SIMILAR PATTERNS OF AMINO ACIDS FOR 3ZWI_A_ASCA156_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
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.
1cit PROTEIN (ORPHAN
NUCLEAR RECEPTOR
NGFI-B)

(Rattus
norvegicus) 		PF00105
(zf-C4) 		4 ALA A 233
GLY A 251
CYH A 252
LYS A 253
 None
None
ZN  A 398 ( 2.5A)
None
 1.27A 3zwiA-1citA:
undetectable		 3zwiA-1citA:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqa CYTOCHROME C'

(Rhodobacter
sphaeroides) 		PF01322
(Cytochrom_C_2) 		4 ALA A  18
GLY A 116
CYH A 119
HIS A 123
 HEC  A 131 ( 3.8A)
None
HEC  A 131 (-1.8A)
HEC  A 131 (-3.1A)
 0.32A 3zwiA-1gqaA:
17.6		 3zwiA-1gqaA:
39.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqa CYTOCHROME C'

(Rhodobacter
sphaeroides) 		PF01322
(Cytochrom_C_2) 		4 GLY A 116
CYH A 119
LYS A 120
HIS A 123
 None
HEC  A 131 (-1.8A)
None
HEC  A 131 (-3.1A)
 0.51A 3zwiA-1gqaA:
17.6		 3zwiA-1gqaA:
39.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqa CYTOCHROME C'

(Rhodobacter
sphaeroides) 		PF01322
(Cytochrom_C_2) 		4 GLY A 117
CYH A 119
LYS A 120
HIS A 123
 None
HEC  A 131 (-1.8A)
None
HEC  A 131 (-3.1A)
 1.06A 3zwiA-1gqaA:
17.6		 3zwiA-1gqaA:
39.10
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.
1isu HIGH POTENTIAL IRON
SULFUR PROTEIN

(Rhodocyclus
tenuis) 		PF01355
(HIPIP) 		4 ALA A  37
GLY A  53
CYH A  22
LYS A  21
 None
None
SF4  A  63 (-2.2A)
None
 1.43A 3zwiA-1isuA:
undetectable		 3zwiA-1isuA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mqv CYTOCHROME C'

(Rhodopseudomonas
palustris) 		PF01322
(Cytochrom_C_2) 		4 GLY A 111
CYH A 113
LYS A 114
HIS A 117
 None
HEM  A 150 (-1.9A)
None
HEM  A 150 (-3.3A)
 0.83A 3zwiA-1mqvA:
14.8		 3zwiA-1mqvA:
36.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nbb CYTOCHROME C'

(Rhodobacter
capsulatus) 		PF01322
(Cytochrom_C_2) 		4 GLY A 115
CYH A 118
LYS A 119
HIS A 122
 None
HEM  A 130 (-1.7A)
None
HEM  A 130 (-3.2A)
 0.61A 3zwiA-1nbbA:
17.6		 3zwiA-1nbbA:
31.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nbb CYTOCHROME C'

(Rhodobacter
capsulatus) 		PF01322
(Cytochrom_C_2) 		4 GLY A 116
CYH A 118
LYS A 119
HIS A 122
 None
HEM  A 130 (-1.7A)
None
HEM  A 130 (-3.2A)
 1.12A 3zwiA-1nbbA:
17.6		 3zwiA-1nbbA:
31.11
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A1195
GLY A1209
CYH A1210
LYS A1211
 None
 1.29A 3zwiA-1p0cA:
undetectable		 3zwiA-1p0cA:
18.63
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.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 ALA A  73
GLY A  46
CYH A  49
LYS A  50
 None
 1.11A 3zwiA-1pweA:
undetectable		 3zwiA-1pweA:
18.54
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 227
GLY A 218
CYH A 243
LYS A 244
 None
 1.32A 3zwiA-1qgdA:
undetectable		 3zwiA-1qgdA:
12.21
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ALA A 209
GLY A 387
CYH A 191
LYS A 190
 None
 1.31A 3zwiA-1qlbA:
2.5		 3zwiA-1qlbA:
12.54
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.
1qv9 F420-DEPENDENT
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE

(Methanopyrus
kandleri) 		PF01993
(MTD) 		4 ALA A  83
GLY A  39
CYH A  11
LYS A  10
 None
 1.31A 3zwiA-1qv9A:
undetectable		 3zwiA-1qv9A:
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.
1qyp RNA POLYMERASE II

(Thermococcus
celer) 		PF01096
(TFIIS_C) 		4 ALA A  26
GLY A  22
LYS A  20
HIS A  51
 None
 1.37A 3zwiA-1qypA:
undetectable		 3zwiA-1qypA:
17.32
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.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 ALA A 242
GLY A 297
CYH A 296
LYS A 295
 None
 1.26A 3zwiA-1tj7A:
3.0		 3zwiA-1tj7A:
15.56
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.
1yb0 PROPHAGE LAMBDABA02,
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE,
FAMILY 2

