SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ce9'

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_1
(HIV-1 PROTEASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 ALA A 102
ASP A 101
GLY A  96
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
EDO  A 401 ( 3.8A)
None
None
 0.71A 1hxbA-3ce9A:
undetectable		 1hxbA-3ce9A:
15.06
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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 PHE A 221
LEU A 229
SER A 160
GLY A 168
ILE A 169
 None
None
EDO  A 401 (-4.9A)
None
None
 1.24A 1kglA-3ce9A:
undetectable		 1kglA-3ce9A:
18.41
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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 PHE A 126
ILE A  44
GLY A  95
GLY A  97
PHE A  40
 None
EDO  A 402 (-4.6A)
None
None
None
 1.12A 1nv8A-3ce9A:
3.4		 1nv8A-3ce9A:
23.58
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.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 ILE A  44
ILE A  13
ILE A 115
ILE A  52
ILE A  28
 EDO  A 402 (-4.6A)
None
None
None
None
 1.11A 1r5lA-3ce9A:
undetectable		 1r5lA-3ce9A:
20.77
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.
1RJD_A_SAMA801_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 THR A 146
ALA A 144
GLY A 125
SER A 116
LEU A 229
 None
 1.05A 1rjdA-3ce9A:
undetectable		 1rjdA-3ce9A:
21.08
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.
1RJD_B_SAMB802_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 THR A 146
ALA A 144
GLY A 125
SER A 116
LEU A 229
 None
 1.05A 1rjdB-3ce9A:
undetectable		 1rjdB-3ce9A:
21.08
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.
1RJD_C_SAMC803_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 THR A 146
ALA A 144
GLY A 125
SER A 116
LEU A 229
 None
 1.06A 1rjdC-3ce9A:
2.2		 1rjdC-3ce9A:
21.08
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.
2DM6_A_IMNA1401_1
(NADP-DEPENDENT
LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 10 ILE A 169
PRO A 161
GLU A 162
ILE A 165
TYR A 166
 None
EDO  A 401 (-4.9A)
None
None
None
 1.32A 2dm6A-3ce9A:
4.7
2dm6B-3ce9A:
4.7		 2dm6A-3ce9A:
23.00
2dm6B-3ce9A:
23.00
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.
2FXD_A_DR7A102_2
(POL PROTEIN)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 7 ALA A 102
ASP A 101
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
None
None
 0.75A 2fxdB-3ce9A:
undetectable		 2fxdB-3ce9A:
15.84
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.
2FXE_A_DR7A102_1
(POL PROTEIN)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 ALA A 102
ASP A 101
GLY A  96
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
EDO  A 401 ( 3.8A)
None
None
 0.62A 2fxeA-3ce9A:
undetectable		 2fxeA-3ce9A:
17.28
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.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 10 ILE A  28
PHE A  40
THR A 119
ILE A  61
GLY A  49
 None
None
EDO  A 401 (-4.0A)
None
None
 1.06A 2v0mA-3ce9A:
undetectable		 2v0mA-3ce9A:
22.47
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.
2W8Y_A_486A1000_1
(PROGESTERONE
RECEPTOR)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 LEU A 256
LEU A 265
GLY A 267
LEU A 352
VAL A 173
 None
 1.38A 2w8yA-3ce9A:
undetectable		 2w8yA-3ce9A:
20.62
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 8 VAL A 270
ASP A 124
LEU A 229
GLY A 168
 None
ZN  A 400 ( 4.0A)
None
None
 0.98A 3af0A-3ce9A:
undetectable		 3af0A-3ce9A:
21.07
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 6 ALA A 255
LEU A 256
ALA A 273
THR A 274
 None
 0.90A 3b6hB-3ce9A:
undetectable		 3b6hB-3ce9A:
20.04
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.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		3 / 3 GLY A  97
ASP A 101
SER A 132
 None
 0.59A 3brfA-3ce9A:
undetectable		 3brfA-3ce9A:
21.96
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.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		3 / 3 GLY A 125
ASP A 101
SER A 132
 None
 0.67A 3brfA-3ce9A:
undetectable		 3brfA-3ce9A:
21.96
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.
3D91_A_REMA350_1
(RENIN)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 GLY A 168
SER A 174
THR A 274
PHE A 298
LEU A 229
 None
 1.25A 3d91A-3ce9A:
undetectable		 3d91A-3ce9A:
22.61
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.
3DZY_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 ALA A 314
LEU A 256
ALA A 255
VAL A 301
LEU A 348
 None
 1.07A 3dzyA-3ce9A:
undetectable		 3dzyA-3ce9A:
22.04
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.
3EL9_A_DR7A100_1
(PROTEASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 8 ALA A 102
ASP A 101
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
None
None
 0.63A 3el9A-3ce9A:
undetectable		 3el9A-3ce9A:
15.06
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.
