SIMILAR PATTERNS OF AMINO ACIDS FOR 4XNX_A_41XA707

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.
1a99 PUTRESCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 PHE A 266
ASP A 247
TYR A 314
GLY A 139
GLY A 334
 None
PUT  A 371 (-3.0A)
PUT  A 371 (-4.9A)
None
None
 1.13A 4xnxA-1a99A:
0.0		 4xnxA-1a99A:
19.85
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.
1akp APOKEDARCIDIN

(actinomycete
ATCC 53650) 		PF00960
(Neocarzinostat) 		5 ALA A  23
VAL A   5
GLY A 101
SER A   2
GLY A  25
 None
 1.24A 4xnxA-1akpA:
undetectable		 4xnxA-1akpA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1axd GLUTATHIONE
S-TRANSFERASE I

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		6 PHE A 160
ASP A 165
ALA A  93
VAL A  97
ASP A  96
SER A 162
 None
 1.32A 4xnxA-1axdA:
2.3		 4xnxA-1axdA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 176
ALA A 183
VAL A 184
SER A 177
GLY A 179
 None
 1.20A 4xnxA-1d1tA:
0.0		 4xnxA-1d1tA:
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.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 ASP A 426
ALA A 447
VAL A 446
GLY A 505
GLY A 423
 None
 1.21A 4xnxA-1d8cA:
undetectable		 4xnxA-1d8cA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 175
ALA A 182
VAL A 183
SER A 176
GLY A 178
 None
 1.23A 4xnxA-1ee2A:
undetectable		 4xnxA-1ee2A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ASP A 399
ALA A 245
VAL A 214
TYR A 215
GLY A 210
 None
 1.17A 4xnxA-1hrdA:
0.0		 4xnxA-1hrdA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		5 ASP A 202
ALA A 430
VAL A  47
TYR A  49
GLY A 334
 GOL  A1007 (-3.6A)
None
None
GOL  A1007 (-4.1A)
None
 1.16A 4xnxA-1itxA:
undetectable		 4xnxA-1itxA:
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 PHE A 244
ASP A 248
TYR A  73
GLY A 166
GLY A 273
 None
None
HPA  A 599 (-3.2A)
None
None
 1.01A 4xnxA-1jftA:
0.0		 4xnxA-1jftA:
19.09
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.
1jk0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 2

(Saccharomyces
cerevisiae) 		PF00268
(Ribonuc_red_sm) 		5 ASP B 219
ALA B  59
VAL B 130
TYR B 131
TYR B 127
 None
 1.27A 4xnxA-1jk0B:
1.4		 4xnxA-1jk0B:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7j PROTEIN YCIO

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC) 		5 ASP A 156
ALA A  39
GLY A 174
SER A 155
GLY A  37
 None
 1.24A 4xnxA-1k7jA:
undetectable		 4xnxA-1k7jA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l3w EP-CADHERIN

(Xenopus laevis) 		PF00028
(Cadherin) 		5 PHE A 113
ASP A 111
ALA A 193
VAL A 203
VAL A 130
 None
 1.15A 4xnxA-1l3wA:
undetectable		 4xnxA-1l3wA:
22.70
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.
1nvp TRANSCRIPTION
INITIATION FACTOR
IIA ALPHA CHAIN
TRANSCRIPTION
INITIATION FACTOR
IIA BETA CHAIN
TRANSCRIPTION
INITIATION FACTOR
IIA GAMMA CHAIN

(Homo sapiens) 		PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C)
PF03153
(TFIIA) 		5 ASP C 364
ALA D  47
TYR B  14
GLY C 356
VAL D  52
 None
 1.08A 4xnxA-1nvpC:
undetectable		 4xnxA-1nvpC:
9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogp SULFITE OXIDASE

