SIMILAR PATTERNS OF AMINO ACIDS FOR 2NYU_A_SAMA201_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		9 GLY A  59
ALA A  61
GLY A  63
TRP A  65
LEU A  84
LEU A  85
MET A 125
LEU A 143
LYS A 164
 SAM  A 301 (-3.6A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.2A)
SAM  A 301 ( 4.2A)
SAM  A 301 (-4.3A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 3.9A)
 0.49A 2nyuA-1eizA:
26.6		 2nyuA-1eizA:
36.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A  59
GLY A  64
MET A 125
LEU A 143
LYS A 164
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.3A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 3.9A)
 0.96A 2nyuA-1eizA:
26.6		 2nyuA-1eizA:
36.46
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.
1eq2 ADP-L-GLYCERO-D-MANN
OHEPTOSE 6-EPIMERASE

(Escherichia
coli) 		PF01370
(Epimerase) 		5 SER A  79
GLY A   9
GLY A  76
ALA A  77
LYS A 178
 NAP  A2400 (-3.3A)
NAP  A2400 (-3.4A)
NAP  A2400 (-3.3A)
CSO  A  78 (-3.0A)
NAP  A2400 (-2.7A)
 1.01A 2nyuA-1eq2A:
6.2		 2nyuA-1eq2A:
18.55
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 5 SER Y 221
GLY Y 442
ALA Y 444
GLY Y  78
LEU Y 254
 None
 0.90A 2nyuA-1gllY:
undetectable		 2nyuA-1gllY:
17.81
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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		5 ALA A 582
ALA A 317
LEU A 578
LEU A 581
LEU A 360
 None
None
None
ATP  A 591 (-4.7A)
None
 1.01A 2nyuA-1ii0A:
undetectable		 2nyuA-1ii0A:
16.78
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		6 GLY A 427
ALA A 347
LEU A 483
LEU A 482
VAL A 471
LEU A 456
 None
 1.47A 2nyuA-1j3bA:
undetectable		 2nyuA-1j3bA:
16.67
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.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 469
ALA A 278
GLY A 276
ALA A 357
LEU A 170
 None
 1.03A 2nyuA-1lamA:
undetectable		 2nyuA-1lamA:
18.18
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
ALA A 141
GLY A 143
LEU A 139
LEU A 106
 FAD  A 459 ( 4.9A)
FAD  A 459 (-4.5A)
FAD  A 459 (-3.3A)
None
None
 1.04A 2nyuA-1lvlA:
2.5		 2nyuA-1lvlA:
18.85
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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 GLY A 184
ALA A 240
ALA A 325
LEU A 246
LEU A 241
LEU A 330
 None
 1.31A 2nyuA-1mzjA:
undetectable		 2nyuA-1mzjA:
25.24
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.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 ALA A 273
GLY A 271
ALA A 251
LEU A 165
LEU A 285
 None
 1.03A 2nyuA-1pweA:
2.1		 2nyuA-1pweA:
21.07
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.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 ALA A 273
GLY A 271
ALA A 251
LEU A 165
VAL A  27
 None
 0.97A 2nyuA-1pweA:
2.1		 2nyuA-1pweA:
21.07
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.
1qua ACUTOLYSIN-C

