SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ibu'

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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 8 GLY A 378
GLU A 351
PHE A 231
HIS A 397
 None
 0.85A 1ax9A-2ibuA:
undetectable		 1ax9A-2ibuA:
20.55
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 8 GLY A 379
GLU A 351
PHE A 231
HIS A 397
 None
 0.86A 1ax9A-2ibuA:
undetectable		 1ax9A-2ibuA:
20.55
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.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 5 MET A 135
ALA A 132
ILE A 122
ASP A 317
 None
 1.20A 1upfA-2ibuA:
undetectable		 1upfA-2ibuA:
20.35
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 7 GLY A 378
GLU A 351
PHE A 231
HIS A 397
 None
 0.84A 2ackA-2ibuA:
undetectable		 2ackA-2ibuA:
20.55
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 7 GLY A 379
GLU A 351
PHE A 231
HIS A 397
 None
 0.87A 2ackA-2ibuA:
undetectable		 2ackA-2ibuA:
20.55
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.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 ASP A 324
ILE A 206
VAL A 352
 None
 0.55A 2avvD-2ibuA:
undetectable		 2avvD-2ibuA:
13.62
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.
2B25_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 GLY A  53
GLU A 254
ASP A 288
 None
 0.63A 2b25B-2ibuA:
undetectable		 2b25B-2ibuA:
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 8 GLY A 152
GLY A  68
THR A  65
ALA A  64
 None
 0.58A 2ej3A-2ibuA:
undetectable		 2ej3A-2ibuA:
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.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 8 GLY A 152
GLY A  68
THR A  65
ALA A  64
 None
 0.54A 2ej3C-2ibuA:
undetectable		 2ej3C-2ibuA:
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.
2OPX_A_DXCA1003_0
(ALDEHYDE
DEHYDROGENASE A)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 5 ILE A 206
LEU A 361
ASP A 212
ALA A 207
 None
None
None
GOL  A4001 ( 4.4A)
 0.98A 2opxA-2ibuA:
undetectable		 2opxA-2ibuA:
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.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 SER A 157
GLY A  57
GLY A  53
 None
 0.49A 3bogA-2ibuA:
undetectable
3bogC-2ibuA:
undetectable		 3bogA-2ibuA:
undetectable
3bogC-2ibuA:
undetectable
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A 293
ALA A 410
ALA A 127
GLY A 152
ILE A  44
 None
None
CSO  A 126 ( 3.6A)
None
None
 1.02A 3c6gA-2ibuA:
undetectable		 3c6gA-2ibuA:
22.90
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 CYH A 196
HIS A 192
PHE A 356
 None
COA  A6001 (-4.5A)
COA  A6001 (-4.5A)
 1.21A 3cr4X-2ibuA:
0.0		 3cr4X-2ibuA:
13.37
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 4 SER A 137
GLY A 391
GLU A 154
 None
CSO  A 126 ( 4.5A)
None
 0.69A 3raeA-2ibuA:
undetectable
3raeC-2ibuA:
undetectable		 3raeA-2ibuA:
21.74
3raeC-2ibuA:
18.20
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.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 7 PHE A 315
MET A 141
LEU A 295
ILE A 133
 None
 1.02A 3rfmA-2ibuA:
undetectable		 3rfmA-2ibuA:
23.02
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.
3TIC_A_ZMRA1002_2
(NEURAMINIDASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 5 LEU A 383
ARG A 393
ILE A 376
ARG A 221
 None
 1.27A 3ticA-2ibuA:
undetectable		 3ticA-2ibuA:
21.78
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A 309
ALA A  79
GLU A 234
ALA A  47
THR A  48
 None
 1.29A 4fiaA-2ibuA:
undetectable		 4fiaA-2ibuA:
23.95
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.
4FIA_A_198A602_1
(CHOLESTEROL
24-HYDROXYLASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A 309
ALA A  79
GLU A 234
ALA A  47
THR A  48
 None
 1.29A 4fiaA-2ibuA:
undetectable		 4fiaA-2ibuA:
23.95
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 152
GLY A 388
ALA A  64
ALA A  71
MET A  91
 None
 1.19A 4kicA-2ibuA:
undetectable		 4kicA-2ibuA:
23.08
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ASN A 158
LEU A  67
GLY A  97
ALA A  64
GLY A 183
 None
 1.02A 4n09B-2ibuA:
undetectable		 4n09B-2ibuA:
23.33
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ASN A 158
LEU A  67
GLY A  97
ALA A  64
GLY A 183
 None
 1.00A 4n09D-2ibuA:
undetectable		 4n09D-2ibuA:
23.33
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 392
GLY A 129
SER A 128
ASN A 353
GLY A 396
 None
None
CSO  A 126 ( 4.8A)
None
None
 1.13A 4obwA-2ibuA:
undetectable		 4obwA-2ibuA:
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 392
GLY A 129
SER A 128
ILE A 394
GLY A 396
 None
None
CSO  A 126 ( 4.8A)
None
None
 1.13A 4obwA-2ibuA:
undetectable		 4obwA-2ibuA:
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.
