SIMILAR PATTERNS OF AMINO ACIDS FOR 2WD9_A_IBPA1570_1

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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		4 ILE A 175
VAL A 136
GLY A 181
GLY A 139
 None
 0.72A 2wd9A-1a0cA:
undetectable		 2wd9A-1a0cA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		4 LEU A 126
VAL A 178
GLY A 135
GLY A 133
 None
 0.66A 2wd9A-1a27A:
2.3		 2wd9A-1a27A:
18.97
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.
1a4s BETAINE ALDEHYDE
DEHYDROGENASE

(Gadus morhua) 		PF00171
(Aldedh) 		4 LEU A 369
VAL A 326
GLY A 327
GLY A 338
 None
 0.81A 2wd9A-1a4sA:
3.7		 2wd9A-1a4sA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aip ELONGATION FACTOR TS

(Thermus
thermophilus) 		PF00889
(EF_TS) 		4 ILE C   7
LEU C  10
GLY C  15
GLY C  17
 None
 0.66A 2wd9A-1aipC:
undetectable		 2wd9A-1aipC:
15.83
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.
1eb3 5-AMINOLAEVULINIC
ACID DEHYDRATASE

(Saccharomyces
cerevisiae) 		PF00490
(ALAD) 		4 ILE A 194
LEU A 193
VAL A 204
GLY A 256
 None
 0.67A 2wd9A-1eb3A:
undetectable		 2wd9A-1eb3A:
21.82
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.
1epx FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Leishmania
mexicana) 		PF00274
(Glycolytic) 		4 LEU A 186
GLY A 139
GLY A 136
THR A 117
 None
 0.81A 2wd9A-1epxA:
2.4		 2wd9A-1epxA:
20.34
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.
1he3 BILIVERDIN IX BETA
REDUCTASE

(Homo sapiens) 		PF13460
(NAD_binding_10) 		4 LEU A  40
VAL A  32
GLY A  10
ARG A  35
 None
None
NAP  A1206 (-3.1A)
NAP  A1206 (-3.6A)
 0.81A 2wd9A-1he3A:
2.8		 2wd9A-1he3A:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hux ACTIVATOR OF
(R)-2-HYDROXYGLUTARY
L-COA DEHYDRATASE

(Acidaminococcus
fermentans) 		PF01869
(BcrAD_BadFG) 		4 ILE A 191
GLY A 223
GLY A 153
ARG A 193
 None
 0.82A 2wd9A-1huxA:
undetectable		 2wd9A-1huxA:
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		4 LEU A 158
GLY A  47
GLY A 185
THR A 180
 None
 0.76A 2wd9A-1kplA:
undetectable		 2wd9A-1kplA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		4 ILE A  88
LEU A  87
GLY A  85
GLY A  27
 None
 0.82A 2wd9A-1kz1A:
2.9		 2wd9A-1kz1A:
14.41
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.
1qmy PROTEASE

(Foot-and-mouth
disease virus) 		PF05408
(Peptidase_C28) 		4 ILE A  83
LEU A  86
VAL A 103
GLY A  98
 None
 0.63A 2wd9A-1qmyA:
undetectable		 2wd9A-1qmyA:
15.47
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 ILE A 366
VAL A 442
GLY A 443
THR A 472
 AMP  A 720 (-4.9A)
AMP  A 720 ( 4.7A)
AMP  A 720 (-3.9A)
AMP  A 720 (-3.6A)
 0.71A 2wd9A-1ry2A:
42.5		 2wd9A-1ry2A:
29.24
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.
1te4 CONSERVED PROTEIN
MTH187

(Methanothermobacter
thermautotrophicus) 		PF13646
(HEAT_2) 		4 LEU A  62
GLY A  72
GLY A  67
ARG A  39
 None
 0.77A 2wd9A-1te4A:
undetectable		 2wd9A-1te4A:
15.62
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.
1ust HISTONE H1

(Saccharomyces
cerevisiae) 		PF00538
(Linker_histone) 		4 ILE A  51
LEU A  50
VAL A  80
GLY A  81
 None
 0.69A 2wd9A-1ustA:
undetectable		 2wd9A-1ustA:
11.72
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.
1x0m AMINOTRANSFERASE II
HOMOLOGUE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		4 ILE A 270
GLY A 356
GLY A 240
ARG A 326
 None
 0.79A 2wd9A-1x0mA:
4.2		 2wd9A-1x0mA:
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.
1xqs HSPBP1 PROTEIN

