SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4u3w'

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.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 8 PHE A 457
PHE A 465
THR A 240
LEU A 169
 None
 1.10A 1ea1A-4u3wA:
undetectable		 1ea1A-4u3wA:
23.23
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.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 SER A 243
LEU A 427
TYR A 425
GLY A 241
PHE A 401
 None
 1.40A 1fdsA-4u3wA:
5.0		 1fdsA-4u3wA:
21.89
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 9 GLY A 225
VAL A 253
ILE A 234
GLY A 158
ILE A 159
ILE A 249
 None
 1.19A 1hpvA-4u3wA:
undetectable		 1hpvA-4u3wA:
10.75
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.
1N49_B_RITB301_2
(PROTEASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 11 GLY A 225
VAL A 253
GLY A 158
ILE A 159
ILE A 249
 None
 0.93A 1n49B-4u3wA:
undetectable		 1n49B-4u3wA:
10.75
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.
1N49_D_RITD401_1
(PROTEASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 11 GLY A 225
VAL A 253
GLY A 158
ILE A 159
ILE A 249
 None
 0.93A 1n49C-4u3wA:
undetectable		 1n49C-4u3wA:
10.75
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.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 7 ALA A  55
ASP A  53
GLY A 158
ILE A 159
 None
 0.63A 1t7iB-4u3wA:
undetectable		 1t7iB-4u3wA:
10.71
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.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 7 ALA A  55
ASP A  53
GLY A 158
ILE A 159
 None
 0.63A 1t7jB-4u3wA:
undetectable		 1t7jB-4u3wA:
10.71
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.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 LEU A 199
LEU A 167
ASN A 119
ALA A 175
ALA A 179
 None
 1.14A 2bm9C-4u3wA:
undetectable		 2bm9C-4u3wA:
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 6 SER A 423
SER A 471
LEU A 427
GLY A 426
 None
 0.94A 2j2pA-4u3wA:
undetectable
2j2pC-4u3wA:
undetectable		 2j2pA-4u3wA:
18.93
2j2pC-4u3wA:
18.93
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 6 SER A 423
SER A 471
LEU A 427
GLY A 426
 None
 0.92A 2j2pD-4u3wA:
undetectable
2j2pF-4u3wA:
undetectable		 2j2pD-4u3wA:
18.93
2j2pF-4u3wA:
18.93
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.
2JFA_B_CCSB417_0
(ESTROGEN RECEPTOR)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		3 / 3 GLN A 445
LYS A 418
VAL A 420
 None
 0.92A 2jfaB-4u3wA:
undetectable		 2jfaB-4u3wA:
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 GLU A 413
ARG A 438
ILE A 446
VAL A 417
ASP A 275
 None
 1.39A 2qeoA-4u3wA:
undetectable		 2qeoA-4u3wA:
13.27
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 PHE A 170
ASN A 182
VAL A 184
GLY A 158
ALA A 186
 None
 1.06A 2x2iA-4u3wA:
undetectable		 2x2iA-4u3wA:
18.48
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.
2X2I_C_QPSC1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 PHE A 170
ASN A 182
VAL A 184
GLY A 158
ALA A 186
 None
 1.11A 2x2iC-4u3wA:
undetectable		 2x2iC-4u3wA:
18.48
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.
3MBG_C_ACTC800_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		3 / 3 ASP A 125
ARG A 121
ALA A 124
 None
 0.76A 3mbgC-4u3wA:
undetectable		 3mbgC-4u3wA:
15.52
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.
3NU6_B_478B401_2
(PROTEASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 10 GLY A 225
VAL A 253
GLY A 158
ILE A 159
ILE A 249
 None
 0.90A 3nu6B-4u3wA:
undetectable		 3nu6B-4u3wA:
11.36
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.
