SIMILAR PATTERNS OF AMINO ACIDS FOR 5ZW4_A_SAMA302

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.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		5 GLY A  15
ALA A  28
TYR A  26
ALA A  35
ALA A   8
 None
 1.05A 5zw4A-1agxA:
undetectable		 5zw4A-1agxA:
21.05
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.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		5 PRO D  24
GLY D   6
ALA D  17
ALA D 375
ALA D 174
 None
 1.05A 5zw4A-1dkgD:
undetectable		 5zw4A-1dkgD:
21.83
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.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)

(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9)
PF02256
(Fe_hyd_SSU) 		5 PRO A 319
GLY A 292
ALA D  61
ALA A 149
ALA A 305
 None
None
None
CYN  A   7 ( 3.4A)
None
 1.04A 5zw4A-1e08A:
undetectable		 5zw4A-1e08A:
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.
1ekb ENTEROPEPTIDASE

(Bos taurus) 		PF00089
(Trypsin) 		5 GLY B 196
ALA B  44
ALA B 229
ALA B  55
ALA B  56
 None
 1.04A 5zw4A-1ekbB:
undetectable		 5zw4A-1ekbB:
21.32
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		5 ILE A 527
GLY A 492
ALA A 496
ALA A 507
ALA A 506
 None
 0.91A 5zw4A-1fchA:
undetectable		 5zw4A-1fchA:
22.01
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 GLY A 794
ASN A 736
ALA A 792
ALA A 774
ALA A 777
 FMN  A1030 (-3.5A)
FMN  A1030 (-3.6A)
None
None
None
 1.05A 5zw4A-1h7wA:
undetectable		 5zw4A-1h7wA:
11.79
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.
1iub FUCOSE-SPECIFIC
LECTIN

(Aleuria
aurantia) 		PF07938
(Fungal_lectin) 		5 ILE A 266
GLY A 169
ALA A 215
ALA A 116
ALA A 117
 None
 1.04A 5zw4A-1iubA:
undetectable		 5zw4A-1iubA:
21.81
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 TYR A 107
ALA A  77
ALA A  93
ALA A  92
PHE A  64
 None
 1.02A 5zw4A-1llaA:
undetectable		 5zw4A-1llaA:
15.92
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.
1m5s FORMYLMETHANOFURAN--
TETRAHYDROMETHANOPTE
RIN
FORMYLTRANSFERASE

(Methanosarcina
barkeri) 		PF01913
(FTR)
PF02741
(FTR_C) 		5 ILE A 249
GLY A  55
ALA A  40
ALA A  54
ALA A  44
 None
 1.05A 5zw4A-1m5sA:
undetectable		 5zw4A-1m5sA:
22.85
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
60 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		5 GLY A 455
ASN A 452
ALA A 365
ALA A 427
PHE A 436
 None
 1.02A 5zw4A-1pbyA:
undetectable		 5zw4A-1pbyA:
19.69
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.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		6 GLU A  32
GLY A  80
ALA A 294
ASN A  99
ALA A  72
ALA A  73
 None
 1.13A 5zw4A-1pc3A:
undetectable		 5zw4A-1pc3A:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 ILE A 460
GLY A 647
ALA A 462
ALA A 660
ALA A 657
 None
FAD  A 701 (-3.4A)
None
FAD  A 701 ( 3.9A)
FAD  A 701 (-3.1A)
 1.07A 5zw4A-1ps9A:
5.2		 5zw4A-1ps9A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1re5 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Pseudomonas
putida) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 103
TYR A  99
ALA A 195
ALA A 201
ALA A 200
 None
 1.04A 5zw4A-1re5A:
undetectable		 5zw4A-1re5A:
19.15
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 GLU A  85
GLY A  87
TYR A  92
ASN A 113
ALA A 140
ALA A 164
 SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
None
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
 0.59A 5zw4A-1susA:
26.0		 5zw4A-1susA:
26.91
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 PRO A 195
GLY A 129
ALA A 133
ALA A 168
ALA A 167
 None
None
None
TMP  A 500 (-3.5A)
TMP  A 500 ( 4.2A)
 0.82A 5zw4A-1vtkA:
undetectable		 5zw4A-1vtkA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a87 THIOREDOXIN
REDUCTASE

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 ILE A 119
GLY A 287
ALA A 121
ALA A 300
ALA A 297
 None
FAD  A 348 (-3.2A)
None
FAD  A 348 ( 3.7A)
FAD  A 348 (-3.2A)
 1.03A 5zw4A-2a87A:
3.1		 5zw4A-2a87A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 MET A  86
GLY A 110
TYR A 115
ALA A 163
ALA A 186
 SAM  A 501 (-4.2A)
SAM  A 501 (-3.4A)
None
SAM  A 501 (-3.5A)
SAM  A 501 (-3.7A)
 0.72A 5zw4A-2avdA:
24.7		 5zw4A-2avdA:
28.24
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		5 ILE A 564
GLY A 529
ALA A 533
ALA A 544
ALA A 543
 None
 0.98A 5zw4A-2c0lA:
undetectable		 5zw4A-2c0lA:
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.
2c7l PHYCOERYTHROCYANIN
ALPHA CHAIN

(Mastigocladus
laminosus) 		PF00502
(Phycobilisome) 		5 ILE A 158
ASN A 139
ALA A  43
ALA A 150
ALA A 147
 None
 1.06A 5zw4A-2c7lA:
undetectable		 5zw4A-2c7lA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 GLU A 424
ALA A 390
ALA A 408
ALA A 374
PHE A 410
 None
 0.96A 5zw4A-2csuA:
6.4		 5zw4A-2csuA:
18.58
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 PRO C 396
ALA C 271
ALA C 391
ALA C 388
PHE C 306
 None
 0.98A 5zw4A-2d6fC:
undetectable		 5zw4A-2d6fC:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		8 PRO A  36
ILE A  37
GLU A  60
GLY A  62
ALA A  64
TYR A  67
ALA A 114
PHE A 142
 None
 0.70A 5zw4A-2gpyA:
26.8		 5zw4A-2gpyA:
49.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		7 PRO A  36
ILE A  37
MET A  38
GLU A  60
GLY A  62
ALA A  64
TYR A  67
 None
 0.68A 5zw4A-2gpyA:
26.8		 5zw4A-2gpyA:
49.79
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.
2jep XYLOGLUCANASE