(Homo sapiens) 		PF08609
(Fes1) 		4 LEU A 296
VAL A 274
GLY A 306
THR A 301
 None
 0.81A 2wd9A-1xqsA:
undetectable		 2wd9A-1xqsA:
20.49
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.
1y80 PREDICTED COBALAMIN
BINDING PROTEIN

(Moorella
thermoacetica) 		PF02310
(B12-binding) 		4 ILE A 164
LEU A 163
VAL A 174
GLY A 190
 None
 0.70A 2wd9A-1y80A:
7.1		 2wd9A-1y80A:
18.65
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		4 LEU A 206
VAL A 158
GLY A 183
GLY A 156
 None
 0.77A 2wd9A-1ybfA:
2.2		 2wd9A-1ybfA:
16.93
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.
2bma GLUTAMATE
DEHYDROGENASE
(NADP+)

(Plasmodium
falciparum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 100
VAL A  79
GLY A 107
ARG A  93
 None
 0.73A 2wd9A-2bmaA:
3.7		 2wd9A-2bmaA:
22.66
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.
2ejx STK_08120

(Sulfurisphaera
tokodaii) 		PF11485
(DUF3211) 		4 ILE A  96
LEU A  97
GLY A  81
ARG A  71
 None
 0.77A 2wd9A-2ejxA:
undetectable		 2wd9A-2ejxA:
13.41
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ILE A  40
VAL A  64
GLY A  65
GLY A  35
 None
 0.81A 2wd9A-2f7lA:
undetectable		 2wd9A-2f7lA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		4 ILE A 296
LEU A 295
GLY A 180
GLY A 290
 None
None
FMN  A1904 (-3.7A)
FMN  A1904 ( 4.1A)
 0.76A 2wd9A-2gjnA:
2.6		 2wd9A-2gjnA:
19.86
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		4 ILE A 240
LEU A 239
GLY A 188
GLY A 183
 None
None
None
PLP  A 400 (-3.4A)
 0.82A 2wd9A-2isqA:
undetectable		 2wd9A-2isqA:
22.22
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.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Lactococcus
lactis) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 ILE A  98
LEU A  97
GLY A   7
ARG A  69
 None
 0.76A 2wd9A-2iyoA:
2.7		 2wd9A-2iyoA:
21.79
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.
2izw RYEGRASS MOTTLE
VIRUS COAT PROTEIN

(Ryegrass mottle
virus) 		PF00729
(Viral_coat) 		4 LEU A 209
VAL A 124
GLY A 215
THR A  75
 None
 0.76A 2wd9A-2izwA:
undetectable		 2wd9A-2izwA:
18.20
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.
2mii PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOB

(Escherichia
coli) 		PF13036
(LpoB) 		4 LEU A 178
VAL A  81
GLY A  80
GLY A  77
 None
 0.78A 2wd9A-2miiA:
undetectable		 2wd9A-2miiA:
16.93
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 VAL A 386
GLY A 387
THR A 416
ARG A 526
 None
PRX  A 998 (-3.4A)
PRX  A 998 (-3.7A)
PRX  A 998 (-3.9A)
 0.34A 2wd9A-2p2mA:
41.8		 2wd9A-2p2mA:
26.67
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		4 ILE A 144
LEU A 100
GLY A  98
GLY A  96
 None
 0.77A 2wd9A-2qveA:
undetectable		 2wd9A-2qveA:
22.15
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		4 ILE A 464
LEU A 465
GLY A  43
GLY A  48
 None
None
None
ADP  A1843 (-3.2A)
 0.63A 2wd9A-2vf8A:
2.4		 2wd9A-2vf8A:
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.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A 274
LEU A 275
VAL A 289
GLY A 288
 None
 0.73A 2wd9A-2x0iA:
3.1		 2wd9A-2x0iA:
18.91
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 101
VAL A  80
GLY A 108
ARG A  94
 None
 0.76A 2wd9A-2yfhA:
4.1		 2wd9A-2yfhA:
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.
3aov PUTATIVE
UNCHARACTERIZED
PROTEIN PH0207

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		4 ILE A 270
GLY A 356
GLY A 240
ARG A 326
 None
 0.79A 2wd9A-3aovA:
2.4		 2wd9A-3aovA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dhv D-ALANINE-POLY(PHOSP
HORIBITOL) LIGASE

