SIMILAR PATTERNS OF AMINO ACIDS FOR 3NVK_I_SAMI228

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1eq9 CHYMOTRYPSIN

(Solenopsis
invicta) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 0.98A 3nvkI-1eq9A:
undetectable		 3nvkI-1eq9A:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		6 LYS A  58
ALA A  83
ILE A 104
ASP A 130
ASP A 150
GLU A 217
 None
 1.34A 3nvkI-1fbnA:
34.0		 3nvkI-1fbnA:
53.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		9 LYS A  58
GLY A  82
ILE A 104
ASP A 130
ALA A 131
ASP A 150
VAL A 151
GLN A 153
GLU A 217
 None
 0.87A 3nvkI-1fbnA:
34.0		 3nvkI-1fbnA:
53.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 THR A  88
ILE A 104
ALA A 131
ASP A 150
GLU A 217
 None
 0.85A 3nvkI-1fbnA:
34.0		 3nvkI-1fbnA:
53.59
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.
1gvz KALLIKREIN-1E2

(Equus caballus) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 1.09A 3nvkI-1gvzA:
undetectable		 3nvkI-1gvzA:
23.02
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.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 LYS E  16
GLY E 197
ILE E 212
ALA E  55
ASP E 194
 None
 1.02A 3nvkI-1h9hE:
undetectable		 3nvkI-1h9hE:
20.16
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.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		5 LYS H  16
GLY H 197
ILE H 212
ALA H  55
ASP H 194
 None
 1.12A 3nvkI-1kigH:
undetectable		 3nvkI-1kigH:
19.27
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 427
ALA A 441
VAL A 425
GLN A 353
GLU A 377
 None
 0.90A 3nvkI-1mdfA:
undetectable		 3nvkI-1mdfA:
17.71
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.
1npm NEUROPSIN

(Mus musculus) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 1.07A 3nvkI-1npmA:
undetectable		 3nvkI-1npmA:
18.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		7 LYS A  42
GLY A  65
ALA A  67
ASP A 113
ALA A 114
ASP A 133
GLN A 136
 SAM  A 301 (-3.0A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
 0.71A 3nvkI-1nt2A:
29.4		 3nvkI-1nt2A:
42.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		7 LYS A  42
GLY A  65
ALA A  67
THR A  71
ASP A 113
ALA A 114
ASP A 133
 SAM  A 301 (-3.0A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
 0.83A 3nvkI-1nt2A:
29.4		 3nvkI-1nt2A:
42.80
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.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 1.07A 3nvkI-1op2A:
undetectable		 3nvkI-1op2A:
21.54
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.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		5 LYS C  16
GLY C 197
ILE C 212
ALA C  55
ASP C 194
 None
 1.12A 3nvkI-1pfxC:
undetectable		 3nvkI-1pfxC:
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 ALA A 181
ILE A  26
ALA A  27
ASP A 219
VAL A 178
 None
 1.00A 3nvkI-1smlA:
undetectable		 3nvkI-1smlA:
20.30
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.
1ton TONIN

(Rattus rattus) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 1.04A 3nvkI-1tonA:
undetectable		 3nvkI-1tonA:
19.78
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.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 GLY A 180
ASP A 209
ALA A 210
VAL A 177
GLU A  42
 PLP  A 413 (-3.5A)
CA  A2001 (-2.9A)
CA  A2001 ( 4.4A)
PLP  A 413 ( 4.4A)
None
 1.09A 3nvkI-1ve5A:
2.3		 3nvkI-1ve5A:
19.75
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.
1xzn PYRR BIFUNCTIONAL
PROTEIN

([Bacillus]
caldolyticus) 		PF00156
(Pribosyltran) 		5 ALA A  15
PHE A 148
ASP A 147
ALA A 146
VAL A 133
 None
 1.09A 3nvkI-1xznA:
undetectable		 3nvkI-1xznA:
24.15
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.
1xzn PYRR BIFUNCTIONAL
PROTEIN

([Bacillus]
caldolyticus) 		PF00156
(Pribosyltran) 		5 GLY A 150
ALA A  15
PHE A 148
ALA A 146
VAL A 133
 None
 1.15A 3nvkI-1xznA:
undetectable		 3nvkI-1xznA:
24.15
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.
1zjj HYPOTHETICAL PROTEIN
PH1952

