SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3b96'

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.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 4 GLY A 261
ASP A  83
GLY A 407
THR A 311
None
0.97A 1hxbB-3b96A:
undetectable
1hxbB-3b96A:
10.90
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.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 10 LEU A 562
VAL A 541
ALA A 545
SER A 548
LEU A 549
None
1.12A 1pxxA-3b96A:
undetectable
1pxxA-3b96A:
20.64
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 10 GLY A 214
GLY A 213
ILE A 210
VAL A 244
ILE A 251
None
None
FAD  A 616 (-4.3A)
None
None
0.79A 1sdtA-3b96A:
undetectable
1sdtA-3b96A:
10.22
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 10 LEU A 203
GLY A 214
GLY A 213
ILE A 210
VAL A 244
None
None
None
FAD  A 616 (-4.3A)
None
0.90A 1sdtA-3b96A:
undetectable
1sdtA-3b96A:
10.22
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_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
3 / 3 GLU A  57
GLU A  64
LEU A 115
None
0.70A 1v8bA-3b96A:
undetectable
1v8bA-3b96A:
22.31
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 11 GLY A 213
GLY A 214
ILE A 136
ALA A 173
ALA A 140
None
None
MYA  A   1 ( 4.8A)
None
MYA  A   1 ( 4.8A)
0.99A 1x7pA-3b96A:
undetectable
1x7pB-3b96A:
undetectable
1x7pA-3b96A:
19.63
1x7pB-3b96A:
19.63
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.
2BJF_A_DXCA330_0
(CHOLOYLGLYCINE
HYDROLASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 PHE A 219
PHE A 174
ALA A 216
ILE A 144
LEU A 165
None
MYA  A   1 (-4.8A)
None
MYA  A   1 (-4.9A)
None
1.16A 2bjfA-3b96A:
undetectable
2bjfA-3b96A:
18.82
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.
2BJF_A_DXCA330_0
(CHOLOYLGLYCINE
HYDROLASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 PHE A 219
PHE A 174
ILE A 144
ILE A 296
LEU A 165
None
MYA  A   1 (-4.8A)
MYA  A   1 (-4.9A)
None
None
1.10A 2bjfA-3b96A:
undetectable
2bjfA-3b96A:
18.82
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.
2EIJ_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 7 LEU A  42
GLN A  41
LEU A 481
PHE A  48
None
1.06A 2eijC-3b96A:
undetectable
2eijJ-3b96A:
undetectable
2eijC-3b96A:
18.56
2eijJ-3b96A:
6.45
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.
2EIM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 7 LEU A  42
GLN A  41
LEU A 481
PHE A  48
None
0.99A 2eimC-3b96A:
2.9
2eimJ-3b96A:
undetectable
2eimC-3b96A:
18.56
2eimJ-3b96A:
6.45
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.
2EIN_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 7 LEU A  42
GLN A  41
LEU A 481
PHE A  48
None
1.01A 2einC-3b96A:
undetectable
2einJ-3b96A:
undetectable
2einC-3b96A:
18.56
2einJ-3b96A:
6.45
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.
2EIN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 6 LEU A  42
GLN A  41
LEU A 481
PHE A  48
None
1.05A 2einP-3b96A:
3.0
2einW-3b96A:
undetectable
2einP-3b96A:
18.56
2einW-3b96A:
6.45
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.
2G70_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 7 GLY A 274
THR A 202
TYR A 200
ASP A 273
None
0.86A 2g70A-3b96A:
undetectable
2g70A-3b96A:
18.75
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.
2G70_B_SAMB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 7 GLY A 274
THR A 202
TYR A 200
ASP A 273
None
0.84A 2g70B-3b96A:
undetectable
2g70B-3b96A:
18.75
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 ALA A 376
ALA A 293
PHE A 174
PHE A 290
MET A 438
None
None
MYA  A   1 (-4.8A)
None
None
1.22A 2nyrA-3b96A:
undetectable
2nyrA-3b96A:
19.27
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.
2QX6_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 6 GLY A 139
GLY A 128
PHE A 418
PHE A 421
MYA  A   1 ( 3.8A)
None
None
MYA  A   1 ( 3.7A)
0.99A 2qx6A-3b96A:
undetectable
2qx6B-3b96A:
undetectable
2qx6A-3b96A:
16.92
2qx6B-3b96A:
16.92
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.