(Paenibacillus
pabuli) 		PF00150
(Cellulase) 		5 PRO A 225
ILE A 261
MET A 260
GLY A 322
ALA A 263
 None
 1.06A 5zw4A-2jepA:
2.1		 5zw4A-2jepA:
18.69
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.
2po3 4-DEHYDRASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A1094
MET A1095
ALA A1141
ALA A1086
ALA A1191
 None
 1.02A 5zw4A-2po3A:
3.4		 5zw4A-2po3A:
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 412
GLY A  52
ALA A  50
ALA A  68
ALA A  69
 None
 1.05A 5zw4A-2q5oA:
3.1		 5zw4A-2q5oA:
17.72
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		5 ILE A 650
GLY A 714
ALA A 711
ALA A 716
ALA A 694
 None
 1.07A 5zw4A-2qzaA:
undetectable		 5zw4A-2qzaA:
17.31
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 GLY A 379
ALA A 376
ALA A 339
ALA A 338
PHE A 385
 None
 0.88A 5zw4A-2wskA:
undetectable		 5zw4A-2wskA:
17.30
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.
3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF01336
(tRNA_anti-codon)
PF08489
(DUF1743) 		5 ILE A 119
GLY A 144
ASN A  46
ALA A 147
ALA A 109
 None
 1.07A 5zw4A-3au7A:
undetectable		 5zw4A-3au7A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 GLY A  48
TYR A  55
ALA A  10
ALA A 101
PHE A 117
 AMP  A 501 (-3.3A)
None
AMP  A 501 (-3.4A)
None
AMP  A 501 (-3.5A)
 1.03A 5zw4A-3b1rA:
3.3		 5zw4A-3b1rA:
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		5 PRO A 327
GLY A 290
ALA A 273
ALA A 242
ALA A 267
 None
 1.02A 5zw4A-3b9yA:
undetectable		 5zw4A-3b9yA:
19.59
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLU A  76
GLY A  78
TYR A  83
ALA A 131
ALA A 155
 SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
None
SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
 0.71A 5zw4A-3c3yA:
27.1		 5zw4A-3c3yA:
26.14
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 GLU A  66
GLY A  68
TYR A  73
ALA A 121
ALA A 144
 SAH  A 301 ( 4.4A)
SAH  A 301 (-3.7A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
 0.43A 5zw4A-3cbgA:
26.1		 5zw4A-3cbgA:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 ILE A 160
GLY A 157
ALA A 170
ALA A 145
PHE A 182
 None
 1.06A 5zw4A-3cboA:
undetectable		 5zw4A-3cboA:
17.69
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.
3djd FRUCTOSYL AMINE:
OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 ALA A 163
ALA A  14
ALA A 168
ALA A 171
PHE A 178
 None
 0.97A 5zw4A-3djdA:
2.6		 5zw4A-3djdA:
18.79
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.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 PRO A 611
ILE A 609
ALA A 620
ASN A 618
ALA A 683
 None
 1.00A 5zw4A-3dkoA:
undetectable		 5zw4A-3dkoA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLU A  64
GLY A  66
TYR A  71
ALA A 119
ALA A 141
 None
 0.66A 5zw4A-3dulA:
23.2		 5zw4A-3dulA:
32.08
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.
3hs0 COBRA VENOM FACTOR
COBRA VENOM FACTOR

(Naja kaouthia;
Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF01759
(NTR)
PF07677
(A2M_recep) 		5 GLU A 236
GLY A 237
TYR C1389
ALA A 227
ALA A 239
 None
 1.03A 5zw4A-3hs0A:
undetectable		 5zw4A-3hs0A:
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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		6 ILE A 224
ALA A 232
TYR A 234
ALA A 283
ALA A 286
PHE A 307
 None
ATP  A 900 ( 4.0A)
None
None
ATP  A 900 (-3.6A)
None
 1.49A 5zw4A-3iq0A:
4.3		 5zw4A-3iq0A:
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.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		5 ILE A  58
GLU A  81
GLY A  83
TYR A  88
ALA A 149
 SAH  A 300 ( 4.6A)
SAH  A 300 ( 4.7A)
SAH  A 300 (-3.4A)
None
SAH  A 300 ( 3.7A)
 0.98A 5zw4A-3lbfA:
12.5		 5zw4A-3lbfA:
27.80
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.
3mkh NITROALKANE OXIDASE

(Podospora
anserina) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A  80
ALA A 362
ALA A 327
ALA A 326
PHE A 358
 None
 0.98A 5zw4A-3mkhA:
undetectable		 5zw4A-3mkhA:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		6 GLU A  77
GLY A  79
ASN A 104
ALA A 131
ALA A 153
PHE A 158
 SO4  A 233 (-4.0A)
None
None
None
None
None
 0.90A 5zw4A-3ntvA:
29.6		 5zw4A-3ntvA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		8 PRO A  53
ILE A  54
GLU A  77
GLY A  79
ALA A  81
TYR A  84
ASN A 104
ALA A 131
 None
SO4  A 233 (-3.7A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-3.6A)
SO4  A 233 (-4.9A)
None
None
 0.67A 5zw4A-3ntvA:
29.6		 5zw4A-3ntvA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		8 PRO A  53
ILE A  54
GLU A  77
GLY A  79
TYR A  84
ASN A 104
ALA A 131
PHE A 158
 None
SO4  A 233 (-3.7A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
None
None
 0.68A 5zw4A-3ntvA:
29.6		 5zw4A-3ntvA:
36.10
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.
3pzl AGMATINE
UREOHYDROLASE

(Thermoplasma
volcanium) 		PF00491
(Arginase) 		5 ILE A 294
TYR A  37
ALA A  57
ALA A 286
PHE A 273
 None
 0.98A 5zw4A-3pzlA:
4.1		 5zw4A-3pzlA:
21.38
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.
3q4h PE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		no annotation 5 GLU A  15
GLY A  77
ALA A  79
TYR A  83
ALA A  72
 None
 0.84A 5zw4A-3q4hA:
undetectable		 5zw4A-3q4hA:
18.05
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.
3qkc GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Antirrhinum
majus) 		no annotation 5 MET B  77
GLY B 187
ALA B  49
ALA B 192
ALA B  67
 None
 0.96A 5zw4A-3qkcB:
undetectable		 5zw4A-3qkcB:
22.54
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.
3s4t AMIDOHYDROLASE 2

