SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ops'

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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		5 / 12 LEU A 100
LEU A 103
GLY A 104
GLN A 107
MET A 295
 None
 1.01A 1gs4A-3opsA:
undetectable		 1gs4A-3opsA:
18.55
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.
1P93_D_DEXD4999_2
(GLUCOCORTICOID
RECEPTOR)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 5 LEU A 270
TRP A 288
LEU A 297
GLN A 283
 None
 1.29A 1p93D-3opsA:
undetectable		 1p93D-3opsA:
21.38
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.
2AOH_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 5 LEU A  22
GLY A  57
ALA A  20
ILE A  47
 None
 0.86A 2aohB-3opsA:
undetectable		 2aohB-3opsA:
15.34
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.
2IGT_C_SAMC1003_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 4 ASP A 187
ASP A 207
ASP A 139
GLY A  34
 None
MG  A 501 ( 2.8A)
None
None
 1.28A 2igtC-3opsA:
2.1		 2igtC-3opsA:
23.13
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		5 / 12 LEU A 100
LEU A 103
GLY A 104
GLN A 107
MET A 295
 None
 1.05A 2oz7A-3opsA:
undetectable		 2oz7A-3opsA:
19.00
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 7 ALA A  30
ASP A 338
TYR A 313
HIS A  39
 None
None
TAR  A 504 (-4.5A)
TAR  A 504 ( 4.6A)
 1.31A 2pncA-3opsA:
undetectable		 2pncA-3opsA:
18.40
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 7 ALA A 321
TYR A 317
TYR A 350
HIS A 324
 None
 1.23A 2pncA-3opsA:
undetectable		 2pncA-3opsA:
18.40
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.
2PNC_B_CLUB809_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 6 ALA A  30
ASP A 338
TYR A 313
HIS A  39
 None
None
TAR  A 504 (-4.5A)
TAR  A 504 ( 4.6A)
 1.34A 2pncB-3opsA:
undetectable		 2pncB-3opsA:
18.40
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.
2PNC_B_CLUB809_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 6 ALA A 321
TYR A 317
TYR A 350
HIS A 324
 None
 1.20A 2pncB-3opsA:
undetectable		 2pncB-3opsA:
18.40
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		5 / 12 LEU A 100
LEU A 103
GLY A 104
GLN A 107
MET A 295
 None
 1.13A 2q7lA-3opsA:
undetectable		 2q7lA-3opsA:
18.43
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.
2V0M_D_KLND1499_1
(CYTOCHROME P450 3A4)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 5 PHE A  81
PHE A 365
SER A  60
ILE A 287
 None
 1.25A 2v0mD-3opsA:
undetectable		 2v0mD-3opsA:
23.70
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.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		5 / 10 LEU A  87
LEU A 114
VAL A  99
ILE A   8
PHE A  81
 None
 1.14A 2w9hA-3opsA:
undetectable		 2w9hA-3opsA:
18.06
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 8 GLY A 174
HIS A 177
ILE A 190
ALA A 211
 None
 0.92A 2x0pA-3opsA:
undetectable		 2x0pA-3opsA:
20.79
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.
2Y7P_A_SALA1000_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		5 / 10 ILE A 286
GLY A 318
TYR A 317
GLY A 323
PHE A 365
 None
 1.35A 2y7pA-3opsA:
undetectable		 2y7pA-3opsA:
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.
2YQZ_B_SAMB401_1
(HYPOTHETICAL PROTEIN
TTHA0223)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 5 TYR A 136
ARG A  26
ASP A 207
ASP A 261
 TAR  A 504 (-4.2A)
None
MG  A 501 ( 2.8A)
MG  A 500 (-2.4A)
 1.49A 2yqzB-3opsA:
undetectable		 2yqzB-3opsA:
22.66
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.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		5 / 9 GLY A 174
GLY A 175
GLY A 183
TYR A 212
ASP A 187
 None
 1.10A 3ztvA-3opsA:
undetectable		 3ztvA-3opsA:
22.08
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.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		3 / 3 ARG A  28
ASP A 139
ASP A 144
 None
 0.80A 4kicB-3opsA:
undetectable		 4kicB-3opsA:
23.30
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		5 / 12 LEU A 100
LEU A 103
GLY A 104
GLN A 107
VAL A 359
 None
 1.09A 4ok1A-3opsA:
undetectable		 4ok1A-3opsA:
18.70
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.
5DQY_A_BEZA401_0
(THIOREDOXIN)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 8 ILE A 194
PHE A 167
VAL A 197
GLN A 158
 None
 1.16A 5dqyA-3opsA:
undetectable		 5dqyA-3opsA:
13.64
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.
5VLM_D_CVID301_0
(REGULATORY PROTEIN
TETR)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		5 / 12 MET A  64
TYR A 317
VAL A  99
ASP A  82
PHE A  81
 None
 1.32A 5vlmD-3opsA:
undetectable		 5vlmD-3opsA:
20.31
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.
6DWD_A_GLYA715_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		4 / 6 GLY A 305
ASP A 302
SER A 308
ARG A 307
 None
 0.93A 6dwdA-3opsA:
undetectable
6dwdC-3opsA:
undetectable		 6dwdA-3opsA:
23.41
6dwdC-3opsA:
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN
(Paenibacillus
sp.
Y412MC10) 		3 / 3 TRP A 231
GLU A 234
GLU A 336
 None
TAR  A 503 ( 3.0A)
TAR  A 504 (-3.2A)
 0.94A 6fhwA-3opsA:
undetectable		 6fhwA-3opsA:
12.27