(Pyrococcus
horikoshii) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 GLY A 209
THR A 214
ILE A 227
ASP A   7
VAL A  11
 None
None
None
MG  A1001 (-2.6A)
None
 1.05A 3nvkI-1zjjA:
undetectable		 3nvkI-1zjjA:
24.03
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.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 1.07A 3nvkI-1zlrA:
undetectable		 3nvkI-1zlrA:
23.22
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.
2aip PROTEIN C ACTIVATOR

(Agkistrodon
contortrix) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 0.91A 3nvkI-2aipA:
undetectable		 3nvkI-2aipA:
22.93
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.
2aya DNA POLYMERASE III
SUBUNIT TAU

(Escherichia
coli) 		PF12170
(DNA_pol3_tau_5) 		5 ALA A 115
ILE A 122
ASP A 124
ALA A 123
GLU A  19
 None
 1.00A 3nvkI-2ayaA:
undetectable		 3nvkI-2ayaA:
17.65
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.
2cwf DELTA1-PIPERIDEINE-2
-CARBOXYLATE
REDUCTASE

(Pseudomonas
syringae group
genomosp. 3) 		PF02615
(Ldh_2) 		5 GLY A 275
ALA A 250
ILE A 121
ASP A  90
ALA A  91
 None
 0.75A 3nvkI-2cwfA:
undetectable		 3nvkI-2cwfA:
21.61
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.
2d16 HYPOTHETICAL PROTEIN
PH1918

(Pyrococcus
horikoshii) 		PF04008
(Adenosine_kin) 		5 GLY A  46
ILE A  47
ASP A  30
ALA A  33
ASP A  63
 None
 1.14A 3nvkI-2d16A:
undetectable		 3nvkI-2d16A:
24.78
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.
2f91 HEPATOPANCREAS
TRYPSIN

(Astacus
leptodactylus) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
PHE A  33
ALA A  55
ASP A 194
 None
 0.94A 3nvkI-2f91A:
undetectable		 3nvkI-2f91A:
21.56
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.
2fsv NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		5 GLY C 129
THR C 134
ILE C 163
ASP C 190
ALA C 191
 NAP  C 700 (-3.8A)
None
None
NAP  C 700 (-3.7A)
NAP  C 700 (-3.4A)
 1.10A 3nvkI-2fsvC:
3.7		 3nvkI-2fsvC:
22.75
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLY A  62
ALA A  64
ILE A  84
ASP A 113
ASP A 133
 None
None
None
ZN  A 306 ( 4.7A)
None
 0.93A 3nvkI-2gpyA:
13.8		 3nvkI-2gpyA:
24.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		7 GLY A 168
ALA A 170
ALA A 218
ASP A 237
VAL A 238
GLN A 240
GLU A 304
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
None
 0.68A 3nvkI-2ipxA:
30.9		 3nvkI-2ipxA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		7 GLY A 168
ALA A 170
ASP A 217
ALA A 218
ASP A 237
VAL A 238
GLU A 304
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
None
 0.59A 3nvkI-2ipxA:
30.9		 3nvkI-2ipxA:
49.17
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.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		5 ALA A 208
THR A 204
ILE A 220
ALA A  71
GLU A  25
 None
 1.06A 3nvkI-2j6lA:
3.8		 3nvkI-2j6lA:
19.52
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.
2oor NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		5 GLY C 129
THR C 134
ILE C 163
ASP C 190
ALA C 191
 TXP  C 400 (-3.9A)
None
None
TXP  C 400 (-3.7A)
TXP  C 400 (-3.5A)
 1.10A 3nvkI-2oorC:
3.7		 3nvkI-2oorC:
23.69
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.
2pby GLUTAMINASE

(Geobacillus
kaustophilus) 		PF04960
(Glutaminase) 		5 GLY A  55
ILE A  42
PHE A 279
ALA A  43
VAL A  57
 None
 1.15A 3nvkI-2pbyA:
undetectable		 3nvkI-2pbyA:
20.50
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 265
ILE A 221
ASP A 196
ALA A 197
GLN A 248
 None
 1.07A 3nvkI-2pgwA:
2.9		 3nvkI-2pgwA:
20.93
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.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 1.04A 3nvkI-2r0lA:
undetectable		 3nvkI-2r0lA:
22.38
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY 1  14
ALA 1  99
ILE 1  13
PHE 1  96
VAL 1  23
 None
 1.01A 3nvkI-2r6r1:
3.2		 3nvkI-2r6r1:
25.66
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.
2rdl CHYMASE 2