(Polaromonas sp.
JS666) 		PF04909
(Amidohydro_2) 		5 GLU A  15
ALA A  77
ALA A  12
ALA A  63
ALA A  61
 None
 0.99A 5zw4A-3s4tA:
undetectable		 5zw4A-3s4tA:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		5 GLU A  67
GLY A  69
TYR A  74
ALA A 122
ALA A 142
 None
 0.57A 5zw4A-3tfwA:
24.7		 5zw4A-3tfwA:
31.75
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.
3tg9 PENICILLIN-BINDING
PROTEIN

(Bacillus
halodurans) 		PF00144
(Beta-lactamase) 		5 ILE A   8
GLY A  16
ALA A  18
ALA A 200
ALA A 312
 None
 1.04A 5zw4A-3tg9A:
undetectable		 5zw4A-3tg9A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 ILE A 249
MET A 248
GLY A 305
ALA A  72
PHE A  78
 None
 1.05A 5zw4A-3u4gA:
undetectable		 5zw4A-3u4gA:
23.34
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 ALA A 200
ASN A 198
ALA A 188
ALA A 221
ALA A 222
 None
 0.97A 5zw4A-3vglA:
undetectable		 5zw4A-3vglA:
21.57
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		6 ILE A  62
GLY A 302
ALA A 306
ALA A 295
ALA A 109
ALA A 110
 None
 1.48A 5zw4A-3vglA:
undetectable		 5zw4A-3vglA:
21.57
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		6 ILE A 520
GLY A 516
ALA A 518
ASN A 169
ALA A 163
ALA A 164
 None
FRU  A 604 ( 4.7A)
None
None
None
None
 1.34A 5zw4A-3vssA:
undetectable		 5zw4A-3vssA:
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.
3w8j PROTEIN
DISULFIDE-ISOMERASE
A6
C-TERMINAL PEPTIDE
FROM PEROXIREDOXIN-4

(Homo sapiens;
Mus musculus) 		PF00085
(Thioredoxin)
PF10417
(1-cysPrx_C) 		5 PRO A  32
GLY A  90
ALA C   4
ALA A  83
PHE A  98
 None
 1.04A 5zw4A-3w8jA:
undetectable		 5zw4A-3w8jA:
21.81
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		5 PRO A 763
GLU A 796
ALA A 761
ASN A 759
ALA A 782
 None
 1.01A 5zw4A-3zdrA:
undetectable		 5zw4A-3zdrA:
19.91
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.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 PRO A 390
ALA A 394
ASN A 149
ALA A 140
ALA A 160
 None
 1.06A 5zw4A-3zlbA:
4.0		 5zw4A-3zlbA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b7l FILAMIN-B

(Homo sapiens) 		PF00307
(CH)
PF00630
(Filamin) 		5 GLY A 285
ASN A 312
ALA A 334
ALA A 284
ALA A 257
 None
 0.92A 5zw4A-4b7lA:
undetectable		 5zw4A-4b7lA:
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		5 GLU A  52
GLY A  50
ALA A  48
ALA A  20
PHE A  31
 None
 1.06A 5zw4A-4cngA:
undetectable		 5zw4A-4cngA:
22.10
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.
4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 188
ALA A  28
ALA A 221
ALA A  39
ALA A  40
 None
 1.05A 5zw4A-4dgjA:
undetectable		 5zw4A-4dgjA:
20.65
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.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		5 ALA A  31
ALA A 287
ALA A  38
ALA A 275
PHE A 280
 None
 1.05A 5zw4A-4dnhA:
undetectable		 5zw4A-4dnhA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 ILE A  71
GLY A  35
ALA A  44
ALA A 109
ALA A  57
 None
 1.01A 5zw4A-4dqxA:
9.4		 5zw4A-4dqxA:
21.05
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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 ILE A  45
GLY A 293
ALA A 289
ALA A 298
ALA A  52
 None
 1.06A 5zw4A-4ex9A:
undetectable		 5zw4A-4ex9A:
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.
4ffk SUPEROXIDE DISMUTASE

(Acidilobus
saccharovorans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 PRO A 173
ILE A 145
GLY A  87
ALA A  55
PHE A  82
 None
 1.04A 5zw4A-4ffkA:
undetectable		 5zw4A-4ffkA:
24.31
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.
4glf RSFP

(uncultured
bacterium) 		PF01048
(PNP_UDP_1) 		5 ILE A  16
GLY A  89
ALA A  14
ASN A  12
ALA A  84
 None
 1.01A 5zw4A-4glfA:
undetectable		 5zw4A-4glfA:
19.00
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.
4jnq THIOREDOXIN
REDUCTASE

(Brucella
melitensis) 		PF07992
(Pyr_redox_2) 		5 ILE A 110
GLY A 285
ALA A 112
ALA A 298
ALA A 295
 None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.6A)
FDA  A 401 (-3.4A)
 1.05A 5zw4A-4jnqA:
3.2		 5zw4A-4jnqA:
18.49
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.
4jqp 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Paraburkholderia
phymatum) 		PF04166
(PdxA) 		5 ILE A 317
ALA A 314
ALA A 139
ALA A  26
ALA A  25
 None
 1.07A 5zw4A-4jqpA:
undetectable		 5zw4A-4jqpA:
22.61
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		5 ILE A  68
ALA A  58
ALA A 134
ALA A 148
PHE A 145
 None
 0.89A 5zw4A-4kv7A:
4.7		 5zw4A-4kv7A:
19.43
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 ILE A 352
GLU A 594
GLY A 593
ALA A 589
ALA A 596
 None
 0.87A 5zw4A-4lglA:
undetectable		 5zw4A-4lglA:
12.89
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 ILE A 730
GLY A 734
ALA A 139
ALA A 130
ALA A 519
 None
 1.02A 5zw4A-4lglA:
undetectable		 5zw4A-4lglA:
12.89
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 PRO A 199
ILE A 202
GLY A 170
ALA A 775
ALA A 776
 None
 1.06A 5zw4A-4lglA:
undetectable		 5zw4A-4lglA:
12.89
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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		5 PRO A 306
ILE A 307
GLY A 278
ALA A 276
ALA A 255
 None
 1.05A 5zw4A-4mcaA:
3.5		 5zw4A-4mcaA:
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ILE A 144
GLY A 162
ALA A 160
ALA A 171
ALA A 172
 None
 0.89A 5zw4A-4mo9A:
undetectable		 5zw4A-4mo9A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 PRO A 161
ILE A 162
ASN A  42
ALA A 192
PHE A 202
 None
 1.08A 5zw4A-4pfwA:
undetectable		 5zw4A-4pfwA:
16.79
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 ILE A  13
GLY A  20
ALA A  17
ALA A 143
PHE A  95
 None
 1.03A 5zw4A-4qiqA:
undetectable		 5zw4A-4qiqA:
17.93
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.
4qrj PUTATIVE
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
uniformis) 		PF10282
(Lactonase) 		5 PRO A 317
ALA A 271
ALA A 284
ALA A 294
PHE A 296
 None
 0.92A 5zw4A-4qrjA:
undetectable		 5zw4A-4qrjA:
20.61
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.
4x9n L-ALPHA-GLYCEROPHOSP
HATE OXIDASE