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		5 SER A  71
GLY A 124
ALA A 111
LEU A 144
LEU A  12
 None
 0.99A 2nyuA-1quaA:
undetectable		 2nyuA-1quaA:
17.67
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.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 181
 SAH  A 887 (-3.6A)
SAH  A 887 ( 4.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.5A)
None
 0.72A 2nyuA-1r6aA:
14.1		 2nyuA-1r6aA:
20.39
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  17
ALA A  19
ALA A  25
LEU A  42
VAL A  65
 NA  A 302 (-3.6A)
None
None
None
None
 0.89A 2nyuA-1so8A:
10.0		 2nyuA-1so8A:
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 GLY A  50
ALA A  12
GLY A  11
ALA A 159
LEU A  48
VAL A  55
 FAD  A 493 (-3.0A)
None
FAD  A 493 (-3.3A)
FAD  A 493 (-4.7A)
None
None
 1.45A 2nyuA-1typA:
3.5		 2nyuA-1typA:
16.63
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A   9
ALA A  11
ALA A  17
LEU A  34
VAL A  48
 ADN  A1001 (-3.5A)
ADN  A1001 ( 3.7A)
None
ADN  A1001 (-4.3A)
ADN  A1001 (-3.6A)
 0.97A 2nyuA-1uayA:
9.1		 2nyuA-1uayA:
24.81
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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  31
ALA A 259
LEU A  72
LEU A  73
VAL A  80
 None
 1.02A 2nyuA-1ulqA:
undetectable		 2nyuA-1ulqA:
22.05
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 GLY A 265
ALA A 435
LEU A 268
VAL A 287
LEU A 259
 None
 1.00A 2nyuA-1z8lA:
undetectable		 2nyuA-1z8lA:
15.34
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Pyrococcus
abyssi) 		PF00710
(Asparaginase) 		5 SER A 208
GLY A 100
ALA A 175
GLY A 203
ALA A 204
 None
 0.77A 2nyuA-1zq1A:
undetectable		 2nyuA-1zq1A:
20.32
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		5 SER A 206
GLY A  99
ALA A 174
GLY A 201
ALA A 202
 None
 0.85A 2nyuA-2d6fA:
undetectable		 2nyuA-2d6fA:
19.82
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.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 GLY A  14
ALA A  16
ALA A  22
LEU A  39
VAL A  63
 NAD  A 257 (-3.3A)
NAD  A 257 ( 3.7A)
None
NAD  A 257 (-4.1A)
NAD  A 257 (-3.4A)
 0.91A 2nyuA-2ewmA:
9.1		 2nyuA-2ewmA:
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.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 ALA A  93
GLY A  60
ALA A  33
VAL A  85
LEU A 110
 None
 1.00A 2nyuA-2j4gA:
undetectable		 2nyuA-2j4gA:
17.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		8 SER A   4
GLY A  30
ALA A  32
GLY A  34
ALA A  35
LEU A  63
LEU A  64
VAL A  80
 SAM  A 201 ( 4.8A)
SAM  A 201 (-3.5A)
SAM  A 201 (-3.8A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.2A)
SAM  A 201 (-4.2A)
SAM  A 201 (-4.1A)
SAM  A 201 (-3.9A)
 1.22A 2nyuA-2nyuA:
38.7		 2nyuA-2nyuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		12 SER A   6
GLY A  30
ALA A  32
GLY A  34
ALA A  35
TRP A  36
LEU A  63
LEU A  64
VAL A  80
MET A 105
LEU A 123
LYS A 144
 SAM  A 201 (-2.5A)
SAM  A 201 (-3.5A)
SAM  A 201 (-3.8A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.2A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-4.1A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.9A)
None
SAM  A 201 (-3.5A)
 0.45A 2nyuA-2nyuA:
38.7		 2nyuA-2nyuA:
100.00
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  86
TRP A  88
LEU A 106
LYS A 184
 SAM  A 300 (-3.3A)
SAM  A 300 ( 4.6A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.2A)
SAM  A 300 ( 4.3A)
 0.66A 2nyuA-2oxtA:
14.7		 2nyuA-2oxtA:
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.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 182
 SAH  A 301 (-3.0A)
SAH  A 301 (-4.3A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 4.9A)
 0.33A 2nyuA-2oy0A:
14.3		 2nyuA-2oy0A:
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.
2ozv HYPOTHETICAL PROTEIN
ATU0636