(Mesocricetus
auratus) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 0.95A 3nvkI-2rdlA:
undetectable		 3nvkI-2rdlA:
22.71
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 ALA A 352
ILE A 295
ASP A 256
ALA A 259
ASP A 302
 None
 1.06A 3nvkI-2vunA:
undetectable		 3nvkI-2vunA:
20.10
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  18
ALA A 103
ILE A  17
PHE A 100
VAL A  27
 None
 1.01A 3nvkI-2vxyA:
4.0		 3nvkI-2vxyA:
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.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 GLY A  46
ALA A 136
ILE A 149
ALA A 257
VAL A  47
 None
 1.02A 3nvkI-2xrmA:
undetectable		 3nvkI-2xrmA:
22.96
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.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A 219
ALA A 222
ASP A 215
ALA A 212
ASP A 100
 None
 0.94A 3nvkI-3afeA:
undetectable		 3nvkI-3afeA:
20.10
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLY A  78
ILE A 101
ASP A 130
ALA A 131
ASP A 154
 SAH  A 464 (-3.7A)
None
SAH  A 464 (-4.1A)
SAH  A 464 (-3.5A)
CA  A 238 ( 2.2A)
 0.82A 3nvkI-3c3yA:
14.2		 3nvkI-3c3yA:
24.91
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 GLY A 350
ILE A 333
ALA A 334
VAL A 344
GLU A 384
 None
 1.15A 3nvkI-3c4qA:
4.2		 3nvkI-3c4qA:
21.27
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 THR A 124
ILE A  88
PHE A 141
ALA A  75
VAL A  69
 None
 1.13A 3nvkI-3cbgA:
14.1		 3nvkI-3cbgA:
24.62
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.
3cer POSSIBLE
EXOPOLYPHOSPHATASE-L
IKE PROTEIN

(Bifidobacterium
longum) 		PF02541
(Ppx-GppA) 		5 GLY A  20
ILE A  32
ALA A  33
VAL A 333
GLU A 126
 None
 1.14A 3nvkI-3cerA:
undetectable		 3nvkI-3cerA:
24.29
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.
3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00342
(PGI) 		6 GLY A 210
ALA A 208
THR A 173
ILE A 214
ALA A  91
VAL A 205
 None
 1.35A 3nvkI-3ff1A:
undetectable		 3nvkI-3ff1A:
20.36
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
ASP A 144
ALA A 145
ASP A 163
VAL A 164
 None
 0.92A 3nvkI-3gjyA:
12.0		 3nvkI-3gjyA:
19.35
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 GLY A 617
ILE A 633
ASP A 647
ASP A 618
GLU A 278
 None
 1.06A 3nvkI-3j09A:
undetectable		 3nvkI-3j09A:
16.13
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLY E 159
ALA E 157
THR E 109
ILE E 200
VAL E 166
 None
 1.12A 3nvkI-3kfuE:
undetectable		 3nvkI-3kfuE:
20.43
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.
3l3s ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Ruegeria
pomeroyi) 		PF00378
(ECH_1) 		5 GLY A 114
ALA A 135
ILE A 115
ALA A 116
VAL A 112
 None
 1.10A 3nvkI-3l3sA:
undetectable		 3nvkI-3l3sA:
19.05
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.
3lmc PEPTIDASE,
ZINC-DEPENDENT

(Methanocorpusculum
labreanum) 		PF07998
(Peptidase_M54) 		5 GLY A 109
ILE A 119
ALA A  53
VAL A 107
GLU A 175
 None
 1.09A 3nvkI-3lmcA:
undetectable		 3nvkI-3lmcA:
22.62
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.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		5 GLY A 178
ALA A 181
ILE A 151
ASP A  93
GLN A 158
 None
 1.01A 3nvkI-3mzvA:
undetectable		 3nvkI-3mzvA:
18.99
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 6 GLY A 289
ALA A 369
THR A 353
ILE A 453
ALA A 449
VAL A 288
 None
 1.30A 3nvkI-3nlcA:
undetectable		 3nvkI-3nlcA:
20.22
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.
3sb4 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13306
(LRR_5) 		5 GLY A 333
ILE A 308
ALA A 312
ASP A 334
GLN A 286
 None
 1.07A 3nvkI-3sb4A:
undetectable		 3nvkI-3sb4A:
24.05
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.
3tju GRANZYME H