(Mycoplasma
pneumoniae) 		PF01266
(DAO) 		5 GLY A  11
ALA A  39
TYR A  37
ALA A 208
ALA A  17
 FAD  A 401 ( 4.6A)
None
None
None
None
 1.01A 5zw4A-4x9nA:
3.3		 5zw4A-4x9nA:
20.67
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.
4xgh CITRATE SYNTHASE

(Burkholderia
thailandensis) 		PF00285
(Citrate_synt) 		5 ILE A 138
GLY A 144
ALA A 141
ALA A 258
ALA A 259
 None
 0.92A 5zw4A-4xghA:
undetectable		 5zw4A-4xghA:
19.26
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLU A  71
GLY A  73
TYR A  78
ALA A 127
ALA A 145
 SAM  A1001 ( 4.4A)
SAM  A1001 (-3.3A)
None
SAM  A1001 (-3.4A)
SAM  A1001 ( 3.5A)
 0.51A 5zw4A-4ymgA:
26.3		 5zw4A-4ymgA:
26.69
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.
4ys6 PUTATIVE
SOLUTE-BINDING
COMPONENT OF ABC
TRANSPORTER

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ILE A 208
GLY A 231
ALA A 235
TYR A 240
ALA A 200
 None
 1.02A 5zw4A-4ys6A:
undetectable		 5zw4A-4ys6A:
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		6 ILE A1257
GLY A1303
ALA A1301
TYR A1261
ALA A1372
ALA A1367
 None
 1.35A 5zw4A-5a31A:
undetectable		 5zw4A-5a31A:
9.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8z NEUTROPHIL ELASTASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 196
ALA A  44
ALA A 229
ALA A  55
ALA A  56
 None
 1.07A 5zw4A-5a8zA:
undetectable		 5zw4A-5a8zA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e1v POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		no annotation 5 GLU B 259
ASN B 262
ALA B 269
ALA B 230
PHE B 228
 None
 1.06A 5zw4A-5e1vB:
undetectable		 5zw4A-5e1vB:
21.00
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.
5edl PUTATIVE
HMP/THIAMINE
PERMEASE PROTEIN
YKOE

(Bacillus
subtilis) 		PF09819
(ABC_cobalt) 		5 ILE A  91
ALA A  57
ALA A  99
ALA A 119
PHE A 103
 VIB  A 201 ( 4.2A)
None
None
None
None
 0.89A 5zw4A-5edlA:
undetectable		 5zw4A-5edlA:
25.51
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		6 ILE A  67
MET A  66
GLY A  80
ALA A 105
ALA A  84
ALA A 110
 None
 1.41A 5zw4A-5gz1A:
undetectable		 5zw4A-5gz1A:
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.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		5 ILE A 214
GLU A 222
GLY A 221
ALA A 218
ASN A 346
 None
 1.06A 5zw4A-5it0A:
undetectable		 5zw4A-5it0A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 GLU A  99
GLY A 101
TYR A 106
ASN A 127
ALA A 154
ALA A 178
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
None
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
 0.67A 5zw4A-5kvaA:
26.1		 5zw4A-5kvaA:
25.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 GLU A  65
GLY A  67
TYR A  72
ALA A 120
ALA A 143
 SAH  A1001 ( 4.4A)
SAH  A1001 (-3.5A)
None
SAH  A1001 (-3.4A)
SAH  A1001 (-3.7A)
 0.64A 5zw4A-5logA:
26.7		 5zw4A-5logA:
31.43
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 MET C 176
GLY C 346
ALA C 186
TYR C 179
ALA C 210
 None
 1.07A 5zw4A-5mg5C:
undetectable		 5zw4A-5mg5C:
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 ILE A 312
GLY A 303
ALA A 377
ALA A 401
PHE A 305
 None
 1.05A 5zw4A-5mqpA:
undetectable		 5zw4A-5mqpA:
16.11
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 GLU A  63
GLY A  65
TYR A  70
ALA A 118
ALA A 140
 SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
None
SAM  A 306 (-3.5A)
SAM  A 306 (-3.6A)
 0.47A 5zw4A-5n5dA:
25.0		 5zw4A-5n5dA:
28.93
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 GLY A 470
ALA A 467
ALA A 504
ALA A 472
ALA A 485
 None
 1.04A 5zw4A-5tr1A:
undetectable		 5zw4A-5tr1A:
14.58
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		6 ILE A 431
GLY A 470
ALA A 434
ALA A 504
ALA A 472
ALA A 485
 None
 1.18A 5zw4A-5tr1A:
undetectable		 5zw4A-5tr1A:
14.58
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.
5uth THIOREDOXIN
REDUCTASE