2RLC_A_CHDA332_0
(CHOLOYLGLYCINE
HYDROLASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 PHE A 219
PHE A 174
ILE A 144
ILE A 296
LEU A 165
None
MYA  A   1 (-4.8A)
MYA  A   1 (-4.9A)
None
None
1.13A 2rlcA-3b96A:
undetectable
2rlcA-3b96A:
18.82
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.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 9 PHE A 146
ALA A 172
ALA A 166
GLY A 103
GLY A 168
None
1.24A 2v7bA-3b96A:
undetectable
2v7bA-3b96A:
22.99
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.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 9 PHE A 146
ALA A 172
ALA A 166
GLY A 103
GLY A 168
None
1.24A 2v7bB-3b96A:
undetectable
2v7bB-3b96A:
22.99
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.
2VE3_A_REAA1445_1
(PUTATIVE CYTOCHROME
P450 120)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 PHE A 421
LEU A 104
ALA A 101
VAL A 134
GLY A 133
MYA  A   1 ( 3.7A)
None
None
None
None
1.02A 2ve3A-3b96A:
0.4
2ve3A-3b96A:
22.43
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.
2VUF_A_FUAA2002_1
(SERUM ALBUMIN)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 9 PHE A 503
ALA A 504
VAL A 507
GLU A 508
None
0.33A 2vufA-3b96A:
undetectable
2vufA-3b96A:
22.02
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.
2XFS_A_J01A500_1
(ORF12)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 8 ARG A 313
GLY A 314
ALA A 317
LYS A 318
None
0.80A 2xfsA-3b96A:
undetectable
2xfsA-3b96A:
22.73
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.
2XH9_A_J01A1436_1
(ORF12)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 8 ARG A 313
GLY A 314
ALA A 317
LYS A 318
None
0.90A 2xh9A-3b96A:
undetectable
2xh9A-3b96A:
22.73
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.
3BEX_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 10 ASN A 212
VAL A 171
GLY A 168
THR A 137
LEU A 138
None
None
None
None
MYA  A   1 ( 4.6A)
1.18A 3bexA-3b96A:
undetectable
3bexB-3b96A:
undetectable
3bexA-3b96A:
18.65
3bexB-3b96A:
18.65
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 11 ASN A 212
VAL A 171
GLY A 168
THR A 137
LEU A 138
None
None
None
None
MYA  A   1 ( 4.6A)
1.17A 3bexC-3b96A:
undetectable
3bexD-3b96A:
undetectable
3bexC-3b96A:
18.65
3bexD-3b96A:
18.65
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 11 THR A 137
LEU A 138
ASN A 212
VAL A 171
GLY A 168
None
MYA  A   1 ( 4.6A)
None
None
None
1.16A 3bexE-3b96A:
undetectable
3bexF-3b96A:
undetectable
3bexE-3b96A:
18.65
3bexF-3b96A:
18.65
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 11 ASN A 212
VAL A 171
GLY A 168
THR A 137
LEU A 138
None
None
None
None
MYA  A   1 ( 4.6A)
1.17A 3bf1A-3b96A:
undetectable
3bf1B-3b96A:
undetectable
3bf1A-3b96A:
18.65
3bf1B-3b96A:
18.65
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 THR A 137
LEU A 138
ASN A 212
VAL A 171
GLY A 168
None
MYA  A   1 ( 4.6A)
None
None
None
1.16A 3bf1A-3b96A:
undetectable
3bf1B-3b96A:
undetectable
3bf1A-3b96A:
18.65
3bf1B-3b96A:
18.65
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 11 ASN A 212
VAL A 171
GLY A 168
THR A 137
LEU A 138
None
None
None
None
MYA  A   1 ( 4.6A)
1.20A 3bf1C-3b96A:
undetectable
3bf1D-3b96A:
undetectable
3bf1C-3b96A:
18.65
3bf1D-3b96A:
18.65
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 11 THR A 137
LEU A 138
ASN A 212
VAL A 171
GLY A 168
None
MYA  A   1 ( 4.6A)
None
None
None
1.17A 3bf1C-3b96A:
undetectable
3bf1D-3b96A:
undetectable
3bf1C-3b96A:
18.65
3bf1D-3b96A:
18.65
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 11 ASN A 212
VAL A 171
GLY A 168
THR A 137
LEU A 138
None
None
None
None
MYA  A   1 ( 4.6A)
1.16A 3bf1E-3b96A:
undetectable
3bf1F-3b96A:
undetectable
3bf1E-3b96A:
18.65
3bf1F-3b96A:
18.65
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 11 THR A 137
LEU A 138
ASN A 212
