SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pbk'

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.
1AJ6_A_NOVA1_1
(GYRASE)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 GLU A 366
ARG A 362
ILE A 464
ALA A 493
ILE A 501
 None
 1.18A 1aj6A-3pbkA:
undetectable		 1aj6A-3pbkA:
16.21
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.
1MJ2_A_SAMA2201_0
(PROTEIN (METHIONINE
REPRESSOR))		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 ARG A 514
LEU A 518
GLU A 483
ALA A 480
PRO A 484
 None
 1.30A 1mj2A-3pbkA:
undetectable		 1mj2A-3pbkA:
13.59
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.
1MJ2_C_SAMC1200_0
(PROTEIN (METHIONINE
REPRESSOR))		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 ARG A 514
LEU A 518
GLU A 483
ALA A 480
PRO A 484
 None
 1.31A 1mj2C-3pbkA:
undetectable		 1mj2C-3pbkA:
13.59
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.
1MJO_A_SAMA199_0
(METHIONINE REPRESSOR)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 ARG A 514
LEU A 518
GLU A 483
ALA A 480
PRO A 484
 None
 1.31A 1mjoA-3pbkA:
undetectable		 1mjoA-3pbkA:
13.59
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.
1MJO_B_SAMB200_1
(METHIONINE REPRESSOR)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 ARG A 514
LEU A 518
GLU A 483
ALA A 480
PRO A 484
 None
 1.31A 1mjoB-3pbkA:
undetectable		 1mjoB-3pbkA:
13.59
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.
1MJO_D_SAMD200_0
(METHIONINE REPRESSOR)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 ARG A 514
LEU A 518
GLU A 483
ALA A 480
PRO A 484
 None
 1.30A 1mjoC-3pbkA:
undetectable		 1mjoC-3pbkA:
13.59
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 11 GLY A 489
ARG A 514
LEU A 518
GLU A 483
PRO A 484
 None
 1.47A 1mjqA-3pbkA:
undetectable
1mjqB-3pbkA:
undetectable		 1mjqA-3pbkA:
13.59
1mjqB-3pbkA:
13.59
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.
1MJQ_H_SAMH200_0
(METHIONINE REPRESSOR)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 10 GLY A 489
ARG A 514
LEU A 518
GLU A 483
PRO A 484
 None
 1.47A 1mjqG-3pbkA:
undetectable
1mjqH-3pbkA:
undetectable		 1mjqG-3pbkA:
13.59
1mjqH-3pbkA:
13.59
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.
2BXC_B_P1ZB2001_1
(SERUM ALBUMIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 LEU A 238
LEU A  23
HIS A 198
ALA A  93
ALA A 101
 None
 1.30A 2bxcB-3pbkA:
undetectable		 2bxcB-3pbkA:
20.91
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.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 12 LEU A 263
LYS A 264
SER A 267
THR A 332
ARG A 270
 None
 1.07A 2oipB-3pbkA:
undetectable		 2oipB-3pbkA:
19.97
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.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 5 VAL A 456
THR A 457
VAL A 411
GLY A 412
 1ZZ  A   1 (-4.1A)
None
None
None
 1.07A 2p2fA-3pbkA:
31.3		 2p2fA-3pbkA:
25.11
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.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 4 VAL A 456
THR A 457
VAL A 411
GLY A 412
 1ZZ  A   1 (-4.1A)
None
None
None
 1.07A 2p2fB-3pbkA:
26.4		 2p2fB-3pbkA:
25.11
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		3 / 3 ARG A 216
ASN A 327
THR A 332
 None
 0.75A 2q63A-3pbkA:
undetectable		 2q63A-3pbkA:
10.93
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.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 6 TYR A  96
THR A  22
ALA A  26
PRO A 173
 None
 1.23A 2ql8A-3pbkA:
4.0
2ql8B-3pbkA:
3.2		 2ql8A-3pbkA:
15.74
2ql8B-3pbkA:
15.74
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.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 12 LEU A 215
ILE A 208
LEU A 344
ILE A 213
VAL A 247
 None
1ZZ  A   1 (-4.5A)
1ZZ  A   1 (-4.1A)
1ZZ  A   1 ( 4.8A)
None
 1.07A 2ygpA-3pbkA:
undetectable		 2ygpA-3pbkA:
15.93
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 4 LEU A 215
GLN A 244
THR A 243
THR A 272
 None
 1.38A 2zj0D-3pbkA:
undetectable		 2zj0D-3pbkA:
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.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 12 GLY A 395
GLY A 418
GLY A 439
LEU A 391
ILE A 396
 None
 1.04A 3eluA-3pbkA:
undetectable		 3eluA-3pbkA:
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.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 12 GLY A 395
GLY A 418
GLY A 439
LEU A 391
ILE A 396
 None
 1.04A 3gczA-3pbkA:
undetectable		 3gczA-3pbkA:
17.47
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.
