SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NIO'


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.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 10 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.05A 1c9sN-3hrdB:
undetectable
1c9sO-3hrdB:
undetectable		 1c9sN-3hrdB:
13.64
1c9sO-3hrdB:
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.
1C9S_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.04A 1c9sP-3hrdB:
undetectable
1c9sQ-3hrdB:
undetectable		 1c9sP-3hrdB:
13.64
1c9sQ-3hrdB:
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.
1C9S_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 10 GLY A 354
GLY B  14
HIS A 323
ALA B  86
ILE B  15
 NO3  A5658 (-3.7A)
None
None
NIO  B5661 ( 3.7A)
None
 1.05A 1c9sL-3hrdA:
undetectable
1c9sV-3hrdA:
undetectable		 1c9sL-3hrdA:
10.39
1c9sV-3hrdA:
10.39
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.
1GTF_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.05A 1gtfQ-3hrdB:
undetectable
1gtfR-3hrdB:
undetectable		 1gtfQ-3hrdB:
13.64
1gtfR-3hrdB:
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.
1GTF_S_TRPS81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.06A 1gtfS-3hrdB:
undetectable
1gtfT-3hrdB:
undetectable		 1gtfS-3hrdB:
13.64
1gtfT-3hrdB:
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.
1GTN_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.08A 1gtnT-3hrdB:
undetectable
1gtnU-3hrdB:
undetectable		 1gtnT-3hrdB:
13.64
1gtnU-3hrdB:
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.
1GX8_A_RTLA1163_0
(BETA-LACTOGLOBULIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 9 LEU A 243
GLU A 216
LYS A  85
ILE A  83
VAL A 316
 MOS  B 920 ( 4.9A)
None
None
NIO  B5661 ( 4.7A)
NO3  A5658 (-4.6A)
 1.32A 1gx8A-3hrdA:
undetectable		 1gx8A-3hrdA:
16.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		 1fsl LEGHEMOGLOBIN A
(Glycine
max) 		5 / 7 PHE A  29
PHE A  44
PHE A  46
HIS A  61
HIS A  92
 NIO  A 145 ( 4.9A)
HEM  A 144 ( 3.8A)
NIO  A 145 (-4.8A)
HEM  A 144 ( 3.6A)
HEM  A 144 (-3.4A)
 0.89A 1lh6A-1fslA:
19.4		 1lh6A-1fslA:
55.56
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.
1UTD_S_TRPS81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.05A 1utdS-3hrdB:
undetectable
1utdT-3hrdB:
undetectable		 1utdS-3hrdB:
13.64
1utdT-3hrdB:
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.
1UTD_U_TRPU81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 10 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.08A 1utdU-3hrdB:
undetectable
1utdV-3hrdB:
undetectable		 1utdU-3hrdB:
13.64
1utdV-3hrdB:
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 CYH A 324
TYR B 182
THR B  18
THR A 318
 None
None
NIO  B5661 (-3.9A)
None
 1.38A 1ymxB-3hrdA:
undetectable		 1ymxB-3hrdA:
21.14
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.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 12 ALA B  86
GLY B  16
ASN B  22
THR A 318
PHE A 353
 NIO  B5661 ( 3.7A)
None
None
None
MOS  B 920 (-3.9A)
 1.04A 2c49A-3hrdB:
undetectable		 2c49A-3hrdB:
24.72
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.
2GL0_B_ADNB902_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 3o14 ANTI-ECFSIGMA
FACTOR, CHRR
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 11 ILE A 104
THR A  44
ALA A  43
VAL A  28
TYR A  49
 None
None
NIO  A 300 ( 3.9A)
None
None
 1.32A 2gl0B-3o14A:
undetectable
2gl0C-3o14A:
undetectable		 2gl0B-3o14A:
22.89
2gl0C-3o14A:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WT9_A_NIOA1216_1
(NICOTINAMIDASE)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		5 / 10 ASP A  32
ASP A  73
HIS A  75
TYR A 126
PHE A 160
 NIO  A 311 (-3.9A)
ZN  A 301 ( 2.5A)
ZN  A 301 (-3.4A)
None
None
 1.37A 2wt9A-3r2jA:
30.2		 2wt9A-3r2jA:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WT9_A_NIOA1216_1
(NICOTINAMIDASE)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		9 / 10 ASP A  32
PHE A  37
LEU A  44
ASP A  73
TRP A  89
HIS A  92
TYR A 126
ALA A 157
PHE A 160
 NIO  A 311 (-3.9A)
None
None
ZN  A 301 ( 2.5A)
NIO  A 311 (-3.4A)
ZN  A 301 ( 3.4A)
None
NIO  A 311 (-3.3A)
None
 0.42A 2wt9A-3r2jA:
30.2		 2wt9A-3r2jA:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WT9_B_NIOB1216_1
(NICOTINAMIDASE)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		8 / 9 ASP A  32
PHE A  37
LEU A  44
ASP A  73
TRP A  89
HIS A  92
ALA A 157
PHE A 160
 NIO  A 311 (-3.9A)
None
None
ZN  A 301 ( 2.5A)
NIO  A 311 (-3.4A)
ZN  A 301 ( 3.4A)
NIO  A 311 (-3.3A)
None
 0.40A 2wt9B-3r2jA:
30.1		 2wt9B-3r2jA:
37.70
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.