(Bacillus cereus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 198
GLY A 270
GLY A 295
THR A 297
 DAL  A 701 ( 4.1A)
DAL  A 701 ( 3.1A)
AMP  A 711 ( 4.7A)
AMP  A 711 (-3.9A)
 0.62A 2wd9A-3dhvA:
37.8		 2wd9A-3dhvA:
26.82
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 197
GLY A 294
THR A 296
ARG A 407
 None
AMP  A 513 (-4.9A)
AMP  A 513 (-4.0A)
AMP  A 513 (-3.8A)
 0.60A 2wd9A-3e7wA:
38.7		 2wd9A-3e7wA:
25.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 462
VAL A 433
GLY A 434
ARG A 469
 None
 0.73A 2wd9A-3fg4A:
undetectable		 2wd9A-3fg4A:
22.24
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		4 ILE A 326
LEU A 325
GLY A 306
ARG A 195
 None
 0.76A 2wd9A-3fjyA:
undetectable		 2wd9A-3fjyA:
20.34
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 ILE A 461
LEU A 460
VAL A 434
GLY A 458
 None
 0.81A 2wd9A-3h09A:
undetectable		 2wd9A-3h09A:
19.38
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.
3icv LIPASE B

(Moesziomyces
antarcticus) 		no annotation 4 LEU A 216
VAL A 270
GLY A 271
THR A 213
 None
 0.80A 2wd9A-3icvA:
3.7		 2wd9A-3icvA:
19.02
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.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 ILE A  48
LEU A  47
VAL A  31
THR A  18
 None
 0.80A 2wd9A-3ijpA:
3.1		 2wd9A-3ijpA:
22.56
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ILE A 286
LEU A 290
VAL A 169
GLY A 168
 None
None
CSO  A  13 ( 3.6A)
None
 0.78A 2wd9A-3il4A:
undetectable		 2wd9A-3il4A:
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.
3ipl 2-SUCCINYLBENZOATE--
COA LIGASE

(Staphylococcus
aureus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ILE A 214
GLY A 281
GLY A 304
THR A 306
 None
 0.65A 2wd9A-3iplA:
38.0		 2wd9A-3iplA:
27.06
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.
3izk CHAPERONIN

(Methanococcus
maripaludis) 		PF00118
(Cpn60_TCP1) 		4 ILE A  73
LEU A  72
VAL A  91
GLY A  55
 None
 0.76A 2wd9A-3izkA:
undetectable		 2wd9A-3izkA:
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.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 196
GLY A 268
GLY A 293
THR A 295
 None
ATP  A 600 (-3.4A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-3.6A)
 0.67A 2wd9A-3lgxA:
41.2		 2wd9A-3lgxA:
26.24
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.
3qkc GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Antirrhinum
majus) 		no annotation 4 ILE B 230
LEU B 233
GLY B 213
GLY B 217
 None
 0.75A 2wd9A-3qkcB:
undetectable		 2wd9A-3qkcB:
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.
3r3j GLUTAMATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 164
VAL A 143
GLY A 171
ARG A 157
 None
 0.76A 2wd9A-3r3jA:
4.2		 2wd9A-3r3jA:
22.35
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.
3r5b TETRAHYDRODIPICOLINA
TE
N-SUCCINYLETRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		4 ILE A 252
VAL A 228
GLY A 227
GLY A 244
 None
None
None
NPI  A 381 (-3.2A)
 0.79A 2wd9A-3r5bA:
undetectable		 2wd9A-3r5bA:
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.
3s6h N-ACETYLGLUTAMATE
KINASE /
N-ACETYLGLUTAMATE
SYNTHASE

(Maricaulis
maris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		4 GLY A 153
GLY A 179
THR A 185
ARG A 151
 None
 0.72A 2wd9A-3s6hA:
2.0		 2wd9A-3s6hA:
23.37
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.
3sng NUCLEASE

(Solanum
lycopersicum) 		PF02265
(S1-P1_nuclease) 		4 LEU A 259
VAL A 253
GLY A 252
GLY A 249
 None
 0.79A 2wd9A-3sngA:
undetectable		 2wd9A-3sngA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		4 ILE B  87
LEU B  90
VAL B 126
GLY B 124
 None
 0.81A 2wd9A-3u9rB:
undetectable		 2wd9A-3u9rB:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE