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 199
ILE A 210
ALA A  57
ASP A 196
 None
 1.00A 3nvkI-3tjuA:
undetectable		 3nvkI-3tjuA:
20.53
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		5 GLY A 137
ALA A 262
ILE A 269
VAL A 138
GLU A 167
 None
 1.09A 3nvkI-3vtaA:
undetectable		 3nvkI-3vtaA:
17.92
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		5 ALA A  65
ILE A  26
ASP A  18
GLN A  73
GLU A 278
 None
 0.99A 3nvkI-3wibA:
2.8		 3nvkI-3wibA:
23.10
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.
4as5 INOSITOL
MONOPHOSPHATASE 1

(Mus musculus) 		PF00459
(Inositol_P) 		5 ALA A 224
ILE A 109
ALA A  16
ASP A  93
GLU A 162
 None
None
None
MG  A 502 ( 3.0A)
None
 1.14A 3nvkI-4as5A:
undetectable		 3nvkI-4as5A:
22.90
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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 GLY A  48
PHE A  74
ASP A 111
ALA A 112
VAL A 139
 None
GOL  A1400 (-4.5A)
GOL  A1400 (-3.6A)
GOL  A1400 (-3.4A)
GOL  A1400 ( 4.7A)
 0.85A 3nvkI-4bkoA:
6.5		 3nvkI-4bkoA:
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.
4bxw FACTOR XA

(Pseudonaja
textilis) 		PF00089
(Trypsin)
PF14670
(FXa_inhibition) 		5 LYS A 170
GLY A 364
ILE A 379
ALA A 209
ASP A 361
 None
 1.07A 3nvkI-4bxwA:
undetectable		 3nvkI-4bxwA:
18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		7 GLY E  81
ALA E  83
ILE E 104
ASP E 130
ALA E 131
VAL E 151
GLN E 153
 None
C  X   5 ( 2.4A)
None
None
None
None
G  A  24 ( 3.0A)
 0.96A 3nvkI-4by9E:
34.5		 3nvkI-4by9E:
97.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ALA E  83
ILE E 104
PHE E 106
ASP E 130
ALA E 131
 None
C  X   5 ( 2.4A)
None
None
None
None
 0.86A 3nvkI-4by9E:
34.5		 3nvkI-4by9E:
97.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		8 GLY E  81
THR E  87
ILE E 104
ASP E 130
ALA E 131
ASP E 150
VAL E 151
GLN E 153
 None
C  X   6 ( 2.6A)
None
None
None
C  X   5 ( 3.2A)
None
G  A  24 ( 3.0A)
 1.11A 3nvkI-4by9E:
34.5		 3nvkI-4by9E:
97.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		7 GLY E  81
THR E  87
ILE E 104
PHE E 106
ASP E 130
ALA E 131
ASP E 150
 None
C  X   6 ( 2.6A)
None
None
None
None
C  X   5 ( 3.2A)
 0.99A 3nvkI-4by9E:
34.5		 3nvkI-4by9E:
97.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		8 LYS E  57
GLY E  81
ILE E 104
ASP E 130
ALA E 131
ASP E 150
VAL E 151
GLN E 153
 C  X   5 ( 2.7A)
None
None
None
None
C  X   5 ( 3.2A)
None
G  A  24 ( 3.0A)
 1.19A 3nvkI-4by9E:
34.5		 3nvkI-4by9E:
97.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		7 LYS E  57
GLY E  81
ILE E 104
PHE E 106
ASP E 130
ALA E 131
ASP E 150
 C  X   5 ( 2.7A)
None
None
None
None
None
C  X   5 ( 3.2A)
 0.97A 3nvkI-4by9E:
34.5		 3nvkI-4by9E:
97.01
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.
4d65 PORIN 2

(Providencia
stuartii) 		PF00267
(Porin_1) 		5 GLY A 219
ALA A 231
THR A 105
ILE A 188
VAL A 218
 LDA  A1372 (-3.5A)
LDA  A1373 ( 3.9A)
None
LDA  A1346 ( 4.1A)
LDA  A1372 (-4.1A)
 1.14A 3nvkI-4d65A:
undetectable		 3nvkI-4d65A:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		8 LYS A  61
GLY A  85
ALA A  87
ASP A 134
ALA A 135
ASP A 154
VAL A 155
GLN A 157
 SAM  A 301 ( 3.9A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.8A)
 0.71A 3nvkI-4df3A:
32.5		 3nvkI-4df3A:
53.59
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.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS H 445
GLY H 635
ILE H 652
ALA H 481
ASP H 632
 None
 1.05A 3nvkI-4fxgH:
undetectable		 3nvkI-4fxgH:
22.06
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.
4h3v OXIDOREDUCTASE
DOMAIN PROTEIN