4OU1_A_BEZA302_0
(RETRO-ALDOLASE,
DESIGN RA114)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 8 ILE A 424
LYS A 426
ILE A  44
ALA A  47
 None
 0.97A 4ou1A-2ibuA:
undetectable		 4ou1A-2ibuA:
21.73
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 THR A 185
ASP A 182
ASP A 186
ILE A 191
SER A 195
 None
 1.28A 4pooB-2ibuA:
undetectable		 4pooB-2ibuA:
19.26
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 8 ALA A 136
GLY A  92
THR A 104
VAL A 108
 None
 0.85A 4r20A-2ibuA:
undetectable		 4r20A-2ibuA:
22.46
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 9 LEU A 402
LEU A 409
GLY A 408
LEU A 398
ALA A 410
 None
 1.07A 5dqfA-2ibuA:
undetectable		 5dqfA-2ibuA:
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.
5LF3_H_BO2H306_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 10 ALA A  47
THR A  48
GLU A 234
ALA A 150
GLY A 151
 None
 1.17A 5lf3H-2ibuA:
undetectable
5lf3I-2ibuA:
undetectable		 5lf3H-2ibuA:
18.09
5lf3I-2ibuA:
18.89
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.
5LF3_V_BO2V303_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 10 ALA A  47
THR A  48
GLU A 234
ALA A 150
GLY A 151
 None
 1.15A 5lf3V-2ibuA:
undetectable
5lf3W-2ibuA:
undetectable		 5lf3V-2ibuA:
18.09
5lf3W-2ibuA:
18.89
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 11 ALA A  47
THR A  48
GLU A 234
ALA A 150
GLY A 151
 None
 1.13A 5lf7H-2ibuA:
undetectable
5lf7I-2ibuA:
undetectable		 5lf7H-2ibuA:
18.09
5lf7I-2ibuA:
18.89
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 11 ALA A  47
THR A  48
GLU A 234
ALA A 150
GLY A 151
 None
 1.11A 5lf7V-2ibuA:
undetectable
5lf7W-2ibuA:
undetectable		 5lf7V-2ibuA:
18.09
5lf7W-2ibuA:
18.89
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.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 THR A  48
HIS A 400
ASN A 233
 None
 0.98A 5n4tA-2ibuA:
undetectable		 5n4tA-2ibuA:
23.99
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.
5TJY_A_BEZA304_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 MET A 389
GLU A 234
ARG A 393
 None
 1.01A 5tjyA-2ibuA:
undetectable		 5tjyA-2ibuA:
23.75
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.
5TJZ_A_BEZA302_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 MET A 389
GLU A 234
ARG A 393
 None
 1.08A 5tjzA-2ibuA:
undetectable		 5tjzA-2ibuA:
23.75
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 355
GLY A 415
SER A 411
ALA A 380
TYR A 214
 COA  A6001 (-3.6A)
CSO  A 126 ( 4.2A)
None
None
None
 1.16A 5zvgA-2ibuA:
undetectable		 5zvgA-2ibuA:
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.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 355
GLY A 415
SER A 411
ALA A 380
TYR A 214
 COA  A6001 (-3.6A)
CSO  A 126 ( 4.2A)
None
None
None
 1.15A 5zvgB-2ibuA:
undetectable		 5zvgB-2ibuA:
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 ASN A 189
VAL A 180
HIS A 192
 None
None
COA  A6001 (-4.5A)
 0.86A 6a5yD-2ibuA:
undetectable		 6a5yD-2ibuA:
11.23
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.
6BKL_C_EU7C101_0
(MATRIX PROTEIN 2)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 9 ALA A 333
ALA A 410
SER A 411
VAL A 374
GLY A 408
 None
 1.17A 6bklA-2ibuA:
undetectable
6bklB-2ibuA:
undetectable
6bklC-2ibuA:
undetectable
6bklD-2ibuA:
undetectable		 6bklA-2ibuA:
3.80
6bklB-2ibuA:
3.80
6bklC-2ibuA:
3.80
6bklD-2ibuA:
3.80
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.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		4 / 7 ASP A 253
ARG A 393
GLU A 234
GLU A 351
 None
 1.06A 6mn5E-2ibuA:
undetectable		 6mn5E-2ibuA:
14.29