VAL A 171
GLY A 168
None
MYA  A   1 ( 4.6A)
None
None
None
1.14A 3bf1E-3b96A:
undetectable
3bf1F-3b96A:
undetectable
3bf1E-3b96A:
18.65
3bf1F-3b96A:
18.65
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.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
3 / 3 ARG A 544
VAL A  53
THR A 118
None
0.74A 3cyxA-3b96A:
undetectable
3cyxA-3b96A:
8.83
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 8 ASP A 439
GLN A 435
MET A 438
GLU A 374
None
1.34A 3dh0A-3b96A:
undetectable
3dh0A-3b96A:
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 4 GLY A 261
ASP A  83
GLY A 407
THR A 311
None
0.99A 3k4vC-3b96A:
undetectable
3k4vC-3b96A:
10.22
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_D_TFPD201_1
(PROTEIN S100-A4)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 8 GLY A 303
MET A 294
PHE A 222
PHE A 174
MYA  A   1 ( 4.9A)
MYA  A   1 ( 4.6A)
None
MYA  A   1 (-4.8A)
1.08A 3ko0D-3b96A:
undetectable
3ko0E-3b96A:
undetectable
3ko0D-3b96A:
12.27
3ko0E-3b96A:
12.27
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_Q_TFPQ201_1
(PROTEIN S100-A4)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 8 PHE A 248
GLY A 249
ILE A 218
PHE A 242
None
0.96A 3ko0O-3b96A:
undetectable
3ko0Q-3b96A:
undetectable
3ko0O-3b96A:
12.27
3ko0Q-3b96A:
12.27
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 LEU A 562
VAL A 541
ALA A 545
SER A 548
LEU A 549
None
1.13A 4coxC-3b96A:
undetectable
4coxC-3b96A:
20.46
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 6 ARG A 573
GLY A 577
ALA A 499
GLN A 526
None
1.08A 4g0uA-3b96A:
1.0
4g0uA-3b96A:
22.21
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.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 LEU A 132
ILE A 315
GLY A 310
ALA A 309
VAL A 389
None
1.06A 4nkvC-3b96A:
undetectable
4nkvC-3b96A:
22.02
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.
5N0O_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 ILE A 210
GLY A 213
VAL A 171
SER A 211
VAL A 221
FAD  A 616 (-4.3A)
None
None
FAD  A 616 (-3.0A)
None
1.17A 5n0oA-3b96A:
undetectable
5n0oA-3b96A:
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 ILE A 210
GLY A 213
VAL A 171
SER A 211
VAL A 221
FAD  A 616 (-4.3A)
None
None
FAD  A 616 (-3.0A)
None
1.16A 5n0oB-3b96A:
undetectable
5n0oB-3b96A:
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.
5UUN_A_ACTA309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 4 LEU A 484
GLY A 483
SER A 482
SER A 480
None
1.36A 5uunA-3b96A:
undetectable
5uunA-3b96A:
19.83
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.
5UUN_B_ACTB306_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 4 LEU A 484
GLY A 483
SER A 482
SER A 480
None
1.33A 5uunB-3b96A:
undetectable
5uunB-3b96A:
19.83
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.
5V96_C_ADNC502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 4 GLU A 354
THR A 353
THR A 390
LEU A 132
None
1.38A 5v96C-3b96A:
undetectable
5v96C-3b96A:
23.40
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.
5V96_D_ADND502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 4 GLU A 354
THR A 353
THR A 390
LEU A 132
None
1.37A 5v96D-3b96A:
undetectable
5v96D-3b96A:
23.40
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.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
5 / 12 ASP A 534
ASP A 426
LEU A 430
ALA A 433
LEU A 581
None
FAD  A 616 (-3.8A)
None
None
None
1.02A 6b0iB-3b96A:
undetectable
6b0iB-3b96A:
9.65
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
3 / 3 ARG A 313
ARG A 544
ARG A 122
None
1.09A 6bplA-3b96A:
undetectable
6bplB-3b96A:
undetectable
6bplA-3b96A:
8.15
6bplB-3b96A:
8.15
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo
sapiens)
4 / 7 ALA A 166
GLY A 103
LEU A 104
GLY A 145
None
0.84A 6nm4A-3b96A:
undetectable
6nm4A-3b96A:
13.85