
2.3		 6a5kA-1bucA:
22.85
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_C_ACRC607_0
(ALPHA-AMYLASE)		 1buc BUTYRYL-COA
DEHYDROGENASE
(Megasphaera
elsdenii) 		4 / 6 GLY A  67
ASP A  11
GLY A  52
GLY A  49
 None
 0.68A 6ag0C-1bucA:
undetectable		 6ag0C-1bucA:
12.33