(Arabidopsis
thaliana) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ALA A 290
VAL A 337
GLY A 293
VAL A 266
SER A 358
 None
 1.12A 4xnxA-1ogpA:
undetectable		 4xnxA-1ogpA:
20.86
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP2)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		5 ASP 2 170
ALA 1 256
VAL 1 257
TYR 1 267
GLY 3  63
 None
 0.94A 4xnxA-1r1a2:
undetectable		 4xnxA-1r1a2:
19.48
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 PHE A 270
ASP A 274
ALA A 234
GLY A 340
GLY A 268
 None
 1.12A 4xnxA-1s0uA:
undetectable		 4xnxA-1s0uA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 176
ALA A 183
VAL A 184
SER A 177
GLY A 179
 None
 1.24A 4xnxA-1u3tA:
undetectable		 4xnxA-1u3tA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 ALA A 112
GLY A 133
VAL A  79
SER A 105
GLY A 108
 None
SO4  A 505 (-4.0A)
None
None
None
 1.08A 4xnxA-1x3lA:
0.4		 4xnxA-1x3lA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 ASP A   8
VAL A  65
TYR A  68
SER A  49
GLY A  82
 None
 1.06A 4xnxA-2a9vA:
undetectable		 4xnxA-2a9vA:
17.16
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
HEAVY CHAIN

(Daboia
siamensis) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 ASP A 391
ALA A  86
GLY A 118
VAL A 126
GLY A  82
 None
 1.07A 4xnxA-2e3xA:
undetectable		 4xnxA-2e3xA:
19.89
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.
2eg5 XANTHOSINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		5 ASP A 240
ALA A 314
VAL A 317
TYR A 321
GLY A 354
 None
None
XTS  A 502 ( 4.9A)
XTS  A 502 (-4.6A)
None
 1.11A 4xnxA-2eg5A:
undetectable		 4xnxA-2eg5A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 PHE A 291
ALA A 284
VAL A 283
GLY A 100
GLY A 288
 None
 1.23A 4xnxA-2elcA:
undetectable		 4xnxA-2elcA:
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.
2gkd CALC

(Micromonospora
echinospora) 		no annotation 5 VAL A  46
ASP A  47
TYR A  54
GLY A  80
GLY A  51
 None
 1.26A 4xnxA-2gkdA:
undetectable		 4xnxA-2gkdA:
12.67
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A 231
VAL A 173
ASP A 212
GLY A 216
SER A 200
 None
 1.23A 4xnxA-2glxA:
undetectable		 4xnxA-2glxA:
22.37
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.
2kt1 PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT BETA

(Homo sapiens) 		no annotation 5 PHE A  70
ASP A  69
VAL A  54
VAL A  75
GLY A  72
 None
 1.22A 4xnxA-2kt1A:
undetectable		 4xnxA-2kt1A:
10.43
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.
2n47 SLR1183 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13649
(Methyltransf_25) 		5 ALA A  56
VAL A  57
ASP A  58
GLY A  97
SER A 100
 None
 1.22A 4xnxA-2n47A:
undetectable		 4xnxA-2n47A:
17.37
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.
2nxo HYPOTHETICAL PROTEIN
SCO4506

(Streptomyces
coelicolor) 		PF02621
(VitK2_biosynth) 		5 ASP A  98
ALA A 145
VAL A 102
TYR A 129
VAL A  92
 None
 1.11A 4xnxA-2nxoA:
undetectable		 4xnxA-2nxoA:
21.58
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.
2ool SENSOR PROTEIN

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 ASP A 126
ALA A  56
VAL A  47
GLY A 252
SER A 127
 None
 1.19A 4xnxA-2oolA:
undetectable		 4xnxA-2oolA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pce PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 100
ALA A 108
VAL A  36
SER A  50
GLY A  48
 None
 1.16A 4xnxA-2pceA:
undetectable		 4xnxA-2pceA:
21.67
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.
2rg2 CHOLOYLGLYCINE
HYDROLASE

(Clostridium
perfringens) 		PF02275
(CBAH) 		5 ASP A  69
ALA A 260
TYR A 278
GLY A   4
SER A 280
 None
 1.27A 4xnxA-2rg2A:
undetectable		 4xnxA-2rg2A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgy TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Paraburkholderia
phymatum) 		PF13377
(Peripla_BP_3) 		5 PHE A 271
ASP A 275
TYR A  99
GLY A 193
GLY A 300
 None
 1.17A 4xnxA-2rgyA:
undetectable		 4xnxA-2rgyA:
21.55
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.
2xgo XCOGT