(Mycolicibacterium
smegmatis) 		PF07992
(Pyr_redox_2) 		5 ILE A 111
GLY A 279
ALA A 113
ALA A 292
ALA A 289
 None
FAD  A 400 (-3.2A)
None
FAD  A 400 (-3.4A)
FAD  A 400 (-3.4A)
 1.08A 5zw4A-5uthA:
3.5		 5zw4A-5uthA:
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 5 GLU A 553
GLY A 592
ALA A 548
ALA A 577
ALA A 565
 None
 0.83A 5zw4A-5xb7A:
undetectable		 5zw4A-5xb7A:
15.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 7 ILE A  65
GLU A  60
GLY A  62
ALA A 114
ALA A 134
ALA A 135
PHE A 142
 None
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
SAM  A 302 (-4.8A)
 1.41A 5zw4A-5zw4A:
41.4		 5zw4A-5zw4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 12 PRO A  36
ILE A  37
MET A  38
GLU A  60
GLY A  62
ALA A  64
TYR A  67
ASN A  87
ALA A 114
ALA A 134
ALA A 135
PHE A 142
 U  D  34 ( 4.2A)
SAM  A 302 (-4.3A)
None
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
None
None
SAM  A 302 (-3.7A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
SAM  A 302 (-4.8A)
 0.01A 5zw4A-5zw4A:
41.4		 5zw4A-5zw4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 MET A 335
GLY A 317
TYR A 314
ALA A 329
ALA A 326
 None
FAD  A 501 (-3.4A)
None
FAD  A 501 (-3.6A)
FAD  A 501 (-3.5A)
 1.07A 5zw4A-6bz0A:
3.7		 5zw4A-6bz0A:
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.
6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 TYR B  88
ASN B  64
ALA A  71
ALA A  98
PHE A  67
 TYR  B  88 ( 1.3A)
ASN  B  64 ( 0.6A)
ALA  A  71 ( 0.0A)
ALA  A  98 ( 0.0A)
PHE  A  67 ( 1.3A)
 1.05A 5zw4A-6c0wB:
undetectable		 5zw4A-6c0wB:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 GLU A 947
ALA A 921
ALA A 910
ALA A 887
PHE A 889
 None
 1.04A 5zw4A-6en4A:
undetectable		 5zw4A-6en4A:
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.
1b1b PROTEIN (IRON
DEPENDENT REGULATOR)

(Mycobacterium
tuberculosis) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C) 		4 GLU A  83
ARG A  84
ARG A  80
ASP A  88
 ZN  A 301 (-2.6A)
None
SO4  A 303 (-4.0A)
None
 1.21A 5zw4A-1b1bA:
undetectable		 5zw4A-1b1bA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		4 SER A 148
GLU A 201
ASP A 322
ASP A 172
 None
 1.23A 5zw4A-1eg1A:
undetectable		 5zw4A-1eg1A:
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		4 SER A  83
ARG A 138
ASP A 182
ASP A  91
 None
 1.12A 5zw4A-1fobA:
undetectable		 5zw4A-1fobA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		4 SER A 121
ARG A  99
ARG A  36
ASP A 100
 None
 1.06A 5zw4A-1gq8A:
undetectable		 5zw4A-1gq8A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lvg GUANYLATE KINASE

(Mus musculus) 		PF00625
(Guanylate_kin) 		4 GLU A  47
ARG A  44
ASP A  49
ASP A 101
 None
5GP  A1202 (-3.1A)
None
5GP  A1202 ( 3.4A)
 1.17A 5zw4A-1lvgA:
undetectable		 5zw4A-1lvgA:
24.59
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.
1ph5 TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		4 SER A  95
ARG A 272
ASP A 247
ASP A 209
 None
 1.21A 5zw4A-1ph5A:
undetectable		 5zw4A-1ph5A:
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.
1q2l PROTEASE III

(Escherichia
coli) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M) 		4 GLU A 769
ARG A 810
ASP A 888
ASP A 881
 None
 1.28A 5zw4A-1q2lA:
undetectable		 5zw4A-1q2lA:
13.06
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.
1r6z CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND ARGONAUTE 2

(Escherichia
coli;
Drosophila
melanogaster) 		no annotation 4 SER P 702
GLU P 631
ARG P 628
ARG P 627
 None
 1.06A 5zw4A-1r6zP:
undetectable		 5zw4A-1r6zP:
17.42
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.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 GLU A 177
ARG A 164
ASP A 149
ASP A 183
 None
 1.21A 5zw4A-1ryyA:
undetectable		 5zw4A-1ryyA:
17.17
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.
1wrb DJVLGB

(Dugesia
japonica) 		PF00270
(DEAD) 		4 SER A 232
GLU A 343
ARG A 346
ASP A 349
 SO4  A1001 (-3.6A)
None
None
None
 1.14A 5zw4A-1wrbA:
4.1		 5zw4A-1wrbA:
23.81
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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		4 SER A 105
GLU A 122
ARG A 123
ASP A 150
 None
 0.78A 5zw4A-1yb2A:
14.3		 5zw4A-1yb2A:
22.45
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		4 ARG A 114
ARG A 112
ASP A 116
ASP A  79
 None
 1.02A 5zw4A-1yxyA:
undetectable		 5zw4A-1yxyA:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bcc UBIQUINOL CYTOCHROME
C OXIDOREDUCTASE

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ARG A 244
ARG A 242
ASP A 246
ASP A 332
 None
 1.26A 5zw4A-2bccA:
undetectable		 5zw4A-2bccA:
21.20
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.
2bkd FRAGILE X MENTAL
RETARDATION 1
PROTEIN

(Homo sapiens) 		PF05641
(Agenet) 		4 SER N  69
GLU N   7
ARG N   9
ASP N  46
 None
None
HSO  N  45 ( 3.9A)
HSO  N  45 ( 3.7A)
 1.30A 5zw4A-2bkdN:
undetectable		 5zw4A-2bkdN:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		4 SER A  95
ARG A 117
ASP A 138
ASP A 160
 SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
MG  A 300 ( 3.6A)
 1.12A 5zw4A-2br4A:
14.4		 5zw4A-2br4A:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		4 GLU A  85
ARG A  90
ASP A 113
ASP A 133
 None
None
ZN  A 306 ( 4.7A)
None
 0.75A 5zw4A-2gpyA:
26.8		 5zw4A-2gpyA:
49.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		4 SER A  68
GLU A  85
ARG A  90
ASP A 113
 None
None
None
ZN  A 306 ( 4.7A)
 0.79A 5zw4A-2gpyA:
26.8		 5zw4A-2gpyA:
49.79
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		4 GLU A 872
ARG A 901
ASP A 897
ASP A 869
 None
 1.01A 5zw4A-2j7nA:
undetectable		 5zw4A-2j7nA:
13.59
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.
2ml2 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 4 SER A 114
GLU A 137
ARG A  51
ARG A  73
 None
 1.31A 5zw4A-2ml2A:
undetectable		 5zw4A-2ml2A:
17.86
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		4 SER A 301
ARG A 331
ASP A 369
ASP A 317
 None
 1.07A 5zw4A-2oi6A:
undetectable		 5zw4A-2oi6A:
19.26
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		4 SER A 101
GLU A 119
ASP A 144
ASP A 165
 None
 0.74A 5zw4A-2oo3A:
11.4		 5zw4A-2oo3A:
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.
2ool SENSOR PROTEIN

