SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5x1n'

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.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 ILE A 104
LEU A 277
PRO A 278
ILE A 264
THR A  78
 None
 1.00A 1dhjB-5x1nA:
undetectable		 1dhjB-5x1nA:
15.14
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.
1HK3_A_T44A3003_1
(SERUM ALBUMIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		3 / 4 LYS A 225
ALA A 226
MET A 199
 None
 1.07A 1hk3A-5x1nA:
undetectable		 1hk3A-5x1nA:
21.86
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 7 PRO A 368
ALA A 370
SER A 397
ALA A 403
 None
 1.06A 1k5qA-5x1nA:
undetectable
1k5qB-5x1nA:
undetectable		 1k5qA-5x1nA:
16.30
1k5qB-5x1nA:
22.30
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.
1L5Q_B_CFFB1864_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		3 / 3 TRP A 276
HIS A 144
MET A 130
 None
 1.34A 1l5qB-5x1nA:
undetectable		 1l5qB-5x1nA:
20.42
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.
1MUI_B_AB1B100_1
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 10 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.25A 1muiA-5x1nA:
undetectable		 1muiA-5x1nA:
15.67
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.
1SDV_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 11 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.24A 1sdvB-5x1nA:
undetectable		 1sdvB-5x1nA:
14.36
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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 7 ARG A 122
ASN A 371
TYR A  31
TRP A 256
 DHB  A 502 (-3.7A)
EDO  A 503 (-4.8A)
DHB  A 502 (-4.6A)
THG  A 501 ( 3.3A)
 1.35A 1tdnA-5x1nA:
undetectable		 1tdnA-5x1nA:
22.34
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.
1TKQ_A_DVAA6_0
(MINI-GRAMICIDIN A)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		3 / 3 ALA A 171
VAL A  53
TRP A  48
 None
 0.92A 1tkqA-5x1nA:
undetectable		 1tkqA-5x1nA:
2.61
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.
2G70_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 7 GLY A 343
TYR A 396
ASP A 344
ASN A 342
 None
 1.09A 2g70A-5x1nA:
undetectable		 2g70A-5x1nA:
21.26
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.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 6 GLY A 343
TYR A 396
ASP A 344
ASN A 342
 None
 1.05A 2g72A-5x1nA:
undetectable		 2g72A-5x1nA:
21.26
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.
2G72_B_SAMB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 7 GLY A 343
TYR A 396
ASP A 344
ASN A 342
 None
 1.08A 2g72B-5x1nA:
undetectable		 2g72B-5x1nA:
21.26
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.
2IDW_B_017B401_2
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 9 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.18A 2idwB-5x1nA:
undetectable		 2idwB-5x1nA:
14.36
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.
2NMY_A_ROCA401_1
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 12 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.24A 2nmyA-5x1nA:
undetectable		 2nmyA-5x1nA:
14.36
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.
2VXA_A_RBFA200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 163
ARG A 227
GLN A 223
HIS A  60
 THG  A 501 ( 4.4A)
None
None
DHB  A 502 (-4.3A)
 1.37A 2vxaA-5x1nA:
undetectable
2vxaC-5x1nA:
undetectable
2vxaE-5x1nA:
undetectable		 2vxaA-5x1nA:
9.25
2vxaC-5x1nA:
9.25
2vxaE-5x1nA:
9.25
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.
2VXA_B_RBFB200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.31A 2vxaA-5x1nA:
undetectable
2vxaB-5x1nA:
undetectable
2vxaK-5x1nA:
undetectable		 2vxaA-5x1nA:
9.25
2vxaB-5x1nA:
9.25
2vxaK-5x1nA:
9.25
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.
2VXA_C_RBFC200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.33A 2vxaB-5x1nA:
undetectable
2vxaC-5x1nA:
undetectable
2vxaG-5x1nA:
undetectable		 2vxaB-5x1nA:
9.25
2vxaC-5x1nA:
9.25
2vxaG-5x1nA:
9.25
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.
2VXA_D_RBFD200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 163
ARG A 227
GLN A 223
HIS A  60
 THG  A 501 ( 4.4A)
None
None
DHB  A 502 (-4.3A)
 1.32A 2vxaD-5x1nA:
undetectable
2vxaF-5x1nA:
undetectable
2vxaI-5x1nA:
undetectable		 2vxaD-5x1nA:
9.25
2vxaF-5x1nA:
9.25
2vxaI-5x1nA:
9.25
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.
2VXA_E_RBFE200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.36A 2vxaD-5x1nA:
undetectable
2vxaE-5x1nA:
undetectable
2vxaL-5x1nA:
undetectable		 2vxaD-5x1nA:
9.25
2vxaE-5x1nA:
9.25
2vxaL-5x1nA:
9.25
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.