(Xanthomonas
campestris) 		PF13432
(TPR_16)
PF13844
(Glyco_transf_41) 		5 ALA A 244
VAL A 266
ASP A 265
GLY A 295
GLY A 247
 None
 1.11A 4xnxA-2xgoA:
undetectable		 4xnxA-2xgoA:
20.62
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A 497
TYR A 485
GLY A 501
SER A 528
GLY A 509
 None
 1.27A 4xnxA-2y8nA:
undetectable		 4xnxA-2y8nA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		5 PHE A 238
ALA A 245
VAL A 246
GLY A  17
GLY A 241
 None
 0.92A 4xnxA-2yzwA:
undetectable		 4xnxA-2yzwA:
21.78
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 PHE A 471
ALA A 606
VAL A 605
VAL A 466
GLY A 610
 None
 1.09A 4xnxA-3aqpA:
undetectable		 4xnxA-3aqpA:
24.24
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		5 ALA A 118
TYR A 131
GLY A 319
SER A 181
GLY A 177
 None
 1.24A 4xnxA-3b9yA:
undetectable		 4xnxA-3b9yA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c2q UNCHARACTERIZED
CONSERVED PROTEIN

(Methanococcus
maripaludis) 		no annotation 5 ALA A 244
GLY A 321
VAL A 326
SER A 316
GLY A 240
 None
 1.11A 4xnxA-3c2qA:
1.8		 4xnxA-3c2qA:
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.
3doj DEHYDROGENASE-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 PHE A 184
ALA A 191
GLY A 219
SER A 185
GLY A 187
 None
 1.12A 4xnxA-3dojA:
undetectable		 4xnxA-3dojA:
20.33
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		5 ALA A 275
TYR A  35
GLY A 214
VAL A 261
SER A  57
 None
 1.06A 4xnxA-3e96A:
undetectable		 4xnxA-3e96A:
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.
3ec2 DNA REPLICATION
PROTEIN DNAC

(Aquifex
aeolicus) 		PF01695
(IstB_IS21) 		5 ASP A 198
TYR A 212
GLY A 151
SER A 201
GLY A 204
 None
 1.20A 4xnxA-3ec2A:
undetectable		 4xnxA-3ec2A:
15.24
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 PHE A  35
ASP A  33
ASP A  69
TYR A  65
VAL A  44
 None
 1.25A 4xnxA-3hmjA:
undetectable		 4xnxA-3hmjA:
13.87
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASP B 425
ALA B 365
VAL B 375
GLY B 407
SER B 423
 None
 1.11A 4xnxA-3jcmB:
undetectable		 4xnxA-3jcmB:
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 ALA A 135
TYR A 245
GLY A  56
VAL A 132
GLY A 130
 None
 1.13A 4xnxA-3kt4A:
undetectable		 4xnxA-3kt4A:
22.04
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.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 ASP A 331
ALA A 288
VAL A 290
VAL A 126
GLY A 285
 None
 1.27A 4xnxA-3lpdA:
undetectable		 4xnxA-3lpdA:
22.26
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.
3m45 CELL ADHESION
MOLECULE 2

(Mus musculus) 		PF07686
(V-set) 		5 ALA A  49
VAL A 100
GLY A 109
VAL A 129
SER A 104
 None
 1.17A 4xnxA-3m45A:
undetectable		 4xnxA-3m45A:
12.00
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.
3n1u HYDROLASE, HAD
SUPERFAMILY,
SUBFAMILY III A

(Legionella
pneumophila) 		PF08282
(Hydrolase_3) 		5 ALA A 138
VAL A 139
GLY A  33
VAL A  29
GLY A 117
 None
 1.19A 4xnxA-3n1uA:
undetectable		 4xnxA-3n1uA:
15.41
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 ALA A 242
VAL A 207
TYR A 171
GLY A 236
GLY A 202
 None
None
GOL  A   4 (-3.7A)
None
None
 1.13A 4xnxA-3n6zA:
undetectable		 4xnxA-3n6zA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3orj SUGAR-BINDING
PROTEIN

