SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NAE'


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.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 SER A 180
TYR A 193
GLY A 224
PRO A 225
PHE A 243
 NAE  A 311 (-3.2A)
NAE  A 311 (-4.6A)
NAE  A 311 (-4.7A)
NAE  A 311 (-4.9A)
NAE  A 311 (-4.8A)
 0.55A 1fdsA-3i3oA:
26.0		 1fdsA-3i3oA:
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.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 SER A 180
VAL A 182
LEU A 190
PRO A 225
PHE A 243
 NAE  A 311 (-3.2A)
NAE  A 311 (-4.6A)
None
NAE  A 311 (-4.9A)
NAE  A 311 (-4.8A)
 1.40A 1fdsA-3i3oA:
26.0		 1fdsA-3i3oA:
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 TYR A 193
LEU A 190
SER A 194
LEU A 147
ILE A 142
 NAE  A 311 (-4.6A)
None
None
None
None
 1.15A 1fmlA-3i3oA:
undetectable		 1fmlA-3i3oA:
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.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 TYR A 193
LEU A 190
SER A 194
LEU A 147
ILE A 142
 NAE  A 311 (-4.6A)
None
None
None
None
 1.15A 1fmlB-3i3oA:
undetectable		 1fmlB-3i3oA:
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.
1IEP_B_STIB202_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		4 / 7 VAL A 221
VAL A 182
ILE A 200
LEU A 190
 None
NAE  A 311 (-4.6A)
None
None
 0.98A 1iepB-3i3oA:
undetectable		 1iepB-3i3oA:
24.48
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.
1UDU_A_CIAA1003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 11 TYR A 262
ILE A  56
VAL A  60
PHE A  64
ILE A  73
 None
NAE  A 311 (-3.8A)
None
None
None
 1.21A 1uduA-3i3oA:
undetectable		 1uduA-3i3oA:
21.08
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.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 TYR A 262
ILE A  56
VAL A  60
PHE A  64
ILE A  73
 None
NAE  A 311 (-3.8A)
None
None
None
 1.11A 1xozA-3i3oA:
undetectable		 1xozA-3i3oA:
21.28
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		4 / 7 SER A 233
LEU A 230
GLY A  55
ILE A  73
 None
NAE  A 311 (-3.7A)
NAE  A 311 (-3.1A)
None
 0.92A 2bdmA-3i3oA:
undetectable		 2bdmA-3i3oA:
18.57
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.
2O4L_A_TPVA403_2
(PROTEASE)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		6 / 12 GLY A 101
ILE A  73
GLY A  51
VAL A 130
VAL A 113
ILE A 112
 None
None
NAE  A 311 (-3.5A)
NAE  A 311 (-3.5A)
None
None
 1.47A 2o4lB-3i3oA:
undetectable		 2o4lB-3i3oA:
18.12
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.
3FRQ_A_ERYA195_0
(REPRESSOR PROTEIN
MPHR(A))		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 TYR A 158
LEU A 103
SER A 167
ILE A 112
THR A 116
 None
NAE  A 311 (-3.9A)
None
None
None
 1.30A 3frqA-3i3oA:
undetectable		 3frqA-3i3oA:
21.36
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		4 / 6 PRO A 229
GLY A  80
GLU A  78
GLN A  87
 NAE  A 311 (-4.1A)
None
NAE  A 311 ( 2.9A)
None
 1.09A 4g0uA-3i3oA:
1.8		 4g0uA-3i3oA:
15.90
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.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		4 / 6 ILE A 226
VAL A 247
PHE A 243
THR A   9
 NAE  A 311 (-4.4A)
None
NAE  A 311 (-4.8A)
None
 1.19A 4xe5A-3i3oA:
undetectable		 4xe5A-3i3oA:
14.09
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		4 / 6 ASN A 187
ASP A 192
PRO A 223
VAL A 182
 None
None
NAE  A 311 (-4.0A)
NAE  A 311 (-4.6A)
 1.04A 4yoaA-3i3oA:
undetectable		 4yoaA-3i3oA:
15.65
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.
5TZO_B_7V7B202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		4 / 8 THR A 178
TYR A 158
THR A 204
ARG A 205
 NAE  A 311 (-3.9A)
None
None
None
 1.31A 5tzoB-3i3oA:
undetectable		 5tzoB-3i3oA:
21.00
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.
5WGG_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 TYR A 262
PRO A  29
THR A 228
THR A 178
VAL A 127
 None
None
NAE  A 311 (-2.9A)
NAE  A 311 (-3.9A)
None
 1.38A 5wggA-3i3oA:
1.5		 5wggA-3i3oA:
21.43
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.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ALA A 259
PRO A 260
ILE A  62
ASP A  53
GLY A  51
 None
None
None
MG  A 306 ( 2.5A)
NAE  A 311 (-3.5A)
 1.18A 5wwsB-3i3oA:
6.5		 5wwsB-3i3oA:
22.27
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		6 / 11 TYR A 158
ASN A 154
THR A  50
GLY A  51
ASP A  53
GLU A  78
 None
None
None
NAE  A 311 (-3.5A)
MG  A 306 ( 2.5A)
NAE  A 311 ( 2.9A)
 1.35A 6mb5A-3i3oA:
undetectable		 6mb5A-3i3oA:
13.19
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 11 TYR A 158
ASP A 102
THR A  50
GLY A  51
ASP A  53
 None
NAE  A 311 (-3.5A)
None
NAE  A 311 (-3.5A)
MG  A 306 ( 2.5A)
 1.48A 6mb5A-3i3oA:
undetectable		 6mb5A-3i3oA:
13.19
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.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 10 TYR A 158
ASN A 154
THR A  50
GLY A  51
ASP A  53
 None
None
None
NAE  A 311 (-3.5A)
MG  A 306 ( 2.5A)
 1.25A 6mb7A-3i3oA:
undetectable		 6mb7A-3i3oA:
13.19
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.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 10 TYR A 158
ASP A 102
THR A  50
GLY A  51
ASP A  53
 None
NAE  A 311 (-3.5A)
None
NAE  A 311 (-3.5A)
MG  A 306 ( 2.5A)
 1.47A 6mb9A-3i3oA:
undetectable		 6mb9A-3i3oA:
13.19
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.
6MB9_B_NMYB302_0
(AAC(3)-IIIB PROTEIN)		 3i3o SHORT CHAIN
DEHYDROGENASE
(Bacillus
anthracis) 		5 / 10 TYR A 158
ASP A 102
THR A  50
GLY A  51
ASP A  53
 None
NAE  A 311 (-3.5A)
None
NAE  A 311 (-3.5A)
MG  A 306 ( 2.5A)
 1.43A 6mb9B-3i3oA:
undetectable		 6mb9B-3i3oA:
13.19