(Delftia sp.
HT23) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		4 ILE A 155
LEU A 152
GLY A 145
GLY A 143
 None
 0.78A 2wd9A-3wqfA:
undetectable		 2wd9A-3wqfA:
21.86
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ILE A 704
LEU A 705
GLY A 645
GLY A 699
 None
 0.82A 2wd9A-4av6A:
undetectable		 2wd9A-4av6A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 103
VAL A  82
GLY A 110
ARG A  96
 None
 0.80A 2wd9A-4bhtA:
2.5		 2wd9A-4bhtA:
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 274
GLY A 300
THR A 302
ARG A 420
 ANP  A1489 ( 3.3A)
GOL  A1490 (-3.9A)
ANP  A1489 ( 3.6A)
ANP  A1489 (-3.8A)
 0.31A 2wd9A-4d4gA:
41.6		 2wd9A-4d4gA:
28.17
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 GLY A 283
GLY A 308
THR A 310
ARG A 426
 BU3  A 702 ( 3.1A)
BU3  A 702 (-4.6A)
AMP  A 701 (-3.8A)
AMP  A 701 (-3.1A)
 0.61A 2wd9A-4dg8A:
36.1		 2wd9A-4dg8A:
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.
4dng UNCHARACTERIZED
ALDEHYDE
DEHYDROGENASE ALDY

(Bacillus
subtilis) 		PF00171
(Aldedh) 		4 ILE A 330
LEU A 329
GLY A 327
GLY A  96
 None
 0.80A 2wd9A-4dngA:
undetectable		 2wd9A-4dngA:
23.32
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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		4 ILE A  75
LEU A  74
VAL A  67
GLY A  60
 None
 0.72A 2wd9A-4ex9A:
undetectable		 2wd9A-4ex9A:
21.35
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		4 LEU B  85
VAL B 106
GLY B  79
ARG B 168
 None
None
ATP  B 301 (-3.2A)
None
 0.67A 2wd9A-4f6tB:
undetectable		 2wd9A-4f6tB:
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.
4g3m RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Bacillus
subtilis) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 ILE A 218
LEU A 219
VAL A 295
GLY A 291
 None
None
None
AI9  A 402 ( 4.0A)
 0.67A 2wd9A-4g3mA:
3.1		 2wd9A-4g3mA:
22.03
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF01336
(tRNA_anti-codon)
PF08646
(Rep_fac-A_C)
PF16900
(REPA_OB_2) 		4 ILE C 549
LEU C 548
VAL C 477
ARG C 573
 None
 0.64A 2wd9A-4gnxC:
undetectable		 2wd9A-4gnxC:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k25 PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN QRI7,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00814
(Peptidase_M22) 		4 LEU A 147
GLY A 370
GLY A 142
THR A 113
 None
 0.77A 2wd9A-4k25A:
undetectable		 2wd9A-4k25A:
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 ILE E  18
LEU E 158
GLY E  23
GLY E  20
THR E 161
 FAD  E 505 (-4.9A)
None
FAD  E 505 (-3.6A)
FAD  E 505 ( 4.8A)
FAD  E 505 (-3.9A)
 1.39A 2wd9A-4kprE:
undetectable		 2wd9A-4kprE:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		4 ILE A  67
VAL A 168
GLY A 165
GLY A  51
 None
 0.82A 2wd9A-4nefA:
undetectable		 2wd9A-4nefA:
19.20
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.
4o2w E3 UBIQUITIN-PROTEIN
LIGASE HERC1

(Homo sapiens) 		PF00415
(RCC1) 		4 ILE A4269
LEU A4268
GLY A4247
THR A4262
 None
 0.81A 2wd9A-4o2wA:
undetectable		 2wd9A-4o2wA:
24.70
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.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		4 GLY A 317
GLY A 341
THR A 343
ARG A 457
 GAP  A 601 (-3.2A)
GAP  A 601 (-4.9A)
GAP  A 601 (-4.0A)
GAP  A 601 (-3.7A)
 0.35A 2wd9A-4oxiA:
36.3		 2wd9A-4oxiA:
26.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		4 ILE A 214
LEU A 215
VAL A 332
GLY A 233
 None
 0.68A 2wd9A-4p53A:
4.0		 2wd9A-4p53A:
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.
4rgg PUTATIVE PHAGE
STRUCTURAL PROTEIN