(Bacteroides
ovatus) 		no annotation 5 ALA A 216
VAL A 209
GLY A 189
SER A 212
GLY A 214
 None
 1.22A 4xnxA-3orjA:
undetectable		 4xnxA-3orjA:
23.20
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		5 ASP A 151
ALA A 392
VAL A  26
TYR A  28
GLY A 272
 None
 1.17A 4xnxA-3qokA:
undetectable		 4xnxA-3qokA:
21.78
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 PHE A 234
GLY A 139
VAL A 147
SER A 132
GLY A 232
 None
 1.24A 4xnxA-3r9uA:
undetectable		 4xnxA-3r9uA:
21.92
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 PHE A 146
VAL A 156
TYR A 159
SER A 145
GLY A 148
 None
None
NAP  A 601 (-4.7A)
NAP  A 601 (-3.3A)
None
 1.10A 4xnxA-3toxA:
undetectable		 4xnxA-3toxA:
20.70
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.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 PHE A  28
ALA A 203
GLY A  24
VAL A 205
GLY A 200
 PHE  A  28 ( 1.3A)
ALA  A 203 ( 0.0A)
GLY  A  24 ( 0.0A)
VAL  A 205 ( 0.6A)
GLY  A 200 ( 0.0A)
 1.25A 4xnxA-3ulkA:
undetectable		 4xnxA-3ulkA:
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 PHE A  93
VAL A 416
ASP A  33
TYR A 414
GLY A  58
 None
 1.18A 4xnxA-4a7kA:
undetectable		 4xnxA-4a7kA:
21.92
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 VAL A 416
ASP A  33
TYR A 414
TYR A  35
GLY A  58
 None
 1.06A 4xnxA-4a7kA:
undetectable		 4xnxA-4a7kA:
21.92
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.
4b9i CS6 FIMBRIAL SUBUNIT
A, CS6 FIMBRIAL
SUBUNIT B

(Escherichia
coli) 		no annotation 5 PHE A 102
ASP A  81
VAL A  42
GLY A  91
VAL A  51
 None
 1.20A 4xnxA-4b9iA:
undetectable		 4xnxA-4b9iA:
15.33
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.
4b9j CS6 FIMBRIAL SUBUNIT
A

(Escherichia
coli) 		no annotation 5 PHE A 102
ASP A  81
VAL A  42
GLY A  91
VAL A  51
 None
 1.21A 4xnxA-4b9jA:
undetectable		 4xnxA-4b9jA:
15.45
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A  16
TYR A  13
GLY A  44
SER A  20
GLY A  24
 None
 1.22A 4xnxA-4cw4A:
undetectable		 4xnxA-4cw4A:
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 ASP A  88
ALA A  37
GLY A  68
SER A  87
GLY A  85
 PO4  A 300 (-2.9A)
None
None
None
None
 1.26A 4xnxA-4ecfA:
undetectable		 4xnxA-4ecfA:
18.38
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.
4exl PHOSPHATE-BINDING
PROTEIN PSTS 1

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 ASP A  86
ALA A  35
GLY A  66
SER A  85
GLY A  83
 None
 1.18A 4xnxA-4exlA:
undetectable		 4xnxA-4exlA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fkm SIMILAR TO FERRIC
HYDROXAMATE RECEPTOR
1

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 ALA A 275
VAL A 273
ASP A 274
GLY A 198
GLY A 276
 MLY  A 248 ( 3.9A)
MLY  A 272 ( 2.8A)
MLY  A  79 ( 3.8A)
None
None
 1.19A 4xnxA-4fkmA:
undetectable		 4xnxA-4fkmA:
19.84
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.
4hte NICKING ENZYME

(Staphylococcus
aureus) 		no annotation 5 ASP A 397
ALA A 455
TYR A 462
GLY A 394
SER A 402
 None
 1.26A 4xnxA-4hteA:
undetectable		 4xnxA-4hteA:
19.89
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.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		5 TYR A  73
GLY A 190
VAL A 176
SER A  38
GLY A  41
 None
OLA  A 607 ( 4.1A)
None
None
None
 1.14A 4xnxA-4ikvA:
2.3		 4xnxA-4ikvA:
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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		5 ALA A 162
VAL A  16
GLY A 136
VAL A 172
GLY A 164
 None
 1.19A 4xnxA-4k5rA:
undetectable		 4xnxA-4k5rA:
22.37
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.
4nre ARACHIDONATE
15-LIPOXYGENASE B

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 PHE A 547
ASP A 459
ALA A 554
VAL A 556
GLY A 477
 None
None
GOL  A 718 (-2.9A)
None
None
 1.24A 4xnxA-4nreA:
2.1		 4xnxA-4nreA:
23.38
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.
4ntw NEUROTOXIN
MITTX-ALPHA

(Micrurus tener) 		PF00014
(Kunitz_BPTI) 		5 ASP B  42
ALA B  19
VAL B  21
TYR B  38
GLY B  18
 None
 1.17A 4xnxA-4ntwB:
undetectable		 4xnxA-4ntwB:
8.03
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.
4o5a LACI FAMILY
TRANSCRIPTION
REGULATOR