(Kribbella
flavida) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 213
ASP A 245
ALA A 248
VAL A 373
GLU A 384
 None
 0.93A 3nvkI-4h3vA:
3.5		 3nvkI-4h3vA:
20.26
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.
4hh2 TRANSCRIPTIONAL
REGULATOR, PPSR

(Rhodobacter
sphaeroides) 		PF13188
(PAS_8)
PF13426
(PAS_9) 		5 GLY A 288
ILE A 314
ASP A 316
ALA A 315
ASP A 287
 None
 0.96A 3nvkI-4hh2A:
undetectable		 3nvkI-4hh2A:
23.43
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.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 ALA A 148
ILE A 209
ASP A 323
ALA A 320
ASP A 206
 None
 1.03A 3nvkI-4hwiA:
undetectable		 3nvkI-4hwiA:
23.03
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.
4kpt GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN

(Lactococcus
lactis) 		PF00497
(SBP_bac_3) 		5 GLY A  90
ILE A  91
ALA A  79
ASP A  89
VAL A  88
 None
None
None
PEG  A 310 (-3.2A)
None
 1.09A 3nvkI-4kptA:
undetectable		 3nvkI-4kptA:
22.79
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 GLY A 288
ALA A 163
PHE A 279
ALA A 276
ASP A 289
 None
 1.08A 3nvkI-4n9xA:
4.1		 3nvkI-4n9xA:
19.12
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  64
ILE A  87
ALA A 117
ASP A 136
GLU A 209
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.3A)
MN  A 303 ( 2.7A)
None
 1.15A 3nvkI-4pclA:
14.4		 3nvkI-4pclA:
26.85
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.
4pe6 PUTATIVE ABC
TRANSPORTER

(Thermobispora
bispora) 		PF13407
(Peripla_BP_4) 		5 GLY A 241
ALA A 164
THR A 197
PHE A 264
VAL A 239
 None
 1.06A 3nvkI-4pe6A:
3.9		 3nvkI-4pe6A:
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		5 GLY A 937
ALA A 880
ALA A 625
VAL A 940
GLN A 943
 None
 0.89A 3nvkI-4ra7A:
undetectable		 3nvkI-4ra7A:
20.04
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 GLY A2485
ALA A2449
THR A2428
ASP A2483
GLN A2520
 None
 0.96A 3nvkI-4tvcA:
undetectable		 3nvkI-4tvcA:
11.01
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 GLY A  59
ILE A  55
ASP A 263
ALA A 260
VAL A  63
 None
None
NA  A 702 (-2.8A)
None
None
 1.12A 3nvkI-4us4A:
undetectable		 3nvkI-4us4A:
19.41
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		5 ALA A   8
THR A 284
ILE A 208
ASP A 101
ALA A 104
 None
 1.12A 3nvkI-4uw2A:
undetectable		 3nvkI-4uw2A:
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 GLY A 316
ALA A 318
ILE A 314
ALA A 305
VAL A 149
 None
 1.09A 3nvkI-4wzzA:
3.9		 3nvkI-4wzzA:
20.95
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS H  16
GLY H 197
ILE H 212
ALA H  55
ASP H 194
 None
 1.10A 3nvkI-4ylqH:
undetectable		 3nvkI-4ylqH:
21.13
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 845
THR A 786
ILE A 844
ALA A 474
GLN A 470
 None
 0.94A 3nvkI-5a0zA:
undetectable		 3nvkI-5a0zA:
14.82
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.
5b7z UNCHARACTERIZED
PROTEIN TM_0416