3I9J_B_NCAB302_0
(ADP-RIBOSYL CYCLASE)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 6 LEU A 365
ASN A 470
TRP A 472
SER A 382
 None
 1.45A 3i9jB-3pbkA:
undetectable		 3i9jB-3pbkA:
19.14
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.
3KEE_D_30BD500_2
(GENOME POLYPROTEIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 4 PHE A  87
TYR A 180
VAL A 154
LEU A 155
 None
 1.29A 3keeD-3pbkA:
undetectable		 3keeD-3pbkA:
16.78
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.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 12 LYS A 119
LEU A 120
ALA A  78
ILE A  80
ILE A 132
 None
 0.91A 3ut5B-3pbkA:
2.1		 3ut5B-3pbkA:
21.37
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.
4K50_A_ACTA506_0
(RNA POLYMERASE
3D-POL)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		3 / 3 VAL A 100
GLY A  98
LYS A  73
 None
 0.61A 4k50A-3pbkA:
undetectable		 4k50A-3pbkA:
22.68
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.
4K50_E_ACTE504_0
(RNA POLYMERASE
3D-POL)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		3 / 3 VAL A 100
GLY A  98
LYS A  73
 None
 0.63A 4k50E-3pbkA:
undetectable		 4k50E-3pbkA:
22.68
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.
4K50_I_ACTI504_0
(RNA POLYMERASE
3D-POL)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		3 / 3 VAL A 100
GLY A  98
LYS A  73
 None
 0.63A 4k50I-3pbkA:
undetectable		 4k50I-3pbkA:
22.68
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.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 ALA A  59
ALA A  63
LEU A  99
LEU A  27
VAL A  24
 None
 1.37A 4or0A-3pbkA:
undetectable		 4or0A-3pbkA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 PHE A  92
ALA A  59
ALA A  63
LEU A  27
VAL A  24
 None
 1.27A 4or0A-3pbkA:
undetectable		 4or0A-3pbkA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_C_NOVC2000_1
(DNA GYRASE SUBUNIT B)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 12 GLU A 366
ARG A 362
ILE A 464
ALA A 493
ILE A 501
 None
 1.08A 4uroC-3pbkA:
undetectable		 4uroC-3pbkA:
18.80
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.
4YSH_B_GLYB401_0
(GLYCINE OXIDASE)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 6 PHE A 319
GLY A 280
TYR A 281
ALA A 276
 None
 1.17A 4yshB-3pbkA:
undetectable		 4yshB-3pbkA:
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.
5C6P_A_4YHA601_1
(PROTEIN C)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 6 ALA A 118
SER A 115
SER A 548
PRO A 191
 None
 1.22A 5c6pA-3pbkA:
undetectable		 5c6pA-3pbkA:
23.68
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 9 LEU A  71
LEU A  99
ALA A 166
VAL A 168
ALA A  97
 None
 1.38A 5g44A-3pbkA:
undetectable		 5g44A-3pbkA:
19.64
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.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 7 ILE A 213
GLY A 212
LEU A  23
PHE A  20
 1ZZ  A   1 ( 4.8A)
None
None
None
 0.78A 5hieB-3pbkA:
undetectable		 5hieB-3pbkA:
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.
5HRQ_I_IPHI101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 6 VAL A 288
LEU A 293
CYH A 284
LEU A 263
 None
 1.16A 5hrqB-3pbkA:
undetectable
5hrqI-3pbkA:
undetectable
5hrqJ-3pbkA:
undetectable		 5hrqB-3pbkA:
9.35
5hrqI-3pbkA:
4.18
5hrqJ-3pbkA:
9.35
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.
5JWA_A_ACTA609_0
(NADH DEHYDROGENASE,
PUTATIVE)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		3 / 3 VAL A 222
SER A 223
TRP A 262
 None
 0.94A 5jwaA-3pbkA:
undetectable		 5jwaA-3pbkA:
20.68
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.
5KI6_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 5 LEU A 454
TYR A 453
LYS A 389
LEU A 449
 None
 1.33A 5ki6A-3pbkA:
2.5		 5ki6A-3pbkA:
22.49
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.
6B50_A_OAQA302_0
(SULFOTRANSFERASE
OXAMNIQUINE
RESISTANCE PROTEIN)		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		5 / 12 LEU A 245
VAL A 303
VAL A 273
PHE A 236
MET A 334
 None
None
None
1ZZ  A   1 ( 4.3A)
None
 1.43A 6b50A-3pbkA:
undetectable		 6b50A-3pbkA:
17.58
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.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 3pbk FATTY ACYL-ADENYLATE
LIGASE
(Escherichia
coli) 		4 / 8 GLN A 498
THR A 496
VAL A 495
GLU A 499
 None
 1.15A 6fbvC-3pbkA:
undetectable		 6fbvC-3pbkA:
20.05