(Bifidobacterium
animalis) 		PF13377
(Peripla_BP_3) 		5 ALA A 258
VAL A 256
GLY A 196
VAL A 194
SER A 232
 None
 1.16A 4xnxA-4o5aA:
undetectable		 4xnxA-4o5aA:
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.
4oby ARGININE--TRNA
LIGASE

(Escherichia
coli) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 ASP A 271
ALA A 350
TYR A 357
GLY A 276
VAL A 287
 None
 1.09A 4xnxA-4obyA:
3.6		 4xnxA-4obyA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rtb HYDG PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 ALA A  64
VAL A  67
TYR A  72
SER A 322
GLY A 320
 None
 1.21A 4xnxA-4rtbA:
undetectable		 4xnxA-4rtbA:
21.78
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.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		5 ALA A 570
VAL A 577
TYR A 610
GLY A 846
SER A 697
 None
 0.85A 4xnxA-4v36A:
undetectable		 4xnxA-4v36A:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		11 PHE A  43
ASP A  46
ALA A 117
VAL A 120
ASP A 121
TYR A 123
TYR A 124
GLY A 322
VAL A 327
SER A 421
GLY A 425
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
41U  A 605 ( 3.7A)
41U  A 605 (-4.2A)
41U  A 605 ( 4.2A)
None
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
None
NA  A 602 ( 2.4A)
41U  A 605 ( 3.7A)
 0.31A 4xnxA-4xnuA:
63.2		 4xnxA-4xnuA:
98.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		6 PHE A  43
ASP A  46
ALA A 428
GLY A 322
SER A 421
GLY A 424
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
None
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
None
 1.28A 4xnxA-4xnuA:
63.2		 4xnxA-4xnuA:
98.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		7 PHE A  43
ASP A  46
TYR A 124
GLY A 322
VAL A 327
SER A 421
GLY A 424
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
None
NA  A 602 ( 2.4A)
None
 0.92A 4xnxA-4xnuA:
63.2		 4xnxA-4xnuA:
98.69
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 PHE A1005
ALA A1081
ASP A1084
GLY A 913
SER A1154
 None
 1.22A 4xnxA-4yswA:
undetectable		 4xnxA-4yswA:
18.57
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.
5b1q U14 PROTEIN

(Human
betaherpesvirus
6B) 		PF04637
(Herpes_pp85) 		5 ALA A 438
VAL A 439
TYR A 436
GLY A 275
SER A 432
 None
 1.16A 4xnxA-5b1qA:
undetectable		 4xnxA-5b1qA:
22.77
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.
5b3h PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 ASP B 484
ALA B 241
VAL B 490
GLY B 481
GLY B 244
 None
 1.28A 4xnxA-5b3hB:
undetectable		 4xnxA-5b3hB:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ASP A 359
ALA A 323
VAL A 364
TYR A 366
GLY A 309
 None
 1.07A 4xnxA-5df0A:
undetectable		 4xnxA-5df0A:
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
 None
 1.07A 4xnxA-5epgA:
undetectable		 4xnxA-5epgA:
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.
5fur TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 2

(Homo sapiens) 		PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C)
PF03153
(TFIIA) 		5 ASP C 364
ALA D  47
TYR B  14
GLY C 356
VAL D  52
 None
 1.13A 4xnxA-5furC:
undetectable		 4xnxA-5furC:
6.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		8 ASP A  98
ALA A 169
TYR A 175
TYR A 176
GLY A 338
VAL A 343
SER A 438
GLY A 442
 None
 0.53A 4xnxA-5i6zA:
53.9		 4xnxA-5i6zA:
53.43
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ASP A 398
ALA A 248
VAL A 217
TYR A 218
GLY A 213
 None
 1.21A 4xnxA-5ijzA:
undetectable		 4xnxA-5ijzA:
23.06
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.
5ipw OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 ASP A 557
VAL A 582
ASP A 583
TYR A 586
GLY A 550
 None
 1.17A 4xnxA-5ipwA:
undetectable		 4xnxA-5ipwA:
22.47
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.
5koj NITROGENASE PROTEIN
ALPHA CHAIN