3NU9_A_478A401_1
(PROTEASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 8 ALA A  55
ASP A  53
GLY A 158
ILE A 159
 None
 0.59A 3nu9A-4u3wA:
undetectable		 3nu9A-4u3wA:
12.17
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 ILE A 117
ASP A  91
GLU A  87
VAL A 202
 EDO  A 504 (-3.6A)
None
EDO  A 504 (-4.5A)
None
 1.25A 4nkxC-4u3wA:
undetectable		 4nkxC-4u3wA:
22.91
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.
4OAD_A_CLMA206_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 4 ALA A  55
ALA A  58
ALA A  59
ALA A  62
 None
 0.12A 4oadA-4u3wA:
undetectable		 4oadA-4u3wA:
17.97
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.
4OAE_A_CLMA208_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 4 ALA A  55
ALA A  58
ALA A  59
ALA A  62
 None
 0.12A 4oaeA-4u3wA:
undetectable		 4oaeA-4u3wA:
18.39
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 LEU A 167
LEU A 215
VAL A 202
ILE A 159
VAL A 184
 None
 1.05A 4ok1A-4u3wA:
undetectable		 4ok1A-4u3wA:
18.28
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.
4OLT_B_GCSB301_1
(CHITOSANASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		3 / 3 GLY A 337
PRO A 338
GLN A 295
 None
 0.39A 4oltB-4u3wA:
1.0		 4oltB-4u3wA:
23.20
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		3 / 3 GLY A 337
PRO A 338
GLN A 295
 None
 0.27A 4qwpB-4u3wA:
undetectable		 4qwpB-4u3wA:
23.60
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 7 SER A 189
ASP A 112
ARG A 103
GLY A 102
 None
 0.92A 5btaA-4u3wA:
undetectable
5btaC-4u3wA:
undetectable
5btaD-4u3wA:
2.1		 5btaA-4u3wA:
24.16
5btaC-4u3wA:
24.16
5btaD-4u3wA:
21.03
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 7 SER A 189
ASP A 112
ARG A 103
GLY A 102
 None
 0.86A 5btfA-4u3wA:
undetectable
5btfB-4u3wA:
undetectable
5btfC-4u3wA:
undetectable		 5btfA-4u3wA:
24.16
5btfB-4u3wA:
21.03
5btfC-4u3wA:
24.16
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 SER A 430
GLY A 466
THR A 240
GLU A 263
 None
 1.18A 5btiA-4u3wA:
undetectable
5btiB-4u3wA:
undetectable		 5btiA-4u3wA:
24.16
5btiB-4u3wA:
21.03
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 SER A 430
GLY A 466
THR A 240
GLU A 263
 None
 1.19A 5btiC-4u3wA:
undetectable
5btiD-4u3wA:
2.1		 5btiC-4u3wA:
24.16
5btiD-4u3wA:
21.03
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.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 10 LEU A  41
ALA A  42
LEU A  15
GLY A 218
HIS A 219
 None
 1.36A 5dx3A-4u3wA:
undetectable		 5dx3A-4u3wA:
17.13
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 9 GLY A 102
VAL A  98
GLU A  97
GLY A 337
PRO A 329
 None
 1.03A 5zniA-4u3wA:
undetectable		 5zniA-4u3wA:
9.56
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.
6A93_B_8NUB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 SER A 289
VAL A 363
THR A 361
PHE A 310
VAL A 303
 None
 1.10A 6a93B-4u3wA:
undetectable		 6a93B-4u3wA:
20.94
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.
6A93_B_8NUB3001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 ASP A 391
PHE A 310
ASN A 268
TYR A 304
 None
 1.05A 6a93B-4u3wA:
undetectable		 6a93B-4u3wA:
20.94
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.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 9 GLN A 445
GLU A 306
PHE A 273
PHE A 410
VAL A 271
 None
 1.22A 6beeA-4u3wA:
0.0
6beeB-4u3wA:
0.0
6beeC-4u3wA:
0.0		 6beeA-4u3wA:
20.89
6beeB-4u3wA:
20.89
6beeC-4u3wA:
20.89
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.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 6 GLY A 218
HIS A  17
ARG A  16
SER A  26
 None
 1.02A 6jogA-4u3wA:
3.4		 6jogA-4u3wA:
16.23