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		5 GLY A 112
THR A 156
ILE A 110
VAL A 114
GLU A 119
 None
None
None
None
MPD  A 301 ( 4.3A)
 1.15A 3nvkI-5b7zA:
undetectable		 3nvkI-5b7zA:
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.
5dbt DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Streptococcus
suis) 		PF01791
(DeoC) 		5 GLY A  84
ILE A  81
ASP A  79
ALA A  80
VAL A  43
 None
 1.15A 3nvkI-5dbtA:
undetectable		 3nvkI-5dbtA:
20.75
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.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS A  16
GLY A 197
ILE A 212
ALA A  55
ASP A 194
 None
 1.03A 3nvkI-5f8zA:
undetectable		 3nvkI-5f8zA:
18.48
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		5 GLY A 193
ALA A 156
ILE A 214
ALA A 268
VAL A 153
 None
 1.07A 3nvkI-5fifA:
undetectable		 3nvkI-5fifA:
17.46
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.
5gad SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Escherichia
coli) 		PF00238
(Ribosomal_L14) 		5 GLY l 329
THR l 307
ILE l 364
ALA l 361
ASP l 330
 None
MG  l1401 ( 3.1A)
None
G  1  54 ( 3.3A)
GNP  l1400 ( 4.7A)
 1.14A 3nvkI-5gadl:
undetectable		 3nvkI-5gadl:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		7 LYS E  60
GLY E  84
ALA E  86
ASP E 133
ALA E 134
ASP E 153
GLN E 156
 U  I   4 ( 3.9A)
SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 (-3.8A)
 0.80A 3nvkI-5ginE:
36.0		 3nvkI-5ginE:
50.00
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.
5jcn OS09G0567300 PROTEIN

(Oryza sativa) 		PF07992
(Pyr_redox_2) 		5 ALA A 242
ILE A 143
ASP A 139
ALA A 138
GLN A 136
 None
 1.14A 3nvkI-5jcnA:
3.0		 3nvkI-5jcnA:
20.13
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 GLY A  52
ALA A  54
ILE A  49
ASP A  45
VAL A 105
 None
None
None
MN  A1002 (-2.2A)
None
 1.15A 3nvkI-5jjuA:
3.0		 3nvkI-5jjuA:
22.02
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ALA A 276
ASP A 877
ASP A 882
VAL A 881
GLU A 870
 None
 1.04A 3nvkI-5kf7A:
2.4		 3nvkI-5kf7A:
12.47
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ALA A 344
THR A 340
ILE A 281
ALA A 366
VAL A 276
 None
 1.11A 3nvkI-5mdnA:
undetectable		 3nvkI-5mdnA:
14.71
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.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		5 LYS B  16
GLY B 222
ILE B 239
ALA B  56
ASP B 219
 None
 1.11A 3nvkI-5to3B:
undetectable		 3nvkI-5to3B:
20.19
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.
5uhd RNA POLYMERASE SIGMA
FACTOR SIGA

(Mycobacterium
tuberculosis) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 GLY F 288
ALA F 291
ILE F 284
ALA F 259
ASP F 289
 None
 1.14A 3nvkI-5uhdF:
undetectable		 3nvkI-5uhdF:
17.56
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.
5vn3 ENVELOPE
GLYCOPROTEIN GP160
ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1;
Human
immunodeficiency
virus 1) 		PF00517
(GP41)
PF00516
(GP120) 		5 ALA A 517
THR G 244
ILE A 519
PHE A 522
GLU G  91
 None
 1.12A 3nvkI-5vn3A:
undetectable		 3nvkI-5vn3A:
18.42
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 6 GLY A  81
ALA A 105
ASP A 109
ALA A 110
ASP A  52
GLU A  62
 None
None
SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
None
None
 1.37A 3nvkI-5w7kA:
13.6		 3nvkI-5w7kA:
undetectable
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.
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis) 		no annotation 5 ALA A 235
ILE A 245
ASP A 247
ALA A 246
ASP A 238
 ALA  A 235 ( 0.0A)
ILE  A 245 ( 0.6A)
ASP  A 247 ( 0.6A)
ALA  A 246 ( 0.0A)
ASP  A 238 ( 0.5A)
 1.10A 3nvkI-5xluA:
undetectable		 3nvkI-5xluA:
undetectable
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 GLY A  62
ALA A  64
ILE A  84
ASP A 113
ALA A 114
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 ( 4.7A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
 0.73A 3nvkI-5zw4A:
15.3		 3nvkI-5zw4A:
23.62
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.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 GLY A 172
ALA A 174
THR A 176
ALA A 170
VAL A 162
 None
 1.10A 3nvkI-6d0pA:
undetectable		 3nvkI-6d0pA:
undetectable
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 GLY B 540
ALA B 100
ASP B 471
ASP B 539
VAL B 536
 None
 1.00A 3nvkI-6f0kB:
undetectable		 3nvkI-6f0kB:
undetectable