2VXA_H_RBFH200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 HIS A  60
ARG A 227
GLN A 223
ARG A 163
 DHB  A 502 (-4.3A)
None
None
THG  A 501 ( 4.4A)
 1.34A 2vxaB-5x1nA:
undetectable
2vxaG-5x1nA:
undetectable
2vxaH-5x1nA:
undetectable		 2vxaB-5x1nA:
9.25
2vxaG-5x1nA:
9.25
2vxaH-5x1nA:
9.25
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.
2VXA_I_RBFI200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.33A 2vxaH-5x1nA:
undetectable
2vxaI-5x1nA:
undetectable
2vxaJ-5x1nA:
undetectable		 2vxaH-5x1nA:
9.25
2vxaI-5x1nA:
9.25
2vxaJ-5x1nA:
9.25
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.
2VXA_J_RBFJ200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 HIS A  60
ARG A 163
ARG A 227
GLN A 223
 DHB  A 502 (-4.3A)
THG  A 501 ( 4.4A)
None
None
 1.35A 2vxaD-5x1nA:
undetectable
2vxaJ-5x1nA:
undetectable
2vxaL-5x1nA:
undetectable		 2vxaD-5x1nA:
9.25
2vxaJ-5x1nA:
9.25
2vxaL-5x1nA:
9.25
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.
2VXA_K_RBFK200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 HIS A  60
ARG A 227
GLN A 223
ARG A 163
 DHB  A 502 (-4.3A)
None
None
THG  A 501 ( 4.4A)
 1.36A 2vxaH-5x1nA:
undetectable
2vxaJ-5x1nA:
undetectable
2vxaK-5x1nA:
undetectable		 2vxaH-5x1nA:
9.25
2vxaJ-5x1nA:
9.25
2vxaK-5x1nA:
9.25
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.
2VXA_L_RBFL200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 HIS A  60
ARG A 227
GLN A 223
ARG A 163
 DHB  A 502 (-4.3A)
None
None
THG  A 501 ( 4.4A)
 1.36A 2vxaA-5x1nA:
undetectable
2vxaK-5x1nA:
undetectable
2vxaL-5x1nA:
undetectable		 2vxaA-5x1nA:
9.25
2vxaK-5x1nA:
9.25
2vxaL-5x1nA:
9.25
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.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 MET A  61
ASP A 106
ILE A 108
VAL A 120
PHE A 189
 THG  A 501 (-3.4A)
None
THG  A 501 (-3.7A)
THG  A 501 (-4.0A)
THG  A 501 (-4.1A)
 0.54A 3a8iA-5x1nA:
28.2		 3a8iA-5x1nA:
26.49
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.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 MET A  61
ASP A 106
ILE A 108
VAL A 120
PHE A 189
 THG  A 501 (-3.4A)
None
THG  A 501 (-3.7A)
THG  A 501 (-4.0A)
THG  A 501 (-4.1A)
 0.53A 3a8iB-5x1nA:
28.0		 3a8iB-5x1nA:
26.49
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.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 MET A  61
ASP A 106
ILE A 108
VAL A 120
PHE A 189
 THG  A 501 (-3.4A)
None
THG  A 501 (-3.7A)
THG  A 501 (-4.0A)
THG  A 501 (-4.1A)
 0.57A 3a8iD-5x1nA:
28.2		 3a8iD-5x1nA:
26.49
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ASN A 303
ILE A 328
PHE A 315
TYR A 305
 None
 1.49A 3ccfB-5x1nA:
undetectable		 3ccfB-5x1nA:
21.68
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.
3D9L_A_ACTA501_0
(CTD-PEPTIDE
RNA-BINDING PROTEIN
16)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 5 PRO A  96
ILE A  80
PRO A 304
TYR A 309
 None
 1.00A 3d9lA-5x1nA:
undetectable
3d9lY-5x1nA:
undetectable		 3d9lA-5x1nA:
15.07
3d9lY-5x1nA:
2.85
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.
3EBZ_B_017B201_2
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 11 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 230
 None
 1.14A 3ebzB-5x1nA:
undetectable		 3ebzB-5x1nA:
16.71
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.
3EKQ_A_ROCA100_1
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 12 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.20A 3ekqA-5x1nA:
undetectable		 3ekqA-5x1nA:
14.49
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.
3EKT_D_017D200_2
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 11 GLY A 168
ALA A 171
ASP A 173
ILE A 240
ILE A 166
 None
 1.11A 3ektD-5x1nA:
undetectable		 3ektD-5x1nA:
14.49
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.
3EKV_A_478A200_1
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 10 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.18A 3ekvA-5x1nA:
undetectable		 3ekvA-5x1nA:
14.49
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.
3GGU_B_017B201_2
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 9 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
 None
 1.05A 3gguB-5x1nA:
undetectable		 3gguB-5x1nA:
12.02
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		3 / 3 ARG A 122
ILE A  26
THR A 430
 DHB  A 502 (-3.7A)
None
None
 0.68A 3ia4D-5x1nA:
undetectable		 3ia4D-5x1nA:
18.75
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.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 10 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.22A 3ttpA-5x1nA:
undetectable		 3ttpA-5x1nA:
11.39
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.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 10 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.20A 3ttpB-5x1nA:
undetectable		 3ttpB-5x1nA:
11.39
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.