(Agrobacterium
fabrum) 		PF05175
(MTS) 		5 GLY A  52
GLY A  56
ALA A  57
VAL A 107
LEU A 156
 None
 0.97A 2nyuA-2ozvA:
11.7		 2nyuA-2ozvA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		5 GLY A  30
GLY A  34
TRP A  36
LEU A 132
LYS A 153
 SAM  A 203 (-3.4A)
SAM  A 203 (-3.6A)
SAM  A 203 (-3.8A)
SAM  A 203 (-4.9A)
SAM  A 203 ( 4.1A)
 0.66A 2nyuA-2plwA:
25.7		 2nyuA-2plwA:
33.49
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.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 182
 SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.4A)
SAH  A 500 (-3.6A)
None
 0.66A 2nyuA-2px5A:
14.4		 2nyuA-2px5A:
22.39
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 115
GLY A  73
ALA A  76
LEU A 110
LEU A 111
 None
 0.97A 2nyuA-2q5oA:
3.8		 2nyuA-2q5oA:
16.49
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.
2r7h PUTATIVE D-ALANINE
N-ACETYLTRANSFERASE
OF GNAT FAMILY

(Desulfovibrio
alaskensis) 		PF00583
(Acetyltransf_1) 		5 GLY A  80
GLY A 111
ALA A 113
VAL A  33
MET A  78
 None
 1.01A 2nyuA-2r7hA:
undetectable		 2nyuA-2r7hA:
23.98
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY G 184
ALA G 155
GLY G 154
ALA G 239
LEU G 195
 FAD  G 484 (-3.4A)
FAD  G 484 ( 4.4A)
FAD  G 484 (-3.0A)
FAD  G 484 (-4.8A)
None
 0.94A 2nyuA-2vdcG:
4.1		 2nyuA-2vdcG:
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.
2vp3 VP39

(Vaccinia virus) 		PF01358
(PARP_regulatory) 		5 GLY A  68
ALA A  70
GLY A  72
VAL A 116
LYS A 175
 SAH  A 400 (-3.4A)
SAH  A 400 (-4.2A)
SAH  A 400 (-3.5A)
SAH  A 400 (-3.5A)
None
 0.78A 2nyuA-2vp3A:
9.7		 2nyuA-2vp3A:
20.38
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.
2w0s THYMIDYLATE KINASE

(Vaccinia virus) 		PF02223
(Thymidylate_kin) 		5 SER A 112
ALA A 104
GLY A 106
ALA A 107
LEU A 154
 None
 0.90A 2nyuA-2w0sA:
undetectable		 2nyuA-2w0sA:
22.81
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.
2w5j ATP SYNTHASE C
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		PF00137
(ATP-synt_C) 		5 GLY A  33
ALA A  35
GLY A  38
ALA A  40
LEU A  53
 None
 0.93A 2nyuA-2w5jA:
undetectable		 2nyuA-2w5jA:
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  86
TRP A  88
LEU A 106
VAL A 133
 SAM  A1248 (-3.3A)
SAM  A1248 (-4.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.4A)
 0.53A 2nyuA-2wa2A:
14.9		 2nyuA-2wa2A:
23.05
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  86
TRP A  88
LEU A 106
VAL A 133
LYS A 184
 SAM  A1248 (-4.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.4A)
None
 0.77A 2nyuA-2wa2A:
14.9		 2nyuA-2wa2A:
23.05
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.
2yxz THIAMIN-MONOPHOSPHAT
E KINASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		6 GLY A 162
ALA A 248
ALA A 240
LEU A 253
LEU A 249
LEU A 156
 None
 1.44A 2nyuA-2yxzA:
undetectable		 2nyuA-2yxzA:
22.51
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 GLY A 529
ALA A 531
GLY A 552
LEU A 512
LEU A 500
 CA  A 625 (-4.4A)
None
CA  A 627 ( 4.4A)
None
None
 1.03A 2nyuA-2z8zA:
undetectable		 2nyuA-2z8zA:
15.72
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.
2z95 GDP-D-MANNOSE
DEHYDRATASE