(Lactococcus
phage 1358) 		no annotation 5 ILE A 167
LEU A 150
VAL A  32
GLY A  31
ARG A 132
 None
 0.98A 2wd9A-4rggA:
undetectable		 2wd9A-4rggA:
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.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		4 ILE A 240
LEU A 239
GLY A 137
GLY A 233
 None
 0.76A 2wd9A-4rncA:
3.3		 2wd9A-4rncA:
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		4 LEU A  31
VAL A 119
GLY A 118
GLY A  34
 None
 0.75A 2wd9A-4y9wA:
undetectable		 2wd9A-4y9wA:
19.79
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.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		4 ILE A 169
VAL A 254
GLY A 255
THR A 183
 None
 0.74A 2wd9A-4yleA:
6.7		 2wd9A-4yleA:
20.48
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		4 LEU A 174
GLY A  12
GLY A  36
THR A 178
 None
FAD  A 401 ( 4.8A)
None
None
 0.76A 2wd9A-4yshA:
undetectable		 2wd9A-4yshA:
23.39
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.
4zox 60S RIBOSOMAL
PROTEIN L10
RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 4 ILE A 113
GLY A 109
GLY A 131
ARG B   3
 None
 0.68A 2wd9A-4zoxA:
undetectable		 2wd9A-4zoxA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5di0 NATTERIN-LIKE
PROTEIN

(Danio rerio) 		PF03318
(ETX_MTX2) 		4 LEU A 150
VAL A 153
GLY A 216
THR A 236
 None
 0.70A 2wd9A-5di0A:
undetectable		 2wd9A-5di0A:
20.52
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.
5dmg RB86 ANTIBODY FAB
FRAGMENT LIGHT CHAIN

(Oryctolagus
cuniculus) 		no annotation 4 LEU L 598
GLY L 710
GLY L 712
THR L 581
 None
 0.80A 2wd9A-5dmgL:
undetectable		 2wd9A-5dmgL:
18.39
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.
5eum LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA

(Haemophilus
influenzae) 		PF00005
(ABC_tran) 		4 ILE A 412
LEU A 407
VAL A 506
ARG A 421
 None
 0.79A 2wd9A-5eumA:
undetectable		 2wd9A-5eumA:
16.52
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.
5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		PF00180
(Iso_dh) 		4 LEU A 318
VAL A 245
GLY A 244
GLY A 241
 None
 0.76A 2wd9A-5griA:
3.0		 2wd9A-5griA:
20.90
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		4 ILE A 284
LEU A 283
GLY A 172
GLY A 278
 None
None
FMN  A 402 (-3.7A)
FMN  A 402 ( 4.0A)
 0.77A 2wd9A-5gvhA:
3.6		 2wd9A-5gvhA:
21.01
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.
5ip4 NEURONAL MIGRATION
PROTEIN DOUBLECORTIN

(Homo sapiens) 		PF03607
(DCX) 		4 ILE D 331
LEU D 309
VAL D 306
GLY D 334
 None
 0.78A 2wd9A-5ip4D:
undetectable		 2wd9A-5ip4D:
10.19
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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT II

(Geobacillus
stearothermophilus) 		PF02322
(Cyt_bd_oxida_II) 		4 ILE B 316
LEU B 319
VAL B  21
GLY B  17
 None
 0.77A 2wd9A-5ir6B:
undetectable		 2wd9A-5ir6B:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 GLY A 723
GLY A 747
THR A 749
ARG A 866
 75C  A1301 (-3.4A)
75C  A1301 (-4.7A)
75C  A1301 (-4.5A)
75C  A1301 (-4.0A)
 0.33A 2wd9A-5ja1A:
39.6		 2wd9A-5ja1A:
18.52
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 290
GLY A 315
THR A 317
ARG A 434
 6L1  A 601 (-3.3A)
6L1  A 601 (-4.7A)
6L1  A 601 (-3.5A)
6L1  A 601 (-3.6A)
 0.38A 2wd9A-5jjqA:
33.0		 2wd9A-5jjqA:
26.81
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.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		4 ILE A  56
VAL A  39
GLY A  38
GLY A 335
 None
 0.77A 2wd9A-5jrjA:
undetectable		 2wd9A-5jrjA:
23.39
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 ILE A 335
VAL A 411
GLY A 412
THR A 441
 None
ATP  A 703 (-4.8A)
ATP  A 703 ( 3.4A)
ATP  A 703 ( 3.7A)
 0.54A 2wd9A-5k8fA:
39.5		 2wd9A-5k8fA:
28.20
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.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		4 ILE A 164
LEU A 165
VAL A  56
GLY A 158
 None
 0.75A 2wd9A-5kh0A:
5.2		 2wd9A-5kh0A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 LEU B 323
GLY B 474
GLY B 316
ARG B 343
 None
 0.79A 2wd9A-5kohB:
undetectable		 2wd9A-5kohB:
21.11
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.
5lad PUTATIVE GTP-BINDING
PROTEIN