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 SER A 139
ARG A 174
ARG A 304
ASP A 199
 None
 1.30A 5zw4A-2oolA:
undetectable		 5zw4A-2oolA:
21.57
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.
2psb YERB PROTEIN

(Bacillus
subtilis) 		PF11258
(DUF3048)
PF17479
(DUF3048_C) 		4 SER A 115
GLU A  87
ARG A 246
ASP A 242
 None
 1.10A 5zw4A-2psbA:
undetectable		 5zw4A-2psbA:
24.92
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 SER A 235
ARG B 183
ARG A 231
ASP A 219
 None
SH0  A 503 (-3.8A)
SRM  B 503 (-4.1A)
SF4  A 501 ( 4.8A)
 1.11A 5zw4A-2v4jA:
undetectable		 5zw4A-2v4jA:
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.
2vl7 XPD

(Sulfurisphaera
tokodaii) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		4 GLU A 524
ARG A 521
ASP A 528
ASP A 487
 None
 1.23A 5zw4A-2vl7A:
2.2		 5zw4A-2vl7A:
17.96
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		4 SER A  86
ARG A 168
ARG A 217
ASP A 170
 None
 1.20A 5zw4A-2x05A:
undetectable		 5zw4A-2x05A:
11.19
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.
2x2u PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF00028
(Cadherin) 		4 GLU A 178
ARG A 177
ARG A 231
ASP A  58
 None
 1.18A 5zw4A-2x2uA:
undetectable		 5zw4A-2x2uA:
18.77
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.
2xt4 MCBG-LIKE PROTEIN

(Xanthomonas
albilineans) 		PF00805
(Pentapeptide)
PF13599
(Pentapeptide_4) 		4 GLU A  32
ARG A  30
ARG A  52
ASP A  10
 None
 1.26A 5zw4A-2xt4A:
undetectable		 5zw4A-2xt4A:
20.08
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.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 SER A 411
GLU A 285
ARG A 298
ASP A 234
 AMP  A1001 (-3.1A)
AMP  A1001 (-3.6A)
SO4  A2003 (-3.0A)
None
 0.82A 5zw4A-2zr2A:
undetectable		 5zw4A-2zr2A:
21.83
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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		4 GLU A 115
ARG A 120
ASP A 142
ASP A 163
 SFG  A 500 (-2.6A)
SFG  A 500 (-4.4A)
SFG  A 500 (-4.0A)
SFG  A 500 (-3.7A)
 0.86A 5zw4A-3a4tA:
15.2		 5zw4A-3a4tA:
21.90
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.
3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B

(Bacillus cereus) 		PF01613
(Flavin_Reduct) 		4 GLU A  67
ARG A  68
ASP A 153
ASP A 148
 None
 1.19A 5zw4A-3bpkA:
undetectable		 5zw4A-3bpkA:
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.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		4 SER A 238
GLU A 253
ARG A 251
ARG A 320
 None
None
CIT  A 432 (-3.6A)
None
 1.22A 5zw4A-3bzmA:
undetectable		 5zw4A-3bzmA:
17.93
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.
3dxq CHOLINE/ETHANOLAMINE
KINASE FAMILY
PROTEIN

(Mesorhizobium
loti) 		PF01633
(Choline_kinase) 		4 GLU A  57
ARG A  42
ARG A  54
ASP A 178
 None
 1.07A 5zw4A-3dxqA:
undetectable		 5zw4A-3dxqA:
21.52
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.
3flb RIFR

(Amycolatopsis
mediterranei) 		PF00975
(Thioesterase) 		4 GLU A  48
ARG A  15
ARG A  22
ASP A  18
 None
 1.27A 5zw4A-3flbA:
undetectable		 5zw4A-3flbA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A  51
ARG A 120
ASP A 116
ASP A 364
 None
 1.25A 5zw4A-3i6eA:
undetectable		 5zw4A-3i6eA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kya PUTATIVE PHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 ARG A 464
ARG A 440
ASP A 455
ASP A 467
 None
 0.85A 5zw4A-3kyaA:
undetectable		 5zw4A-3kyaA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll7 PUTATIVE
METHYLTRANSFERASE

(Porphyromonas
gingivalis) 		no annotation 4 GLU A 119
ARG A 120
ASP A 148
ASP A 167
 None
None
None
EDO  A 507 (-4.1A)
 1.00A 5zw4A-3ll7A:
12.6		 5zw4A-3ll7A:
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		4 SER A 592
ARG A 346
ASP A 350
ASP A 381
 None
 1.23A 5zw4A-3mc2A:
undetectable		 5zw4A-3mc2A:
14.56
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.
3mqz UNCHARACTERIZED
CONSERVED PROTEIN
DUF1054

(Leptospirillum
rubarum) 		PF06335
(DUF1054) 		4 ARG A 108
ARG A 184
ASP A 180
ASP A 152
 None
 1.17A 5zw4A-3mqzA:
undetectable		 5zw4A-3mqzA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum;
Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		4 SER A 204
GLU A 208
ASP B1229
ASP A 206
 None
 1.01A 5zw4A-3myrA:
undetectable		 5zw4A-3myrA:
21.00
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.
3n6r PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Roseobacter
denitrificans) 		PF01039
(Carboxyl_trans) 		4 GLU B  68
ARG B  69
ASP B 264
ASP B  56
 None
 1.26A 5zw4A-3n6rB:
undetectable		 5zw4A-3n6rB:
16.98
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 SER A 259
ARG A 302
ARG A 279
ASP A 375
 None
 1.22A 5zw4A-3nyqA:
undetectable		 5zw4A-3nyqA:
17.73
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		4 SER A 390
ARG A 462
ASP A 460
ASP A 428
 None
 0.98A 5zw4A-3sggA:
undetectable		 5zw4A-3sggA:
16.79
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.
3t95 AUTOINDUCER
2-BINDING PROTEIN
LSRB

