SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3thu'

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.
1KIJ_A_NOVA400_1
(DNA GYRASE SUBUNIT B)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 12 ASP A  96
ILE A 375
ASP A 378
LYS A 100
THR A  20
 None
 1.33A 1kijA-3thuA:
undetectable		 1kijA-3thuA:
23.41
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.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 11 LEU A 188
GLY A 222
GLY A 225
ILE A 212
LEU A 395
 None
 1.16A 1p91A-3thuA:
undetectable		 1p91A-3thuA:
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.
1QLT_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		4 / 5 PHE A 336
ILE A 338
TYR A 282
ARG A 309
 None
 1.39A 1qltA-3thuA:
undetectable		 1qltA-3thuA:
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.
1QLT_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		4 / 5 PHE A 336
ILE A 338
TYR A 282
ARG A 309
 None
 1.41A 1qltB-3thuA:
undetectable		 1qltB-3thuA:
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.
1RG1_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 TRP A 403
VAL A 392
PRO A 391
 None
 0.88A 1rg1A-3thuA:
1.9		 1rg1A-3thuA:
22.38
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)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 TRP A 403
VAL A 392
PRO A 391
 None
 0.87A 1rh0A-3thuA:
1.9		 1rh0A-3thuA:
22.38
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.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 LEU A 109
LEU A 110
SER A 332
 None
 0.61A 1tlmA-3thuA:
undetectable		 1tlmA-3thuA:
18.50
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.
1VIF_A_FOLA1_0
(DIHYDROFOLATE
REDUCTASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 GLN A 276
ILE A 275
TYR A 306
 None
 0.76A 1vifA-3thuA:
undetectable		 1vifA-3thuA:
10.12
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.
209D_C_DVAC2_0
(N8-ACTINOMYCIN D)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 THR A  83
PRO A  81
THR A  85
 CL  A 404 ( 4.9A)
CL  A 404 (-3.9A)
None
 0.76A 209dC-3thuA:
undetectable		 209dC-3thuA:
4.13
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.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 12 GLY A  33
ILE A  87
GLY A 291
GLY A 292
ILE A 293
 None
 0.80A 2avvA-3thuA:
undetectable		 2avvA-3thuA:
14.96
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.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 12 ASP A  96
LEU A  32
GLY A  31
VAL A 321
ALA A 324
 None
 1.22A 2kceB-3thuA:
undetectable		 2kceB-3thuA:
22.88
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.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 ARG A 148
VAL A 153
THR A 159
 UNX  A 408 ( 4.2A)
None
None
 0.86A 3cyxA-3thuA:
undetectable		 3cyxA-3thuA:
14.01
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_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 10 ALA A  35
LEU A  48
ALA A   7
ILE A  23
LEU A  94
 None
 1.24A 3fl9A-3thuA:
undetectable		 3fl9A-3thuA:
17.33
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 10 ALA A  35
LEU A  48
ALA A   7
ILE A  23
LEU A  94
 None
 1.16A 3fl9F-3thuA:
undetectable		 3fl9F-3thuA:
17.33
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 PRO A 334
PHE A 329
ALA A 300
 None
 0.65A 3itaD-3thuA:
1.2		 3itaD-3thuA:
22.47
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 UNX  A 408 ( 4.2A)
UNX  A 408 ( 2.8A)
UNX  A 407 ( 4.0A)
None
None
 1.43A 3k39O-3thuA:
undetectable		 3k39O-3thuA:
21.83
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_B_30BB500_2
(GENOME POLYPROTEIN)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 PHE A  18
TYR A 383
LEU A  21
 None
 0.80A 3keeB-3thuA:
undetectable		 3keeB-3thuA:
17.70
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)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 12 GLY A  33
ALA A  93
ASP A  96
ILE A  97
ILE A  10
 None
 1.08A 3ogqB-3thuA:
undetectable		 3ogqB-3thuA:
13.00
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 11 ILE A  10
ASP A  34
GLY A  33
ALA A  89
VAL A  52
 None
 1.18A 3rukD-3thuA:
undetectable		 3rukD-3thuA:
20.53
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 11 TYR A 160
LEU A 202
GLN A 150
ILE A 147
TYR A 187
 GOL  A 406 (-4.8A)
None
None
None
None
 1.36A 4a7aA-3thuA:
undetectable		 4a7aA-3thuA:
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 12 LEU A 371
PRO A 365
ALA A 113
LEU A 296
GLY A 291
 None
 1.17A 4l9qB-3thuA:
undetectable		 4l9qB-3thuA:
22.52
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.
4QWP_B_GCSB307_1
(CHITOSANASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		4 / 7 THR A 127
GLY A 126
THR A 128
VAL A 135
 None
 0.88A 4qwpB-3thuA:
undetectable		 4qwpB-3thuA:
20.71
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.
4XPB_A_COCA702_1
(TRANSPORTER)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 10 ASP A 165
VAL A 135
TYR A 139
SER A 163
GLY A 126
 None
 1.32A 4xpbA-3thuA:
undetectable		 4xpbA-3thuA:
22.55
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.
4XTA_B_DIFB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		4 / 8 ILE A 212
LEU A 274
LEU A 279
ILE A 251
 None
 0.83A 4xtaB-3thuA:
undetectable		 4xtaB-3thuA:
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.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		4 / 8 PRO A 105
GLY A 366
PRO A 365
ASP A 367
 None
 1.10A 5kf8A-3thuA:
undetectable		 5kf8A-3thuA:
20.76
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)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 HIS A 344
GLU A 170
ASN A  38
 None
None
GOL  A 406 (-3.7A)
 0.98A 5wbvA-3thuA:
undetectable		 5wbvA-3thuA:
18.54
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 HIS A 344
GLU A 170
ASN A  38
 None
None
GOL  A 406 (-3.7A)
 0.99A 5wbvB-3thuA:
undetectable		 5wbvB-3thuA:
18.54
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		4 / 6 TRP A 403
LEU A 318
ASP A 238
GLU A 263
 None
None
MG  A 500 ( 4.5A)
MG  A 500 ( 2.6A)
 1.48A 6djzC-3thuA:
undetectable		 6djzC-3thuA:
20.76