(Bacillus
anthracis) 		PF01510
(Amidase_2) 		4 ALA A  72
GLY A  82
CYH A  75
HIS A  29
 None
None
None
ZN  A 160 ( 3.2A)
 1.23A 3zwiA-1yb0A:
undetectable		 3zwiA-1yb0A:
21.60
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.
1zki HYPOTHETICAL PROTEIN
PA5202

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		4 ALA A 127
GLY A  61
CYH A  64
HIS A  68
 None
 1.15A 3zwiA-1zkiA:
undetectable		 3zwiA-1zkiA:
17.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ccy CYTOCHROME C

(Phaeospirillum
molischianum) 		PF01322
(Cytochrom_C_2) 		4 GLY A 115
CYH A 118
LYS A 119
HIS A 122
 None
HEM  A 129 (-1.7A)
None
HEM  A 129 (-3.2A)
 0.72A 3zwiA-2ccyA:
16.2		 3zwiA-2ccyA:
34.59
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A  42
GLY A 174
CYH A 173
HIS A  66
 None
NAD  A1377 ( 4.4A)
ZN  A 376 ( 3.0A)
ZN  A 376 (-3.3A)
 1.47A 3zwiA-2fzwA:
undetectable		 3zwiA-2fzwA:
17.38
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 341
GLY A 307
CYH A 311
LYS A 309
 None
 1.36A 3zwiA-2gl5A:
undetectable		 3zwiA-2gl5A:
15.79
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		4 ALA A 436
GLY A 480
CYH A 479
HIS A 202
 None
None
None
FAD  A 700 (-3.9A)
 1.46A 3zwiA-2i0kA:
undetectable		 3zwiA-2i0kA:
13.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j8w CYTOCHROME C'

(Rubrivivax
gelatinosus) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 116
CYH A 119
HIS A 123
 HEM  A1129 ( 3.7A)
None
HEM  A1129 (-1.8A)
HEM  A1129 (-3.4A)
 0.16A 3zwiA-2j8wA:
21.2		 3zwiA-2j8wA:
47.69
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.
2lxn GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG] SUBUNIT A

(Methanocaldococcus
jannaschii) 		PF00117
(GATase) 		4 ALA A  68
GLY A 159
LYS A 151
HIS A 152
 None
 1.50A 3zwiA-2lxnA:
undetectable		 3zwiA-2lxnA:
19.37
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.
2nll PROTEIN (RETINOIC
ACID RECEPTOR)

(Homo sapiens) 		PF00105
(zf-C4) 		4 ALA A 136
GLY A 154
CYH A 155
LYS A 156
 None
None
ZN  A 250 (-2.3A)
None
 1.31A 3zwiA-2nllA:
undetectable		 3zwiA-2nllA:
18.90
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ALA A 257
GLY A 280
LYS A 283
HIS A 304
 None
 1.43A 3zwiA-2pt6A:
undetectable		 3zwiA-2pt6A:
15.94
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.
2x1f MRNA
3'-END-PROCESSING
PROTEIN RNA15

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 ALA A  62
GLY A  92
CYH A  91
LYS A  90
 None
G  B   1 ( 3.6A)
None
U  B   2 ( 4.6A)
 1.33A 3zwiA-2x1fA:
undetectable		 3zwiA-2x1fA:
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.
3cbb HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA, DNA
BINDING DOMAIN

(Homo sapiens) 		PF00105
(zf-C4) 		4 ALA A  52
GLY A  70
CYH A  71
LYS A  72
 None
None
ZN  A1001 (-2.3A)
None
 1.29A 3zwiA-3cbbA:
undetectable		 3zwiA-3cbbA:
17.60
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.
3cbb HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA, DNA
BINDING DOMAIN

(Homo sapiens) 		PF00105
(zf-C4) 		4 ALA A 114
GLY A  55
CYH A  51
LYS A  49
 None
None
ZN  A1001 (-2.4A)
None
 1.42A 3zwiA-3cbbA:
undetectable		 3zwiA-3cbbA:
17.60
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.
3d2s MUSCLEBLIND-LIKE
PROTEIN 1

(Homo sapiens) 		PF00642
(zf-CCCH) 		4 ALA A 203
GLY A 196
CYH A 200
HIS A 242
 None
None
ZN  A 303 (-2.3A)
None
 1.31A 3zwiA-3d2sA:
undetectable		 3zwiA-3d2sA:
17.59
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 ALA A 136
GLY A 154
CYH A 155
LYS A 156
 None
None
ZN  A7221 (-2.5A)
None
 1.33A 3zwiA-3dzuA:
undetectable		 3zwiA-3dzuA:
15.78
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 ALA A 595
GLY A 211
CYH A 213
HIS A 604
 None
 1.36A 3zwiA-3egwA:
undetectable		 3zwiA-3egwA:
7.41
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.
3foj UNCHARACTERIZED
PROTEIN