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		4 GLU A 121
ARG A 123
ASP A 117
ASP A 312
 None
 1.31A 5zw4A-3t95A:
2.9		 5zw4A-3t95A:
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.
3tgl TRIACYL-GLYCEROL
ACYLHYDROLASE

(Rhizomucor
miehei) 		PF01764
(Lipase_3) 		4 GLU A 162
ARG A 160
ASP A 156
ASP A 128
 None
 1.07A 5zw4A-3tglA:
undetectable		 5zw4A-3tglA:
20.57
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 SER A 424
ARG A 131
ARG A 134
ASP A 149
 None
 0.86A 5zw4A-3tlmA:
undetectable		 5zw4A-3tlmA:
13.45
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.
3tv2 FUMARATE HYDRATASE,
CLASS II

(Burkholderia
pseudomallei) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 SER A 545
GLU A 448
ASP A 434
ASP A 331
 None
 1.29A 5zw4A-3tv2A:
undetectable		 5zw4A-3tv2A:
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.
3twd BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep) 		4 SER A 301
ARG A 331
ASP A 369
ASP A 317
 None
 1.07A 5zw4A-3twdA:
undetectable		 5zw4A-3twdA:
23.85
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.
3v7n THREONINE SYNTHASE

(Burkholderia
thailandensis) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 ARG A  78
ARG A  79
ASP A  55
ASP A  72
 None
 1.27A 5zw4A-3v7nA:
2.3		 5zw4A-3v7nA:
17.21
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 GLU B 462
ARG B  46
ARG B 458
ASP B 453
 None
 1.06A 5zw4A-3ze7B:
undetectable		 5zw4A-3ze7B:
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 SER B 325
GLU B 462
ARG B  46
ASP B 453
 None
 1.26A 5zw4A-3ze7B:
undetectable		 5zw4A-3ze7B:
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.
4a5p PROTEIN MXIA

(Shigella
flexneri) 		PF00771
(FHIPEP) 		4 SER A 553
GLU A 569
ARG A 572
ASP A 650
 None
 1.21A 5zw4A-4a5pA:
undetectable		 5zw4A-4a5pA:
18.35
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 SER A 716
GLU A 708
ASP A 687
ASP A 710
 None
 1.20A 5zw4A-4b9yA:
2.1		 5zw4A-4b9yA:
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		4 SER A 100
GLU A 118
ASP A 143
ASP A 164
 None
None
None
TRS  A1281 ( 3.0A)
 0.90A 5zw4A-4bluA:
10.7		 5zw4A-4bluA:
24.83
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.
4bs9 TRUD

(uncultured
Prochloron sp.
06037A) 		PF02624
(YcaO) 		4 GLU A 333
ARG A 330
ARG A 329
ASP A 726
 None
 1.21A 5zw4A-4bs9A:
undetectable		 5zw4A-4bs9A:
13.96
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.
4cwe REPLICATION
INITIATION PROTEIN,
REPLICATION
INITIATION PROTEIN

(Staphylococcus
aureus) 		PF02486
(Rep_trans) 		4 GLU A 216
ARG A 182
ARG A 189
ASP A 183
 None
 1.30A 5zw4A-4cweA:
undetectable		 5zw4A-4cweA:
21.03
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.
4f1n KPAGO

(Vanderwaltozyma
polyspora) 		PF02171
(Piwi) 		4 GLU A 511
ARG A 504
ASP A 502
ASP A 517
 None
 1.13A 5zw4A-4f1nA:
undetectable		 5zw4A-4f1nA:
11.78
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.
4hgv FUMARATE HYDRATASE
CLASS II

(Sinorhizobium
meliloti) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 SER A 415
GLU A 318
ASP A 304
ASP A 201
 None
 1.26A 5zw4A-4hgvA:
undetectable		 5zw4A-4hgvA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hgx XYLOSE ISOMERASE
DOMAIN CONTAINING
PROTEIN

(Salmonella
enterica) 		PF01261
(AP_endonuc_2) 		4 SER A 199
GLU A  37
ARG A  39
ASP A 170
 None
None
None
ZN  A 301 (-3.0A)
 1.31A 5zw4A-4hgxA:
undetectable		 5zw4A-4hgxA:
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 SER A  46
ARG A 209
ARG A  54
ASP A  48
 None
 1.18A 5zw4A-4j5tA:
undetectable		 5zw4A-4j5tA:
14.18
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 SER A  46
ARG A 209
ARG A  54
ASP A 210
 None
 1.27A 5zw4A-4j5tA:
undetectable		 5zw4A-4j5tA:
14.18
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.
4mdv ANNEXIN

(Schistosoma
mansoni) 		PF00191
(Annexin) 		4 GLU A 269
ARG A 285
ARG A 277
ASP A 289
 None
 1.27A 5zw4A-4mdvA:
undetectable		 5zw4A-4mdvA:
23.08
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.
4mtk VGRG1

(Pseudomonas
aeruginosa) 		PF05954
(Phage_GPD) 		4 GLU A 341
ARG A 289
ARG A 323
ASP A 212
 SO4  A 745 ( 4.9A)
SO4  A 721 (-3.2A)
SO4  A 745 (-4.4A)
None
 0.75A 5zw4A-4mtkA:
undetectable		 5zw4A-4mtkA:
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.
4pbv NT-3 GROWTH FACTOR
RECEPTOR
PROTEIN-TYROSINE
PHOSPHATASE
CRYPALPHA1 ISOFORM

(Gallus gallus;
Gallus gallus) 		PF00047
(ig)
PF13855
(LRR_8)
PF16920
(TPKR_C2)
PF07679
(I-set)
PF13927
(Ig_3) 		4 SER A 143
ARG C  76
ARG A 121
ASP A 242
 None
 1.31A 5zw4A-4pbvA:
undetectable		 5zw4A-4pbvA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv0 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE
TER94

