SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4fi4'

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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.39A 1a4gB-4fi4A:
undetectable		 1a4gB-4fi4A:
20.00
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 11 GLY A  33
ALA A  89
GLY A 292
ILE A 293
VAL A  67
 None
 0.93A 1hxwB-4fi4A:
undetectable		 1hxwB-4fi4A:
11.71
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 LEU A 288
PHE A 352
THR A  36
PRO A  14
GLY A  15
 None
 1.49A 1ia0B-4fi4A:
0.0		 1ia0B-4fi4A:
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.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ILE A 321
GLY A 370
VAL A 373
ALA A 102
GLY A  31
 None
 1.18A 1kiaB-4fi4A:
undetectable		 1kiaB-4fi4A:
22.12
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.
1NH8_A_HISA289_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		4 / 5 ASP A  34
LEU A  48
ALA A  88
LEU A 288
 None
 0.97A 1nh8A-4fi4A:
undetectable		 1nh8A-4fi4A:
24.00
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.
1RG1_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		3 / 3 TRP A 403
VAL A 392
PRO A 391
 None
 0.86A 1rg1A-4fi4A:
undetectable		 1rg1A-4fi4A:
25.38
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.
1RH0_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		3 / 3 TRP A 403
VAL A 392
PRO A 391
 None
 0.86A 1rh0A-4fi4A:
undetectable		 1rh0A-4fi4A:
25.38
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.
1TUB_B_TXLB501_1
(TUBULIN)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 LEU A 288
PHE A 352
THR A  36
PRO A  14
GLY A  15
 None
 1.49A 1tubB-4fi4A:
undetectable		 1tubB-4fi4A:
23.12
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 10 GLY A  33
ALA A  89
GLY A 292
ILE A 293
VAL A  67
 None
 0.96A 2aquA-4fi4A:
undetectable		 2aquA-4fi4A:
11.71
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.
2GLU_A_SAMA301_0
(YCGJ)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 GLY A  33
HIS A 354
ASP A  34
ALA A  35
THR A  36
 None
GOL  A 507 (-3.9A)
None
None
None
 0.96A 2gluA-4fi4A:
undetectable		 2gluA-4fi4A:
20.37
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.
2Q5K_A_AB1A201_2
(PROTEASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 GLY A  33
ALA A  89
GLY A 292
ILE A 293
VAL A  67
 None
 0.95A 2q5kB-4fi4A:
undetectable		 2q5kB-4fi4A:
12.47
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.
2YA7_B_ZMRB1776_2
(NEURAMINIDASE A)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		4 / 6 ARG A 343
ILE A 147
LEU A 202
GLU A 135
 None
 1.04A 2ya7B-4fi4A:
undetectable		 2ya7B-4fi4A:
24.18
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 10 ALA A  35
LEU A  48
ALA A   7
ILE A  23
LEU A  94
 None
 1.21A 3fl9F-4fi4A:
undetectable		 3fl9F-4fi4A:
16.86
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.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39A-4fi4A:
undetectable		 3k39A-4fi4A:
21.13
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39C-4fi4A:
undetectable		 3k39C-4fi4A:
21.13
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.
3K39_E_BCZE1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.45A 3k39E-4fi4A:
undetectable		 3k39E-4fi4A:
21.13
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.
3K39_F_BCZF1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39F-4fi4A:
undetectable		 3k39F-4fi4A:
21.13
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.
3K39_G_BCZG1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39G-4fi4A:
undetectable		 3k39G-4fi4A:
21.13
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.
3K39_H_BCZH1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39H-4fi4A:
undetectable		 3k39H-4fi4A:
21.13
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.
3K39_I_BCZI1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.45A 3k39I-4fi4A:
undetectable		 3k39I-4fi4A:
21.13
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.
3K39_K_BCZK1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39K-4fi4A:
undetectable		 3k39K-4fi4A:
21.13
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.
3K39_L_BCZL1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39L-4fi4A:
undetectable		 3k39L-4fi4A:
21.13
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.