(Aquifex
aeolicus) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  16
GLY A  32
ALA A  33
LEU A  22
LEU A  23
 None
 0.94A 2nyuA-2z95A:
7.6		 2nyuA-2z95A:
20.00
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 SER B 314
GLY B 285
ALA B 288
GLY B 292
VAL B 408
 None
 0.98A 2nyuA-3amjB:
undetectable		 2nyuA-3amjB:
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 174
ALA A 173
LEU A 206
VAL A  52
LEU A 219
 None
 1.03A 2nyuA-3b4wA:
2.7		 2nyuA-3b4wA:
18.33
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  50
TRP A  52
LEU A  68
LYS A 151
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-4.0A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.5A)
 0.26A 2nyuA-3douA:
24.8		 2nyuA-3douA:
26.87
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.
3dr2 EXPORTED
GLUCONOLACTONASE

(Xanthomonas
campestris) 		PF08450
(SGL) 		6 SER A 255
GLY A  49
GLY A 295
ALA A 279
LEU A  64
LEU A 136
 None
 1.08A 2nyuA-3dr2A:
undetectable		 2nyuA-3dr2A:
21.48
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.
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLY A 694
ALA A 693
LEU A 773
LEU A 776
LEU A 914
 None
 0.88A 2nyuA-3eh1A:
undetectable		 2nyuA-3eh1A:
12.98
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  81
GLY A  85
TRP A  87
LEU A 105
VAL A 132
LYS A 182
 SAM  A4633 (-3.2A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.1A)
SAM  A4633 (-3.4A)
None
 0.70A 2nyuA-3eluA:
14.4		 2nyuA-3eluA:
25.37
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.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
LEU A 105
LYS A 182
 SAH  A 901 (-3.4A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.0A)
None
 0.71A 2nyuA-3evcA:
14.4		 2nyuA-3evcA:
20.64
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 109
GLY A 310
LEU A 114
LEU A 115
LEU A  96
 None
 1.04A 2nyuA-3fj4A:
undetectable		 2nyuA-3fj4A:
19.90
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.
3fvq FE(3+) IONS IMPORT
ATP-BINDING PROTEIN
FBPC

(Neisseria
gonorrhoeae) 		PF00005
(ABC_tran) 		5 GLY A 274
ALA A 248
GLY A 271
ALA A 270
LEU A 233
 None
 1.03A 2nyuA-3fvqA:
undetectable		 2nyuA-3fvqA:
19.39
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 GLY A  18
ALA A  20
LEU A  43
VAL A  69
LEU A 117
 None
 0.87A 2nyuA-3gafA:
9.2		 2nyuA-3gafA:
20.85
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 GLY A  18
ALA A  26
LEU A  43
VAL A  69
LEU A 117
 None
 1.01A 2nyuA-3gafA:
9.2		 2nyuA-3gafA:
20.85
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
LEU A 105
VAL A 132
 SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.0A)
SAM  A4633 (-3.6A)
 0.46A 2nyuA-3gczA:
14.8		 2nyuA-3gczA:
22.92
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 GLY A  85
TRP A  87
LEU A 105
VAL A 132
LYS A 183
 SAM  A4633 ( 4.3A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.0A)
SAM  A4633 (-3.6A)
SAM  A4633 ( 4.8A)
 0.76A 2nyuA-3gczA:
14.8		 2nyuA-3gczA:
22.92
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		6 SER A 201
ALA A 359
GLY A 204
ALA A 203
VAL A 403
LEU A 398
 None
None
FAD  A 902 (-3.4A)
FAD  A 902 (-3.8A)
None
None
 1.26A 2nyuA-3gsiA:
3.8		 2nyuA-3gsiA:
13.38
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 GLY A 289
GLY A 286
ALA A 248
VAL A 264
LEU A 242
 None
 1.02A 2nyuA-3h4hA:
undetectable		 2nyuA-3h4hA:
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  14
GLY A 142
ALA A 311
VAL A  99
MET A  18
 FAD  A 490 (-3.2A)
FAD  A 490 (-3.3A)
None
None
None
 0.87A 2nyuA-3ic9A:
undetectable		 2nyuA-3ic9A:
15.76
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.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A 179
ALA A 178
LEU A 211
VAL A  51
LEU A 225
 None
 0.96A 2nyuA-3iwjA:
2.7		 2nyuA-3iwjA:
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.
3kvd LIPOPROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 SER D 139
GLY D 131
GLY D  80
ALA D  79
LEU D  89
 None
 0.97A 2nyuA-3kvdD:
undetectable		 2nyuA-3kvdD:
22.09
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.
3las PUTATIVE CARBONIC
ANHYDRASE