3HGX_A_SALA102_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 7 VAL A 103
ILE A  92
TYR A  39
ILE A  94
 None
 0.92A 3hgxA-3ce9A:
undetectable		 3hgxA-3ce9A:
14.69
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 7 GLY A  96
GLY A  97
SER A 120
LEU A 265
 EDO  A 401 ( 3.8A)
None
EDO  A 401 (-3.4A)
None
 0.71A 3o9mA-3ce9A:
undetectable		 3o9mA-3ce9A:
20.61
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 6 GLY A  96
GLY A  97
SER A 120
LEU A 265
 EDO  A 401 ( 3.8A)
None
EDO  A 401 (-3.4A)
None
 0.70A 3o9mB-3ce9A:
undetectable		 3o9mB-3ce9A:
20.61
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.
3OGP_A_017A200_1
(FIV PROTEASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 9 ALA A 102
ASP A 101
ILE A  72
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
None
None
None
 0.92A 3ogpA-3ce9A:
undetectable		 3ogpA-3ce9A:
17.48
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.
3OGP_B_017B200_2
(FIV PROTEASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 9 ALA A 102
ASP A 101
ILE A  72
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
None
None
None
 0.85A 3ogpB-3ce9A:
undetectable		 3ogpB-3ce9A:
17.48
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.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 10 ALA A 102
ASP A 101
ILE A  72
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
None
None
None
 0.92A 3ogqA-3ce9A:
undetectable		 3ogqA-3ce9A:
17.48
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.
3OGQ_A_AB1A200_2
(FIV PROTEASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 ALA A 102
ASP A 101
ILE A  72
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
None
None
None
 0.79A 3ogqB-3ce9A:
undetectable		 3ogqB-3ce9A:
17.48
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 6 SER A  37
ALA A  65
ARG A  35
LEU A 112
 None
 1.01A 3ravA-3ce9A:
undetectable		 3ravA-3ce9A:
17.88
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.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 6 SER A  37
ALA A  65
ARG A  35
LEU A 112
 None
 0.99A 3rd0A-3ce9A:
undetectable		 3rd0A-3ce9A:
17.88
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.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 11 ALA A 102
ASP A 101
GLY A  96
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
EDO  A 401 ( 3.8A)
None
None
 0.64A 3ufnA-3ce9A:
undetectable		 3ufnA-3ce9A:
14.37
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.
3WSJ_A_MK1A201_2
(PROTEASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 7 LEU A 256
ALA A 273
VAL A 280
ILE A 252
 None
 0.90A 3wsjB-3ce9A:
undetectable		 3wsjB-3ce9A:
14.69
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.
4AT0_A_ACTA1490_0
(3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		3 / 3 GLU A  67
TYR A  39
SER A  37
 PEG  A 404 (-4.0A)
None
None
 0.98A 4at0A-3ce9A:
undetectable		 4at0A-3ce9A:
21.07
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.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 7 PHE A 126
ASN A 123
GLY A 168
ILE A 157
 None
 0.85A 4ejjA-3ce9A:
undetectable		 4ejjA-3ce9A:
24.26
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.
4MM4_B_8PRB603_2
(TRANSPORTER)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		3 / 3 SER A 128
MET A 236
ASP A 227
 None
 0.59A 4mm4B-3ce9A:
undetectable		 4mm4B-3ce9A:
22.71
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 SER A 127
ASP A 101
GLY A 125
ASN A 123
ASP A 171
 None
None
None
None
ZN  A 400 (-2.3A)
 1.21A 4ubeA-3ce9A:
4.5		 4ubeA-3ce9A:
21.56
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 SER A 128
ASP A 101
GLY A 125
ASN A 123
ASP A 171
 None
None
None
None
ZN  A 400 (-2.3A)
 1.15A 4ubeA-3ce9A:
4.5		 4ubeA-3ce9A:
21.56
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.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 GLY A 247
TYR A 326
SER A 242
ALA A 178
ASN A 175
 None
 1.44A 4ymgA-3ce9A:
undetectable		 4ymgA-3ce9A:
21.97
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 12 ILE A 268
GLY A 296
PHE A 297
GLY A 170
GLY A 303
 None
 1.01A 5i75A-3ce9A:
undetectable		 5i75A-3ce9A:
19.93
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.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		5 / 10 TYR A  45
ILE A  94
ILE A  24
ILE A  56
ILE A  28
 EDO  A 403 ( 4.2A)
None
None
None
None
 1.11A 5murE-3ce9A:
undetectable		 5murE-3ce9A:
12.54
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_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 4 LEU A 260
LEU A 256
SER A 309
ALA A 314
 None
 1.04A 5uunA-3ce9A:
undetectable		 5uunA-3ce9A:
22.59
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.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3ce9 GLYCEROL
DEHYDROGENASE
(Clostridium
acetobutylicum) 		4 / 5 ASN A 232
ASP A 171
ASN A 123
ASP A 101
 None
ZN  A 400 (-2.3A)
None
None
 1.37A 5vooC-3ce9A:
undetectable		 5vooC-3ce9A:
20.87