3U7S_A_017A202_2
(POL POLYPROTEIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 9 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
 None
 1.05A 3u7sB-5x1nA:
undetectable		 3u7sB-5x1nA:
11.76
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.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A 101
ILE A  80
VAL A  97
PHE A 315
ALA A 327
 None
 1.11A 4a6dA-5x1nA:
undetectable		 4a6dA-5x1nA:
20.58
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.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A 101
ILE A  80
VAL A  97
PHE A 315
ALA A 327
 None
 1.08A 4a6eA-5x1nA:
undetectable		 4a6eA-5x1nA:
20.58
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.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 9 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
 None
 1.06A 4dqcB-5x1nA:
undetectable		 4dqcB-5x1nA:
14.83
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		3 / 3 ARG A 163
TRP A 162
GLY A 218
 THG  A 501 ( 4.4A)
None
None
 1.03A 4e7cA-5x1nA:
undetectable		 4e7cA-5x1nA:
22.80
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.
4LL3_A_017A201_2
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 10 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.16A 4ll3B-5x1nA:
undetectable		 4ll3B-5x1nA:
16.24
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.
4LL3_A_017A202_1
(PROTEASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		6 / 10 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
ILE A 166
 None
 1.16A 4ll3A-5x1nA:
undetectable		 4ll3A-5x1nA:
16.24
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.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A 429
GLN A 440
ALA A 377
GLY A 289
TYR A 300
 TRS  A 505 (-3.8A)
None
None
EDO  A 503 (-3.9A)
None
 1.29A 4r29A-5x1nA:
undetectable		 4r29A-5x1nA:
17.99
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.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 5 GLY A 321
ARG A 322
GLU A 326
PHE A 315
 None
 1.09A 4r82A-5x1nA:
undetectable
4r82B-5x1nA:
undetectable		 4r82A-5x1nA:
17.41
4r82B-5x1nA:
17.41
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 5 TYR A 220
SER A 161
GLU A 215
ASP A  63
 None
None
THG  A 501 (-2.8A)
None
 1.37A 4xueA-5x1nA:
undetectable		 4xueA-5x1nA:
16.74
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.
5A06_D_SORD1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 5 ALA A 377
ARG A  22
ALA A 373
GLU A 425
 None
None
EDO  A 503 ( 4.7A)
None
 1.37A 5a06C-5x1nA:
undetectable
5a06D-5x1nA:
undetectable		 5a06C-5x1nA:
21.40
5a06D-5x1nA:
21.40
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.
5E72_A_SAMA400_0
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A 105
ILE A 104
ILE A 328
ALA A 324
THR A  98
 None
 1.04A 5e72A-5x1nA:
undetectable		 5e72A-5x1nA:
21.75
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.
5E72_A_SAMA400_0
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 ILE A 328
ILE A 104
ALA A 263
PRO A  99
LEU A 270
 None
 1.02A 5e72A-5x1nA:
undetectable		 5e72A-5x1nA:
21.75
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 TRP A  41
GLU A  37
PRO A 368
ASP A 366
 None
 1.08A 5kgpA-5x1nA:
undetectable		 5kgpA-5x1nA:
21.82
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.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 TRP A  41
GLU A  37
PRO A 368
ASP A 366
 None
 1.11A 5kgpB-5x1nA:
undetectable		 5kgpB-5x1nA:
21.82
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.
5LSA_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 4 TYR A 220
SER A 161
GLU A 215
ASP A  63
 None
None
THG  A 501 (-2.8A)
None
 1.34A 5lsaA-5x1nA:
undetectable		 5lsaA-5x1nA:
17.66
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.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 ALA A 287
GLY A 286
SER A 285
GLU A   8
LEU A 277
 None
EDO  A 504 (-3.2A)
None
None
None
 1.24A 5nwuA-5x1nA:
undetectable		 5nwuA-5x1nA:
7.21
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.
5T7B_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 7 LEU A 369
TYR A 396
LEU A 252
GLU A 253
 None
 1.05A 5t7bA-5x1nA:
undetectable		 5t7bA-5x1nA:
19.77
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.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		5 / 12 LEU A  21
ILE A  26
ILE A 288
GLY A 289
SER A 285
 EDO  A 504 ( 4.2A)
None
None
EDO  A 503 (-3.9A)
None
 1.16A 5twjC-5x1nA:
undetectable		 5twjC-5x1nA:
17.35
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 7 LEU A  64
TYR A 273
GLU A 283
SER A 281
 None
 1.19A 5umwA-5x1nA:
undetectable
5umwF-5x1nA:
undetectable		 5umwA-5x1nA:
8.86
5umwF-5x1nA:
8.86