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro) 		5 ALA A  81
TYR A 245
GLY A 372
SER A 294
GLY A  82
 HCA  A 501 (-3.3A)
ICS  A 502 (-4.1A)
ICS  A 502 (-3.5A)
ICS  A 502 ( 3.7A)
None
 1.27A 4xnxA-5kojA:
undetectable		 4xnxA-5kojA:
21.31
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA) 		5 ASP A  39
TYR A  93
VAL A 260
SER A  43
GLY A  45
 None
 1.25A 4xnxA-5kzmA:
undetectable		 4xnxA-5kzmA:
19.66
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.
5m4s TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT
2,TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT
1,TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1

(Homo sapiens) 		no annotation 5 ASP A 198
ALA A  47
VAL A 119
GLY A 190
VAL A  52
 None
 1.22A 4xnxA-5m4sA:
undetectable		 4xnxA-5m4sA:
10.06
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.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PHE A 184
ALA A 440
GLY A 163
VAL A 427
GLY A 437
 None
 1.16A 4xnxA-5macA:
undetectable		 4xnxA-5macA:
24.20
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.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens) 		no annotation 5 PHE A 371
VAL A 386
TYR A 382
VAL A 185
GLY A 380
 None
None
GOL  A 506 ( 4.5A)
None
None
 1.26A 4xnxA-5mc5A:
undetectable		 4xnxA-5mc5A:
11.28
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN
2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 PHE C 252
ALA B 103
TYR C 386
VAL B 101
GLY C 249
 None
 1.03A 4xnxA-5mg5C:
undetectable		 4xnxA-5mg5C:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 PHE A 390
VAL A 265
GLY A 327
VAL A 288
SER A 394
 None
 0.82A 4xnxA-5nd1A:
undetectable		 4xnxA-5nd1A:
10.59
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.
5o6b ATP-DEPENDENT DNA
HELICASE PIF1

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 379
VAL A 340
ASP A 341
SER A 344
GLY A 377
 None
None
MG  A1003 ( 3.9A)
None
None
 1.27A 4xnxA-5o6bA:
undetectable		 4xnxA-5o6bA:
10.16
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 PHE A 188
ALA A 278
TYR A 258
VAL A 309
GLY A 300
 None
3UK  A 900 ( 2.9A)
None
3UK  A 900 ( 4.1A)
3UK  A 900 (-3.8A)
 1.24A 4xnxA-5oe5A:
undetectable		 4xnxA-5oe5A:
21.76
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ALA A 330
GLY A 792
VAL A  69
SER A 325
GLY A 328
 None
 1.26A 4xnxA-5t9gA:
undetectable		 4xnxA-5t9gA:
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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		5 PHE A 183
ASP A 134
GLY A  52
SER A 132
GLY A 179
 None
 1.25A 4xnxA-5visA:
undetectable		 4xnxA-5visA:
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ALA A 106
VAL A 107
GLY A 119
VAL A 442
GLY A 103
 None
 1.13A 4xnxA-5w0sA:
undetectable		 4xnxA-5w0sA:
22.86
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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ASP A  10
ALA A 246
GLY A 414
VAL A  14
GLY A 251
 None
 1.26A 4xnxA-5wi5A:
undetectable		 4xnxA-5wi5A:
23.24
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.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 5 ALA A 591
VAL A 594
GLY A 551
SER A 637
GLY A 641
 None
 0.96A 4xnxA-5ws4A:
undetectable		 4xnxA-5ws4A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 ASP A 405
ALA A 236
VAL A 202
TYR A 203
GLY A 198
 None
 1.27A 4xnxA-5xviA:
undetectable		 4xnxA-5xviA:
9.87
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.
5y0m -

(-) 		no annotation 5 ASP A 158
ALA A 181
TYR A  65
GLY A 117
GLY A 108
 None
 1.18A 4xnxA-5y0mA:
undetectable		 4xnxA-5y0mA:
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.
6c33 5'-3' EXONUCLEASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ASP A   9
ALA A 119
ASP A  61
GLY A 129
GLY A 118
 MN  A 401 ( 4.1A)
None
None
None
None
 1.11A 4xnxA-6c33A:
undetectable		 4xnxA-6c33A:
10.29
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 ALA A 314
VAL A 315
GLY A 189
VAL A 184
GLY A 176
 None
 1.20A 4xnxA-6em0A:
undetectable		 4xnxA-6em0A:
10.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 PHE A 734
VAL A 643
TYR A 644
GLY A 698
GLY A 733
 None
 1.02A 4xnxA-6eoqA:
undetectable		 4xnxA-6eoqA:
8.38