2YGO_A_PCFA1213_1
(WNT INHIBITORY
FACTOR 1)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		4 / 6 ILE B  15
ARG A 319
PRO B 290
VAL A 205
 None
NIO  B5661 (-4.3A)
None
None
 1.08A 2ygoA-3hrdB:
undetectable		 2ygoA-3hrdB:
19.70
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 3i45 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Rhodospirillum
rubrum) 		4 / 7 GLU A 237
TYR A 154
PHE A 208
TYR A 240
 None
NIO  A 500 (-3.6A)
NIO  A 500 (-3.4A)
None
 1.30A 3ku9B-3i45A:
2.5		 3ku9B-3i45A:
23.95
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		4 / 6 GLN A  34
HIS A  75
HIS A  92
ASP A  32
 None
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.4A)
NIO  A 311 (-3.9A)
 1.05A 3nvcA-3r2jA:
undetectable		 3nvcA-3r2jA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		6 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.42A 3o94A-2wt9A:
22.5		 3o94A-2wt9A:
31.98
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.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		6 / 11 ASP A  32
PHE A  37
LEU A  44
ASP A  73
HIS A  92
TYR A 126
 NIO  A 311 (-3.9A)
None
None
ZN  A 301 ( 2.5A)
ZN  A 301 ( 3.4A)
None
 0.49A 3o94A-3r2jA:
23.3		 3o94A-3r2jA:
28.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		6 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.38A 3o94B-2wt9A:
22.4		 3o94B-2wt9A:
31.98
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.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		6 / 11 ASP A  32
PHE A  37
LEU A  44
ASP A  73
HIS A  92
TYR A 126
 NIO  A 311 (-3.9A)
None
None
ZN  A 301 ( 2.5A)
ZN  A 301 ( 3.4A)
None
 0.49A 3o94B-3r2jA:
23.2		 3o94B-3r2jA:
28.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		6 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.41A 3o94C-2wt9A:
22.4		 3o94C-2wt9A:
31.98
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.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		6 / 11 ASP A  32
PHE A  37
LEU A  44
ASP A  73
HIS A  92
TYR A 126
 NIO  A 311 (-3.9A)
None
None
ZN  A 301 ( 2.5A)
ZN  A 301 ( 3.4A)
None
 0.49A 3o94C-3r2jA:
23.2		 3o94C-3r2jA:
28.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		6 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.42A 3o94D-2wt9A:
22.3		 3o94D-2wt9A:
31.98
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.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		6 / 11 ASP A  32
PHE A  37
LEU A  44
ASP A  73
HIS A  92
TYR A 126
 NIO  A 311 (-3.9A)
None
None
ZN  A 301 ( 2.5A)
ZN  A 301 ( 3.4A)
None
 0.50A 3o94D-3r2jA:
23.2		 3o94D-3r2jA:
28.02
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		 1fsl LEGHEMOGLOBIN A
(Glycine
max) 		5 / 12 PHE A  29
TYR A  30
HIS A  92
ALA A 132
TYR A 133
 NIO  A 145 ( 4.9A)
NIO  A 145 (-4.6A)
HEM  A 144 (-3.4A)
None
HEM  A 144 (-2.9A)
 0.80A 3ozuA-1fslA:
12.2		 3ozuA-1fslA:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_A_NIOA311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		8 / 9 ASP A  16
LEU A  27
ASP A  54
TRP A  86
HIS A  89
LYS A 114
ALA A 155
PHE A 158
 NIO  A1216 (-3.8A)
None
ZN  A1212 ( 2.6A)
NIO  A1216 (-3.3A)
ZN  A1212 ( 3.5A)
NIO  A1216 ( 4.5A)
NIO  A1216 (-3.8A)
None
 0.45A 3r2jA-2wt9A:
30.2		 3r2jA-2wt9A:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_B_NIOB311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		10 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
TRP A  86
HIS A  89
LYS A 114
TYR A 123
ALA A 155
PHE A 158
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
NIO  A1216 (-3.3A)
ZN  A1212 ( 3.5A)
NIO  A1216 ( 4.5A)
NIO  A1216 (-4.9A)
NIO  A1216 (-3.8A)
None
 0.55A 3r2jB-2wt9A:
29.5		 3r2jB-2wt9A:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_B_NIOB311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 11 ASP A  54
PHE A  21
LEU A  27
TYR A 123
PHE A 158
 ZN  A1212 ( 2.6A)