(Staphylococcus
saprophyticus) 		PF00581
(Rhodanese) 		4 ALA A  70
GLY A  89
CYH A  63
LYS A  64
 None
 1.34A 3zwiA-3fojA:
undetectable		 3zwiA-3fojA:
19.51
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.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 229
GLY A 220
CYH A 245
LYS A 246
 None
 1.50A 3zwiA-3komA:
undetectable		 3zwiA-3komA:
11.59
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		4 ALA A  78
GLY A 149
CYH A  24
HIS A  94
 None
 1.03A 3zwiA-3l0zA:
undetectable		 3zwiA-3l0zA:
19.37
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.
3mcw PUTATIVE HYDROLASE

(Chromobacterium
violaceum) 		PF00857
(Isochorismatase) 		4 ALA A  39
GLY A 119
CYH A 147
HIS A  33
 None
 1.47A 3zwiA-3mcwA:
undetectable		 3zwiA-3mcwA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vrc CYTOCHROME C'

(Thermochromatium
tepidum) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 118
CYH A 121
HIS A 125
 HEC  A 200 ( 3.8A)
None
HEC  A 200 (-1.9A)
HEC  A 200 (-3.3A)
 0.18A 3zwiA-3vrcA:
17.2		 3zwiA-3vrcA:
30.30
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 ALA A  16
GLY A  37
CYH A  28
LYS A  29
 None
 1.47A 3zwiA-3w3aA:
undetectable		 3zwiA-3w3aA:
12.13
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.
3zo9 TREHALOSE
SYNTHASE/AMYLASE
TRES

(Mycolicibacterium
smegmatis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ALA A 489
GLY A 400
LYS A  37
HIS A  38
 None
 1.48A 3zwiA-3zo9A:
undetectable		 3zwiA-3zo9A:
12.08
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.
4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 ALA A 395
GLY A 327
CYH A 328
LYS A 329
 None
None
None
EDO  A1534 (-3.4A)
 1.33A 3zwiA-4c1sA:
undetectable		 3zwiA-4c1sA:
13.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cx9 CYTOCHROME C, CLASS
II

(Shewanella
frigidimarina) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 115
CYH A 118
LYS A 119
 HEC  A1129 (-3.5A)
None
HEC  A1129 (-1.9A)
None
 0.79A 3zwiA-4cx9A:
19.9		 3zwiA-4cx9A:
41.86
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) 		4 ALA A 163
GLY A 341
CYH A 340
HIS A 335
 None
 1.18A 3zwiA-4ewgA:
undetectable		 3zwiA-4ewgA:
17.35
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.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 394
GLY A 341
CYH A 340
HIS A 335
 None
 1.28A 3zwiA-4ewgA:
undetectable		 3zwiA-4ewgA:
17.35
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.
4fln PROTEASE DO-LIKE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 ALA A 283
GLY A 144
CYH A 160
HIS A 159
 None
 1.32A 3zwiA-4flnA:
undetectable		 3zwiA-4flnA:
11.55
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 ALA A 444
GLY A 429
CYH A 430
HIS A 432
 None
 1.45A 3zwiA-4jz6A:
undetectable		 3zwiA-4jz6A:
13.81
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 ALA A 713
GLY A 683
CYH A 686
HIS A 690
 None
 0.78A 3zwiA-4lglA:
undetectable		 3zwiA-4lglA:
9.19
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ALA A 497
GLY A 408
LYS A  45
HIS A  46
 None
None
GOL  A 703 (-3.7A)
GOL  A 703 (-4.5A)
 1.30A 3zwiA-4lxfA:
undetectable		 3zwiA-4lxfA:
11.00
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 227
GLY A 218
CYH A 242
LYS A 243
 None
 1.49A 3zwiA-4xeuA:
undetectable		 3zwiA-4xeuA:
11.83
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.
4ymr PROTEIN SNX21

(Mus musculus) 		no annotation 4 ALA A 251
GLY A 278
CYH A 282
HIS A 283
 None
 1.38A 3zwiA-4ymrA:
undetectable		 3zwiA-4ymrA:
23.60
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.
4ymr PROTEIN SNX21

(Mus musculus) 		no annotation 4 ALA A 254
GLY A 278
CYH A 282
HIS A 283
 None
 1.49A 3zwiA-4ymrA:
undetectable		 3zwiA-4ymrA:
23.60
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.
4z9d PERTUSSIS TOXIN-LIKE
SUBUNIT ARTA