(Streptococcus
mutans) 		PF00484
(Pro_CA) 		5 GLY A 152
ALA A 153
LEU A 137
LEU A 138
LEU A 122
 None
 0.84A 2nyuA-3lasA:
4.1		 2nyuA-3lasA:
24.26
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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 182
 SFG  A 301 (-3.5A)
SFG  A 301 ( 4.4A)
SFG  A 301 (-3.7A)
SFG  A 301 (-4.1A)
SFG  A 301 ( 4.1A)
 0.32A 2nyuA-3lkzA:
14.5		 2nyuA-3lkzA:
19.94
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 SER A 224
ALA A 205
GLY A 202
LEU A 144
LEU A 172
 None
 1.03A 2nyuA-3n6zA:
undetectable		 2nyuA-3n6zA:
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.
3owa ACYL-COA
DEHYDROGENASE

(Bacillus
anthracis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A  78
GLY A  72
ALA A  71
LEU A 136
LEU A 139
 None
 0.91A 2nyuA-3owaA:
undetectable		 2nyuA-3owaA:
15.25
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.
3p41 GERANYLTRANSTRANSFER
ASE

(Pseudomonas
protegens) 		PF00348
(polyprenyl_synt) 		6 ALA A 147
GLY A 152
ALA A 151
LEU A 144
VAL A 189
LEU A 204
 None
 1.40A 2nyuA-3p41A:
undetectable		 2nyuA-3p41A:
21.02
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.
3ppi 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE-2

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  15
ALA A  17
ALA A  23
VAL A  63
LEU A 117
 GOL  A 302 ( 3.3A)
None
None
GOL  A 302 (-3.6A)
None
 1.01A 2nyuA-3ppiA:
9.1		 2nyuA-3ppiA:
21.72
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.
3ppi 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE-2

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  15
ALA A  17
LEU A  40
VAL A  63
LEU A 117
 GOL  A 302 ( 3.3A)
None
GOL  A 302 ( 4.4A)
GOL  A 302 (-3.6A)
None
 0.87A 2nyuA-3ppiA:
9.1		 2nyuA-3ppiA:
21.72
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.
3rij SC_2CX5

(Thermus
thermophilus) 		PF04073
(tRNA_edit) 		5 GLY A 130
GLY A 101
ALA A 100
VAL A  24
LEU A  14
 None
 0.94A 2nyuA-3rijA:
undetectable		 2nyuA-3rijA:
23.76
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.
3s83 GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		5 ALA A 441
GLY A 411
ALA A 412
LEU A 433
LEU A 436
 None
 0.96A 2nyuA-3s83A:
undetectable		 2nyuA-3s83A:
20.97
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.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		5 GLY A 152
ALA A 148
GLY A  52
LEU A 172
LEU A 159
 None
 1.03A 2nyuA-3vvlA:
2.5		 2nyuA-3vvlA:
19.29
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.
4a5w COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2) 		5 GLY A 633
ALA A 649
GLY A 637
ALA A 636
LEU A 651
 None
 1.00A 2nyuA-4a5wA:
undetectable		 2nyuA-4a5wA:
9.08
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.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 SER A 188
GLY A 219
GLY A 223
TRP A 225
MET A 278
 None
EDO  A1373 (-3.8A)
None
None
None
 0.98A 2nyuA-4aukA:
15.2		 2nyuA-4aukA:
20.05
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.
4b7x PROBABLE
OXIDOREDUCTASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 GLY A 161
ALA A 135
GLY A 132
ALA A 127
LEU A 139
 None
 0.96A 2nyuA-4b7xA:
8.6		 2nyuA-4b7xA:
24.21
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		6 SER A  46
GLY A  14
ALA A 228
GLY A 230
LEU A 226
LEU A 189
 FAD  A 551 (-2.5A)
FAD  A 551 (-3.3A)
FAD  A 551 ( 4.8A)
FAD  A 551 (-3.6A)
None
None
 1.25A 2nyuA-4c3yA:
undetectable		 2nyuA-4c3yA:
17.08
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.
4cv7 VIRULENCE ASSOCIATED
PROTEIN VAPB

