SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3jug'

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.
1CD2_A_FOLA307_1
(DIHYDROFOLATE
REDUCTASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		3 / 3 GLU A 148
ILE A 145
ARG A 101
 None
 0.85A 1cd2A-3jugA:
undetectable		 1cd2A-3jugA:
20.51
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.
1KIJ_A_NOVA400_1
(DNA GYRASE SUBUNIT B)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 12 ASP A 208
ILE A 176
PRO A 177
ASP A 181
THR A 218
 None
 1.24A 1kijA-3jugA:
undetectable		 1kijA-3jugA:
23.15
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.
1PJ7_A_FFOA2887_1
(N,N-DIMETHYLGLYCINE
OXIDASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		3 / 3 ASP A 120
THR A 122
GLU A 253
 None
 0.77A 1pj7A-3jugA:
undetectable		 1pj7A-3jugA:
18.59
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 10 GLY A 255
GLU A 226
VAL A 263
GLY A 229
HIS A 223
 None
 1.14A 1pwyE-3jugA:
undetectable		 1pwyE-3jugA:
22.01
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.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		4 / 6 SER A 297
GLU A  76
SER A  68
ASP A 299
 None
 1.24A 2cl5B-3jugA:
undetectable		 2cl5B-3jugA:
20.90
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.
2RCT_A_RTLA140_1
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		3 / 3 GLN A 197
THR A 122
TRP A 282
 None
 1.09A 2rctA-3jugA:
undetectable		 2rctA-3jugA:
18.71
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		6 / 12 ASN A 157
GLU A 158
HIS A 223
TYR A 225
GLU A 253
TRP A 282
 None
 0.72A 2v3dA-3jugA:
15.1		 2v3dA-3jugA:
20.12
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 11 ASN A 157
GLU A 158
TYR A 225
GLU A 253
TRP A 282
 None
 0.81A 2v3dB-3jugA:
2.2		 2v3dB-3jugA:
20.12
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.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		4 / 6 SER A 297
GLU A  76
SER A  68
ASP A 299
 None
 1.27A 2zvjA-3jugA:
undetectable		 2zvjA-3jugA:
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.
3EKQ_A_ROCA100_2
(PROTEASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 9 LEU A 188
VAL A 116
ILE A 104
ILE A 145
ILE A 153
 None
 0.95A 3ekqB-3jugA:
undetectable		 3ekqB-3jugA:
15.50
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.
3EKW_B_DR7B100_2
(PROTEASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 12 ILE A  84
VAL A  85
GLY A  59
ALA A  73
ILE A  74
 None
 0.83A 3ekwB-3jugA:
undetectable		 3ekwB-3jugA:
15.50
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		4 / 6 MET A 112
LEU A 249
ILE A  71
ILE A  56
 None
 0.94A 3gcsA-3jugA:
undetectable		 3gcsA-3jugA:
23.94
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 12 TRP A 282
ASP A  88
GLU A 117
ALA A  61
GLY A  90
 None
 1.02A 4hfpD-3jugA:
undetectable		 4hfpD-3jugA:
20.40
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 12 ASN A 303
HIS A 304
ILE A  71
HIS A  58
THR A  66
 None
 0.92A 4pooA-3jugA:
undetectable		 4pooA-3jugA:
20.29
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 12 GLY A 302
ASN A 303
HIS A 304
HIS A  58
THR A  66
 None
 0.91A 4pooA-3jugA:
undetectable		 4pooA-3jugA:
20.29
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.
4XJE_A_TOYA202_1
(AADB)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		4 / 8 ASP A 244
TYR A 271
ASP A 240
ILE A 251
 None
 1.04A 4xjeA-3jugA:
undetectable		 4xjeA-3jugA:
21.53
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.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		4 / 5 ASP A  45
PHE A  51
PHE A  36
VAL A 113
 None
 1.14A 5a1rA-3jugA:
undetectable		 5a1rA-3jugA:
20.45
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		4 / 8 ASP A 244
TYR A 271
ASP A 240
ILE A 251
 None
 1.03A 5cfsA-3jugA:
undetectable		 5cfsA-3jugA:
21.53
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.
5IK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		4 / 5 PHE A 254
LEU A 319
GLY A 318
ILE A 268
 None
 0.99A 5ik1A-3jugA:
undetectable		 5ik1A-3jugA:
20.33
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.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 9 LEU A 188
VAL A 116
ILE A 104
ILE A 145
ILE A 153
 None
 1.05A 5kqxB-3jugA:
undetectable		 5kqxB-3jugA:
16.41
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.
5TIW_B_OAQB302_0
(SULFOTRANSFERASE)		 3jug BETA-MANNANASE
(Bacillus
sp.
N16-5) 		5 / 12 PRO A 214
ILE A 153
ASP A 213
LEU A 215
ILE A 138
 None
 1.30A 5tiwB-3jugA:
undetectable		 5tiwB-3jugA:
18.75