(Thermotoga
maritima) 		PF01926
(MMR_HSR1) 		4 ILE A 168
LEU A 169
VAL A  57
GLY A 162
 None
 0.72A 2wd9A-5ladA:
5.0		 2wd9A-5ladA:
22.98
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		4 ILE A 473
LEU A 474
GLY A 423
GLY A 449
 None
 0.81A 2wd9A-5m60A:
2.1		 2wd9A-5m60A:
21.33
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.
5o30 PUTATIVE
OXIDOREDUCTASE

(Ilumatobacter
coccineus) 		PF13561
(adh_short_C2) 		4 LEU A 136
VAL A 188
GLY A 145
GLY A 143
 None
 0.71A 2wd9A-5o30A:
2.9		 2wd9A-5o30A:
21.42
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.
5o8r L-LYSINE
6-MONOOXYGENASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 4 LEU A  20
VAL A 153
GLY A  10
GLY A 155
 None
 0.73A 2wd9A-5o8rA:
undetectable		 2wd9A-5o8rA:
10.18
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM6

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 ILE 6 661
LEU 6 672
GLY 6 392
GLY 6 626
 None
 0.62A 2wd9A-5udb6:
undetectable		 2wd9A-5udb6:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 LEU A 792
VAL A 751
GLY A 752
GLY A 763
 None
 0.75A 2wd9A-5ux5A:
undetectable		 2wd9A-5ux5A:
20.66
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.
5w5b HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CMR

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A 101
LEU A 102
VAL A  81
GLY A  84
 None
 0.71A 2wd9A-5w5bA:
undetectable		 2wd9A-5w5bA:
9.76
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 GLY A 282
GLY A 307
THR A 309
ARG A 424
 B6G  A1001 (-3.4A)
B6G  A1001 (-4.8A)
B6G  A1001 (-3.8A)
B6G  A1001 (-4.0A)
 0.34A 2wd9A-5wmmA:
39.0		 2wd9A-5wmmA:
10.30
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.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 4 ILE C 319
LEU C 320
GLY C 323
GLY C 279
 None
 0.80A 2wd9A-5wqlC:
undetectable		 2wd9A-5wqlC:
21.11
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 4 LEU A  89
VAL A  68
GLY A  96
ARG A  82
 None
 0.73A 2wd9A-5xviA:
2.1		 2wd9A-5xviA:
9.56
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.
5xyi 40S RIBOSOMAL
PROTEIN S16,
PUTATIVE

(Trichomonas
vaginalis) 		PF00380
(Ribosomal_S9) 		4 ILE Q  26
LEU Q  25
GLY Q  22
GLY Q  58
 None
 0.61A 2wd9A-5xyiQ:
undetectable		 2wd9A-5xyiQ:
13.03
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.
5yy8 INFLUENZA VIRUS
NS1A-BINDING PROTEIN

(Homo sapiens) 		no annotation 4 ILE A  57
LEU A  56
VAL A 297
GLY A 286
 None
 0.81A 2wd9A-5yy8A:
undetectable		 2wd9A-5yy8A:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c2h CYSTATHIONINE
BETA-SYNTHASE

(Saccharomyces
cerevisiae) 		no annotation 4 ILE A 260
LEU A 259
GLY A 203
GLY A 198
 None
None
None
PLP  A 401 (-3.3A)
 0.75A 2wd9A-6c2hA:
undetectable		 2wd9A-6c2hA:
10.95
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.
6c9b PLP-DEPENDENT
L-ARGININE
HYDROXYLASE MPPP

(Streptomyces
wadayamensis) 		no annotation 4 LEU A 373
VAL A 298
GLY A 297
GLY A 294
 None
 0.69A 2wd9A-6c9bA:
2.5		 2wd9A-6c9bA:
8.57
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 ILE A  11
LEU A 143
GLY A  16
GLY A  13
THR A 146
 FAD  A 502 ( 4.9A)
None
FAD  A 502 (-3.7A)
FAD  A 502 ( 4.8A)
FAD  A 502 (-4.2A)
 1.43A 2wd9A-6cmzA:
undetectable		 2wd9A-6cmzA:
15.47