(Rhodococcus
hoagii) 		PF05526
(R_equi_Vir) 		5 GLY A  94
ALA A 129
GLY A 128
ALA A 127
VAL A  92
 None
 1.04A 2nyuA-4cv7A:
undetectable		 2nyuA-4cv7A:
25.29
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.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 259
ALA A 284
GLY A 261
LEU A 290
LEU A 285
 None
 1.00A 2nyuA-4ewgA:
undetectable		 2nyuA-4ewgA:
20.24
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 273
GLY A 271
ALA A 251
LEU A 165
LEU A 285
 None
 0.95A 2nyuA-4h27A:
2.1		 2nyuA-4h27A:
19.72
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 273
GLY A 271
ALA A 251
LEU A 165
LEU A 291
 None
 0.89A 2nyuA-4h27A:
2.1		 2nyuA-4h27A:
19.72
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 273
GLY A 271
ALA A 251
LEU A 165
VAL A  27
 None
 0.97A 2nyuA-4h27A:
2.1		 2nyuA-4h27A:
19.72
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.
4hjf GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		5 ALA A 441
GLY A 411
ALA A 412
LEU A 433
LEU A 436
 None
 1.02A 2nyuA-4hjfA:
undetectable		 2nyuA-4hjfA:
21.50
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 GLY A 179
ALA A 178
LEU A 211
VAL A  54
LEU A 225
 None
 0.98A 2nyuA-4i8qA:
3.1		 2nyuA-4i8qA:
17.27
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 170
GLY A 237
ALA A 345
GLY A 347
LEU A  14
 None
 1.02A 2nyuA-4jb6A:
undetectable		 2nyuA-4jb6A:
18.78
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.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 SER A 136
GLY A 226
ALA A 196
GLY A 195
VAL A 253
 SAM  A 402 (-3.9A)
None
None
None
None
 0.97A 2nyuA-4jxcA:
undetectable		 2nyuA-4jxcA:
23.31
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 GLY A  26
ALA A  28
ALA A  34
LEU A  51
VAL A  78
 None
 0.88A 2nyuA-4nbrA:
7.8		 2nyuA-4nbrA:
20.94
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.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 GLY A 311
ALA A 340
LEU A  14
LEU A 284
LEU A  33
 None
HEM  A 501 (-4.8A)
None
None
None
 1.04A 2nyuA-4oqrA:
undetectable		 2nyuA-4oqrA:
19.87
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 GLY A 675
ALA A 674
LEU A 707
VAL A 554
LEU A 720
 None
 1.03A 2nyuA-4q73A:
4.8		 2nyuA-4q73A:
12.24
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.
4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE

(Mycolicibacterium
smegmatis) 		PF04127
(DFP) 		5 ALA A 277
GLY A 197
LEU A 311
VAL A 330
LEU A 359
 CTP  A 500 (-4.8A)
None
CTP  A 500 (-3.9A)
None
None
 1.04A 2nyuA-4qjiA:
5.2		 2nyuA-4qjiA:
23.87
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.
4r0c ABGT PUTATIVE
TRANSPORTER FAMILY