3K39_M_BCZM1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.46A 3k39M-4fi4A:
undetectable		 3k39M-4fi4A:
21.13
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39O-4fi4A:
undetectable		 3k39O-4fi4A:
21.13
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 LEU A 233
LEU A 202
ILE A 147
THR A 132
ALA A 198
 None
 0.98A 3mdvB-4fi4A:
undetectable		 3mdvB-4fi4A:
24.54
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.
3OGQ_A_AB1A200_2
(FIV PROTEASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 GLY A  33
ALA A  93
ASP A  96
ILE A  97
ILE A  10
 None
 1.08A 3ogqB-4fi4A:
undetectable		 3ogqB-4fi4A:
15.17
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 ALA A  35
GLY A  33
MET A  92
PHE A  18
HIS A 289
 None
 1.38A 3pfgA-4fi4A:
2.2		 3pfgA-4fi4A:
21.48
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.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 11 GLY A  33
ALA A  89
GLY A 291
GLY A 292
ILE A 293
 None
 0.86A 3ufnA-4fi4A:
undetectable		 3ufnA-4fi4A:
13.88
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.
3VYW_A_SAMA501_0
(MNMC2)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 GLY A 370
GLY A 372
GLU A 367
ALA A 102
LEU A 109
 None
 1.03A 3vywA-4fi4A:
undetectable		 3vywA-4fi4A:
23.17
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.
4E7B_C_ACTC513_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		3 / 3 TYR A 160
HIS A 213
ARG A 148
 GOL  A 502 ( 4.6A)
GOL  A 502 (-4.4A)
None
 1.14A 4e7bC-4fi4A:
undetectable		 4e7bC-4fi4A:
23.54
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.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 12 SER A 163
PHE A 168
TYR A 169
ALA A 172
GLY A  15
 None
 1.38A 4j7xA-4fi4A:
undetectable		 4j7xA-4fi4A:
21.90
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 9 GLY A  33
ALA A  89
GLY A 292
ILE A 293
VAL A  67
 None
 1.02A 4q1wA-4fi4A:
undetectable		 4q1wA-4fi4A:
13.18
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.
4QGI_A_ROCA101_1
(PROTEASE)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 11 GLY A  33
ALA A  89
GLY A 292
ILE A 293
VAL A  67
 None
 0.89A 4qgiA-4fi4A:
undetectable		 4qgiA-4fi4A:
11.71
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.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		4 / 7 PHE A 234
ALA A 260
PRO A 258
LEU A 236
 None
None
GOL  A 504 (-4.4A)
None
 1.11A 5dzkD-4fi4A:
undetectable
5dzkR-4fi4A:
undetectable		 5dzkD-4fi4A:
21.09
5dzkR-4fi4A:
1.52
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.
5KR0_A_478A101_2
(PROTEASE E35D-APV)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 9 GLY A  33
ALA A  89
GLY A 292
ILE A 293
VAL A  67
 None
 1.04A 5kr0B-4fi4A:
undetectable		 5kr0B-4fi4A:
13.69
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		5 / 11 LEU A 228
GLU A 220
GLY A 222
VAL A 212
ALA A 191
 None
 0.91A 5o96A-4fi4A:
undetectable
5o96B-4fi4A:
undetectable		 5o96A-4fi4A:
19.85
5o96B-4fi4A:
19.85
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		3 / 3 HIS A 344
GLU A 170
ASN A  38
 None
None
GOL  A 502 (-3.8A)
 0.97A 5wbvA-4fi4A:
undetectable		 5wbvA-4fi4A:
19.58
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		3 / 3 HIS A 344
GLU A 170
ASN A  38
 None
None
GOL  A 502 (-3.8A)
 0.97A 5wbvB-4fi4A:
undetectable		 5wbvB-4fi4A:
19.58
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Caulobacter
sp.
K31) 		4 / 6 TRP A 403
LEU A 318
ASP A 238
GLU A 263
 None
None
MG  A 501 ( 4.5A)
MG  A 501 ( 2.5A)
 1.49A 6djzC-4fi4A:
undetectable		 6djzC-4fi4A:
20.34