(Escherichia
coli) 		PF02917
(Pertussis_S1) 		4 ALA A  52
GLY A  38
CYH A  41
HIS A  26
 NAD  A 202 (-3.5A)
NAD  A 202 (-3.8A)
NAD  A 202 (-4.1A)
NAD  A 202 (-3.8A)
 1.38A 3zwiA-4z9dA:
undetectable		 3zwiA-4z9dA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi arvense) 		PF01344
(Kelch_1) 		4 ALA A  21
GLY A  39
CYH A  37
HIS A 326
 None
 1.49A 3zwiA-5a11A:
undetectable		 3zwiA-5a11A:
16.00
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		4 ALA A 138
GLY A 143
CYH A 344
HIS A 348
 None
 1.30A 3zwiA-5aexA:
undetectable		 3zwiA-5aexA:
14.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3i CYTOCHROME C PRIME

(Hydrogenophilus
thermoluteolus) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
CYH A 124
LYS A 125
HIS A 128
 HEM  A 201 (-3.6A)
HEM  A 201 (-1.8A)
None
HEM  A 201 (-3.4A)
 1.07A 3zwiA-5b3iA:
17.4		 3zwiA-5b3iA:
34.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3i CYTOCHROME C PRIME

(Hydrogenophilus
thermoluteolus) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 121
CYH A 124
HIS A 128
 HEM  A 201 (-3.6A)
None
HEM  A 201 (-1.8A)
HEM  A 201 (-3.4A)
 0.14A 3zwiA-5b3iA:
17.4		 3zwiA-5b3iA:
34.31
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 4 ALA A 129
GLY A  70
CYH A  46
HIS A 102
 None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.3A)
 1.29A 3zwiA-5b5zA:
undetectable		 3zwiA-5b5zA:
17.38
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.
5eyi NON-STRUCTURAL
PROTEIN 11

(Porcine
reproductive
and respiratory
syndrome virus) 		no annotation 4 ALA A 173
GLY A 133
CYH A 143
HIS A 144
 None
None
None
CL  A 302 (-4.8A)
 1.02A 3zwiA-5eyiA:
undetectable		 3zwiA-5eyiA:
22.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gyr CYTOCHROME C'

(Allochromatium
vinosum) 		PF01322
(Cytochrom_C_2) 		4 GLY A 118
CYH A 121
LYS A 122
HIS A 125
 None
HEM  A 201 (-2.2A)
None
HEM  A 201 (-3.4A)
 0.61A 3zwiA-5gyrA:
5.3		 3zwiA-5gyrA:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jt4 CYTOCHROME C'

(Achromobacter
xylosoxidans) 		PF01322
(Cytochrom_C_2) 		5 ALA A  20
GLY A 113
CYH A 116
LYS A 117
HIS A 120
 ASC  A 202 ( 3.3A)
ASC  A 202 (-3.9A)
HEC  A 201 (-1.9A)
None
HEC  A 201 (-3.2A)
 0.36A 3zwiA-5jt4A:
24.9		 3zwiA-5jt4A:
99.20
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.
5k8o 5-NITROANTHRANILIC
ACID AMINOHYDROLASE

(Bradyrhizobium
sp.) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ALA A 394
GLY A 127
CYH A 125
HIS A  86
 6R7  A 502 (-4.2A)
None
MN  A 501 ( 4.9A)
MN  A 501 (-3.4A)
 1.46A 3zwiA-5k8oA:
undetectable		 3zwiA-5k8oA:
15.02
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.
5lb3 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		4 ALA B 414
GLY B 430
CYH B 431
HIS B 433
 None
None
ZN  B 501 (-2.4A)
None
 1.42A 3zwiA-5lb3B:
undetectable		 3zwiA-5lb3B:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 224
GLY A 215
CYH A 240
LYS A 241
 None
 1.49A 3zwiA-5vrbA:
undetectable		 3zwiA-5vrbA:
11.94
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 4 ALA A 413
GLY A 484
CYH A 387
LYS A 482
 None
 0.77A 3zwiA-5wp4A:
undetectable		 3zwiA-5wp4A:
13.85
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 4 ALA A 413
GLY A 484
CYH A 387
LYS A 482
 None
 0.76A 3zwiA-5wp5A:
undetectable		 3zwiA-5wp5A:
13.24
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.
5x45 PROTEASE 2A

(Rhinovirus C) 		no annotation 4 ALA A 121
GLY A 106
CYH A  16
HIS A  18
 None
 1.26A 3zwiA-5x45A:
undetectable		 3zwiA-5x45A:
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.
5y51 -

(-) 		no annotation 4 ALA A  21
GLY A  16
CYH A  18
HIS A 169
 None
 1.48A 3zwiA-5y51A:
undetectable		 3zwiA-5y51A:
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.
6gng -

(-) 		no annotation 4 ALA A 369
GLY A 498
CYH A 499
LYS A 500
 None
 1.28A 3zwiA-6gngA:
undetectable		 3zwiA-6gngA:
undetectable