SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3u9i'

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.
1EKJ_G_ACTG3009_0
(BETA-CARBONIC
ANHYDRASE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
4 / 5 GLY A 241
LEU A 245
THR A 246
VAL A 234
None
1.11A 1ekjF-3u9iA:
undetectable
1ekjG-3u9iA:
undetectable
1ekjF-3u9iA:
19.60
1ekjG-3u9iA:
19.60
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.
1ESW_A_ACRA652_1
(AMYLOMALTASE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
4 / 6 TYR A  51
GLY A  50
ASP A 114
GLY A 365
None
0.98A 1eswA-3u9iA:
3.8
1eswA-3u9iA:
22.16
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.
1YA3_B_STRB2001_1
(MINERALOCORTICOID
RECEPTOR)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 MET A 315
SER A 318
LEU A 281
LEU A 333
THR A 140
None
1.46A 1ya3B-3u9iA:
undetectable
1ya3B-3u9iA:
18.67
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.
2QD4_B_CHDB927_0
(FERROCHELATASE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
3 / 3 LEU A  97
PRO A  98
ARG A  76
None
0.56A 2qd4B-3u9iA:
undetectable
2qd4B-3u9iA:
21.91
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
3 / 3 MET A 282
VAL A 317
GLU A 109
None
0.77A 3c6gA-3u9iA:
undetectable
3c6gA-3u9iA:
19.61
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.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 10 ILE A 295
ILE A 292
GLY A 285
PRO A  95
ARG A  88
None
1.22A 3elzB-3u9iA:
undetectable
3elzB-3u9iA:
14.75
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.
3ELZ_C_CHDC151_0
(ILEAL BILE
ACID-BINDING PROTEIN)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 10 ILE A 295
ILE A 292
GLY A 285
PRO A  95
ARG A  88
None
1.27A 3elzC-3u9iA:
undetectable
3elzC-3u9iA:
14.75
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 LEU A 200
LEU A 216
LEU A 220
GLY A 221
HIS A 223
None
1.33A 3g1uA-3u9iA:
undetectable
3g1uA-3u9iA:
23.69
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.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 LEU A 200
LEU A 216
LEU A 220
GLY A 221
HIS A 223
None
1.34A 3g1uB-3u9iA:
undetectable
3g1uB-3u9iA:
23.69
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 LEU A 200
LEU A 216
LEU A 220
GLY A 221
HIS A 223
None
1.33A 3g1uD-3u9iA:
undetectable
3g1uD-3u9iA:
23.69
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 LEU A 200
LEU A 216
LEU A 220
GLY A 221
HIS A 223
None
1.32A 3glqA-3u9iA:
2.3
3glqA-3u9iA:
24.80
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 LEU A 200
LEU A 216
LEU A 220
GLY A 221
HIS A 223
None
1.30A 3glqB-3u9iA:
2.1
3glqB-3u9iA:
24.80
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.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 11 GLU A  53
LEU A  17
ILE A  19
PHE A 338
SER A 318
None
1.48A 3ko0C-3u9iA:
undetectable
3ko0D-3u9iA:
undetectable
3ko0E-3u9iA:
undetectable
3ko0F-3u9iA:
undetectable
3ko0C-3u9iA:
13.30
3ko0D-3u9iA:
13.30
3ko0E-3u9iA:
13.30
3ko0F-3u9iA:
13.30
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.
3KO0_E_TFPE202_1
(PROTEIN S100-A4)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 11 SER A 318
LEU A  17
ILE A  19
PHE A 338
GLU A  53
None
1.44A 3ko0C-3u9iA:
undetectable
3ko0D-3u9iA:
undetectable
3ko0E-3u9iA:
undetectable
3ko0F-3u9iA:
undetectable
3ko0C-3u9iA:
13.30
3ko0D-3u9iA:
13.30
3ko0E-3u9iA:
13.30
3ko0F-3u9iA:
13.30
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.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 11 LEU A  17
ILE A  19
PHE A 338
GLU A  53
SER A 318
None
1.48A 3ko0O-3u9iA:
undetectable
3ko0P-3u9iA:
undetectable
3ko0Q-3u9iA:
undetectable
3ko0R-3u9iA:
undetectable
3ko0O-3u9iA:
13.30
3ko0P-3u9iA:
13.30
3ko0Q-3u9iA:
13.30
3ko0R-3u9iA:
13.30
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 10 SER A 318
LEU A  17
ILE A  19
PHE A 338
GLU A  53
None
1.46A 3ko0O-3u9iA:
undetectable
3ko0P-3u9iA:
undetectable
3ko0Q-3u9iA:
undetectable
3ko0R-3u9iA:
undetectable
3ko0O-3u9iA:
13.30
3ko0P-3u9iA:
13.30
3ko0Q-3u9iA:
13.30
3ko0R-3u9iA:
13.30
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.