(Alcanivorax
borkumensis) 		PF03806
(ABG_transport) 		5 ALA A 365
GLY A 369
ALA A 370
LEU A 413
VAL A 406
 None
 0.98A 2nyuA-4r0cA:
undetectable		 2nyuA-4r0cA:
18.29
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.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 5 GLY A1696
GLY A1700
TRP A1702
LEU A1720
LYS A1817
 None
 0.95A 2nyuA-4uclA:
10.2		 2nyuA-4uclA:
16.87
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.
4wd3 L-AMINO ACID LIGASE

(Bacillus
subtilis) 		PF13535
(ATP-grasp_4) 		5 GLY A  89
GLY A  99
ALA A  98
LEU A 106
LEU A  58
 None
 1.00A 2nyuA-4wd3A:
4.1		 2nyuA-4wd3A:
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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  14
ALA A  16
LEU A  39
LEU A  40
VAL A  65
 None
 0.92A 2nyuA-4weoA:
9.1		 2nyuA-4weoA:
22.43
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 SER A  36
GLY A 140
ALA A 142
LEU A 137
LEU A  29
 None
 0.90A 2nyuA-4z7yA:
undetectable		 2nyuA-4z7yA:
19.16
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.
4zow MULTIDRUG
TRANSPORTER MDFA

(Escherichia
coli) 		PF07690
(MFS_1) 		5 GLY A 229
ALA A 237
LEU A 356
LEU A 359
LEU A 394
 None
 1.01A 2nyuA-4zowA:
undetectable		 2nyuA-4zowA:
21.37
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.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		5 SER A 232
GLY A 354
ALA A 356
GLY A 359
ALA A 361
 None
 1.00A 2nyuA-4zzqA:
undetectable		 2nyuA-4zzqA:
19.67
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1670
GLY A1675
LEU A1694
MET A1763
LYS A1795
 None
 1.03A 2nyuA-5a22A:
14.3		 2nyuA-5a22A:
7.01
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.
5akr COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 GLY A 289
GLY A 286
ALA A 248
VAL A 264
LEU A 242
 None
 1.00A 2nyuA-5akrA:
undetectable		 2nyuA-5akrA:
18.09
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 ALA A 285
GLY A 283
ALA A 263
VAL A  38
LEU A 301
 None
 0.99A 2nyuA-5c3uA:
2.2		 2nyuA-5c3uA:
20.39
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 ALA A 285
GLY A 283
ALA A 263
VAL A 307
LEU A 298
 None
 1.04A 2nyuA-5c3uA:
2.2		 2nyuA-5c3uA:
20.39
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 SER A 187
GLY A 211
GLY A 215
ALA A 216
LEU A 235
 SAH  A 401 (-2.5A)
SAH  A 401 (-3.8A)
None
None
SAH  A 401 (-4.3A)
 0.78A 2nyuA-5cvvA:
11.0		 2nyuA-5cvvA:
18.82
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.
5d86 PROBABLE SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNA

(Staphylococcus
aureus) 		PF00291
(PALP) 		5 GLY A 271
ALA A 255
GLY A 257
ALA A 278
LEU A 307
 None
 1.03A 2nyuA-5d86A:
undetectable		 2nyuA-5d86A:
18.43
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.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 180
 SAM  A 311 (-3.2A)
SAM  A 311 ( 4.5A)
SAM  A 311 (-3.5A)
SAM  A 311 (-3.7A)
None
 0.64A 2nyuA-5ikmA:
14.0		 2nyuA-5ikmA:
22.11
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 180
 SAH  A1003 (-3.4A)
SAH  A1003 ( 4.6A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.7A)
None
 0.70A 2nyuA-5jjrA:
13.9		 2nyuA-5jjrA:
12.35