NIO  A1216 (-3.7A)
None
NIO  A1216 (-4.9A)
None
 1.37A 3r2jB-2wt9A:
29.5		 3r2jB-2wt9A:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 12 ASP A  16
ASP A  54
HIS A  89
TYR A 123
PHE A 158
 NIO  A1216 (-3.8A)
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
None
 1.32A 3r2jC-2wt9A:
30.3		 3r2jC-2wt9A:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		11 / 12 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  56
TRP A  86
HIS A  89
LYS A 114
TYR A 123
ALA A 155
PHE A 158
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 (-3.4A)
NIO  A1216 (-3.3A)
ZN  A1212 ( 3.5A)
NIO  A1216 ( 4.5A)
NIO  A1216 (-4.9A)
NIO  A1216 (-3.8A)
None
 0.45A 3r2jC-2wt9A:
30.3		 3r2jC-2wt9A:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_D_NIOD311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		10 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
TRP A  86
HIS A  89
LYS A 114
TYR A 123
ALA A 155
PHE A 158
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
NIO  A1216 (-3.3A)
ZN  A1212 ( 3.5A)
NIO  A1216 ( 4.5A)
NIO  A1216 (-4.9A)
NIO  A1216 (-3.8A)
None
 0.43A 3r2jD-2wt9A:
30.3		 3r2jD-2wt9A:
37.70
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 1fsl LEGHEMOGLOBIN A
(Glycine
max) 		5 / 12 PHE A  29
TYR A  30
VAL A 105
LEU A 109
TYR A 133
 NIO  A 145 ( 4.9A)
NIO  A 145 (-4.6A)
NIO  A 145 ( 4.0A)
None
HEM  A 144 (-2.9A)
 0.67A 4g1bA-1fslA:
13.5		 4g1bA-1fslA:
18.26
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 1fsl LEGHEMOGLOBIN A
(Glycine
max) 		5 / 12 TYR A  30
PHE A  44
VAL A 105
LEU A 109
TYR A 133
 NIO  A 145 (-4.6A)
HEM  A 144 ( 3.8A)
NIO  A 145 ( 4.0A)
None
HEM  A 144 (-2.9A)
 0.78A 4g1bA-1fslA:
13.5		 4g1bA-1fslA:
18.26
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3o14 ANTI-ECFSIGMA
FACTOR, CHRR
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 SER A  23
GLU A  64
GLU A  76
 NIO  A 300 ( 4.4A)
ZN  A 250 (-1.8A)
None
 0.67A 4ymgB-3o14A:
undetectable		 4ymgB-3o14A:
23.17
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		 3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN
(Leishmania
infantum) 		4 / 8 LEU A 102
ASP A  32
ALA A  70
VAL A  69
 None
NIO  A 311 (-3.9A)
None
None
 0.88A 4zbqA-3r2jA:
undetectable		 4zbqA-3r2jA:
15.27
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 12 PHE B 179
VAL B 181
SER B  87
ALA B  86
ALA B  83
 None
None
MCN  B 921 (-4.2A)
NIO  B5661 ( 3.7A)
None
 1.16A 5n0oB-3hrdB:
undetectable		 5n0oB-3hrdB:
20.80
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.
5YBB_B_SAMB601_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 3i45 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Rhodospirillum
rubrum) 		5 / 12 THR A  21
ASP A  54
LEU A  87
ASN A  12
PRO A 105
 None
None
None
None
NIO  A 500 (-4.7A)
 1.48A 5ybbB-3i45A:
3.3		 5ybbB-3i45A:
22.87
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.10A 6ew0B-3hrdB:
undetectable		 6ew0B-3hrdB:
14.42
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.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.09A 6ew0D-3hrdB:
undetectable		 6ew0D-3hrdB:
14.42
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.
6EW0_F_TA1F502_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.09A 6ew0F-3hrdB:
undetectable		 6ew0F-3hrdB:
14.42
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.
6EW0_G_TA1G501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 6 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.10A 6ew0G-3hrdB:
undetectable		 6ew0G-3hrdB:
14.42
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.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.09A 6ew0H-3hrdB:
undetectable		 6ew0H-3hrdB:
14.42
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.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.09A 6ew0I-3hrdB:
undetectable		 6ew0I-3hrdB:
14.42