3KO0_T_TFPT202_1
(PROTEIN S100-A4)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 11 SER A 318
GLU A  53
LEU A  17
ILE A  19
PHE A 338
None
1.44A 3ko0Q-3u9iA:
undetectable
3ko0R-3u9iA:
undetectable
3ko0S-3u9iA:
undetectable
3ko0T-3u9iA:
undetectable
3ko0Q-3u9iA:
13.30
3ko0R-3u9iA:
13.30
3ko0S-3u9iA:
13.30
3ko0T-3u9iA:
13.30
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.
3OXC_A_ROCA401_2
(PROTEASE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
3 / 3 ARG A 119
LEU A  44
THR A   4
None
0.74A 3oxcA-3u9iA:
undetectable
3oxcA-3u9iA:
13.23
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.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 LEU A  12
THR A  13
GLY A  50
ALA A 111
ALA A 107
None
1.13A 3p5nA-3u9iA:
undetectable
3p5nA-3u9iA:
18.95
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.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 LEU A  12
THR A  13
GLY A  50
ALA A 111
ALA A 107
None
1.14A 3p5nB-3u9iA:
undetectable
3p5nB-3u9iA:
18.95
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 10 ALA A 190
ILE A 166
ALA A 152
ALA A 153
ILE A 141
None
0.98A 4lbgA-3u9iA:
undetectable
4lbgA-3u9iA:
27.62
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 9 ALA A 190
ILE A 166
ALA A 152
ALA A 153
ILE A 141
None
0.99A 4lbgB-3u9iA:
undetectable
4lbgB-3u9iA:
27.62
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.
5A7M_A_ACTA1923_0
(BETA-XYLOSIDASE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
3 / 3 ASP A 114
ARG A 118
TYR A  51
None
0.75A 5a7mA-3u9iA:
3.7
5a7mA-3u9iA:
19.41
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.
5A7M_B_ACTB1924_0
(BETA-XYLOSIDASE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
3 / 3 ASP A 114
ARG A 118
TYR A  51
None
0.75A 5a7mB-3u9iA:
3.7
5a7mB-3u9iA:
19.41
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.
5DZK_2_BEZ2801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
4 / 4 LEU A 200
ARG A 187
ILE A 188
ILE A 168
None
0.96A 5dzk2-3u9iA:
undetectable
5dzkM-3u9iA:
2.0
5dzkN-3u9iA:
undetectable
5dzk2-3u9iA:
0.51
5dzkM-3u9iA:
21.93
5dzkN-3u9iA:
21.93
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.
5DZK_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
4 / 4 ILE A 188
ILE A 168
ARG A 187
LEU A 200
None
1.04A 5dzkh-3u9iA:
undetectable
5dzkn-3u9iA:
undetectable
5dzkv-3u9iA:
undetectable
5dzkh-3u9iA:
21.93
5dzkn-3u9iA:
21.93
5dzkv-3u9iA:
0.51
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 9 ALA A  35
GLU A 310
PRO A 336
LEU A 339
ILE A  19
None
1.25A 5i73A-3u9iA:
undetectable
5i73A-3u9iA:
21.44
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.
5KC4_E_RBFE201_1
(RIBOFLAVIN
TRANSPORTER RIBU)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 12 GLU A 257
LEU A 242
ASP A 203
GLY A 204
ALA A 210
SO4  A 374 ( 4.3A)
None
SO4  A 374 (-3.1A)
None
None
1.26A 5kc4E-3u9iA:
undetectable
5kc4E-3u9iA:
20.05
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.
5OG9_A_TESA503_1
(-)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
5 / 9 VAL A  40
ILE A  90
MET A 100
LEU A  97
ALA A 111
None
1.16A 5og9A-3u9iA:
undetectable
5og9A-3u9iA:
22.13
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.
5VOO_B_C2FB702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
4 / 5 ASP A 256
ASN A 278
ASP A 332
ARG A 187
SO4  A 374 (-3.1A)
None
None
None
1.25A 5vooB-3u9iA:
10.8
5vooB-3u9iA:
26.95
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.
5VOO_D_C2FD3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus
sp.
RS-1)
4 / 5 ASP A 256
ASN A 278
ASP A 332
ARG A 187
SO4  A 374 (-3.1A)
None
None
None
1.22A 5vooD-3u9iA:
9.8
5vooD-3u9iA:
26.95