(Drosophila
melanogaster) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 ARG A  80
ARG A  86
ASP A  71
ASP A  31
 None
SO4  A 201 (-3.5A)
None
None
 1.15A 5zw4A-4rv0A:
undetectable		 5zw4A-4rv0A:
21.15
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		4 SER A 666
GLU A 729
ARG A 312
ASP A 310
 None
None
CNP  A 760 (-3.6A)
None
 1.24A 5zw4A-4sliA:
undetectable		 5zw4A-4sliA:
16.54
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 SER A  67
GLU A 184
ARG A 187
ASP A 161
 None
 1.25A 5zw4A-4wzbA:
3.0		 5zw4A-4wzbA:
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.
5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE

(Caulobacter
vibrioides) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLU A 260
ARG A 249
ARG A 273
ASP A 160
 None
 1.14A 5zw4A-5a05A:
5.7		 5zw4A-5a05A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 SER A 663
ARG A 355
ARG A 412
ASP A 438
 None
 1.30A 5zw4A-5a0zA:
undetectable		 5zw4A-5a0zA:
16.56
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		4 GLU A 135
ARG A 140
ASP A 163
ASP A 181
 SAH  A 301 (-2.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.4A)
 0.72A 5zw4A-5ccxA:
18.3		 5zw4A-5ccxA:
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		4 SER A 118
GLU A 135
ARG A 140
ASP A 163
 None
SAH  A 301 (-2.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-2.7A)
 1.26A 5zw4A-5ccxA:
18.3		 5zw4A-5ccxA:
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.
5d6b FUMARATE HYDRATASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 SER A 452
GLU A 355
ASP A 341
ASP A 238
 None
 1.28A 5zw4A-5d6bA:
undetectable		 5zw4A-5d6bA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d95 AMINOTRANSFERASE
CLASS-III

(Sphaerobacter
thermophilus) 		PF00202
(Aminotran_3) 		4 SER A 372
GLU A 339
ARG A 342
ASP A  82
 None
 1.25A 5zw4A-5d95A:
undetectable		 5zw4A-5d95A:
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.
5dlb CHAPERONE ESPG3

(Mycobacterium
marinum) 		PF14011
(ESX-1_EspG) 		4 SER A 257
GLU A 215
ARG A  87
ASP A  85
 SCN  A 314 ( 2.9A)
None
None
None
 1.24A 5zw4A-5dlbA:
undetectable		 5zw4A-5dlbA:
18.73
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		4 GLU B 139
ARG B 144
ASP B 168
ASP B 203
 SAM  B 401 (-2.9A)
SAM  B 401 (-4.7A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.3A)
 0.53A 5zw4A-5ergB:
17.0		 5zw4A-5ergB:
22.16
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		4 SER B 125
GLU B 139
ARG B 144
ASP B 168
 None
SAM  B 401 (-2.9A)
SAM  B 401 (-4.7A)
SAM  B 401 (-3.5A)
 1.09A 5zw4A-5ergB:
17.0		 5zw4A-5ergB:
22.16
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.
5f9s SERINE--PYRUVATE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 SER A 218
GLU A  87
ARG A 118
ASP A 114
 None
 1.26A 5zw4A-5f9sA:
undetectable		 5zw4A-5f9sA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6
LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens;
Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition)
PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 GLU A 448
ARG B 853
ASP B 874
ASP A 425
 None
 1.29A 5zw4A-5gjeA:
undetectable		 5zw4A-5gjeA:
18.00
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		4 SER A  46
GLU A  29
ARG A   5
ASP A  64
 None
 1.22A 5zw4A-5gz1A:
undetectable		 5zw4A-5gz1A:
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.
5knm CDNA FLJ39643 FIS,
CLONE SMINT2004023,
HIGHLY SIMILAR TO
HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHACHAIN
F
BETA-2-MICROGLOBULIN

(Homo sapiens;
Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set)
PF07654
(C1-set) 		4 GLU A  49
ARG A  48
ASP B  53
ASP A 238
 None
 1.24A 5zw4A-5knmA:
undetectable		 5zw4A-5knmA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kvk PROTEIN KP700603

(Klebsiella
pneumoniae) 		PF02464
(CinA) 		4 SER A  82
ARG A 142
ARG A 140
ASP A 119
 None
 1.03A 5zw4A-5kvkA:
undetectable		 5zw4A-5kvkA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 SER A  81
ARG B 117
ARG B 121
ASP A  46
 None
 1.27A 5zw4A-5l9wA:
undetectable		 5zw4A-5l9wA:
14.88
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 SER A 625
GLU A 606
ARG A 578
ASP A 558
 None
 1.30A 5zw4A-5necA:
undetectable		 5zw4A-5necA:
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.
5o60 50S RIBOSOMAL
PROTEIN L23
50S RIBOSOMAL
PROTEIN L29

(Mycolicibacterium
smegmatis;
Mycolicibacterium
smegmatis) 		PF00276
(Ribosomal_L23)
PF00831
(Ribosomal_L29) 		4 GLU Z  27
ARG Z  23
ARG U   8
ASP Z  20
 None
 1.25A 5zw4A-5o60Z:
undetectable		 5zw4A-5o60Z:
15.38
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.
5w5z 3C10 FAB LIGHT CHAIN

(Rattus
norvegicus) 		no annotation 4 GLU L 184
ARG L 187
ASP L 156
ASP L 150
 None
 1.18A 5zw4A-5w5zL:
undetectable		 5zw4A-5w5zL:
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT
3NT OXYGENASE BETA
SUBUNIT

(Diaphorobacter
sp. DS2;
Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		4 SER A 368
GLU C 150
ARG C 144
ARG C 147
 None
 1.22A 5zw4A-5xbpA:
undetectable		 5zw4A-5xbpA:
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.
5xnm PHOTOSYSTEM II CP47
REACTION CENTER
PROTEIN

(Pisum sativum) 		no annotation 4 SER B 289
GLU B 353
ARG B 352
ASP B 372
 None
 1.10A 5zw4A-5xnmB:
undetectable		 5zw4A-5xnmB:
18.62
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 4 SER A 497
GLU A 494
ARG A 631
ASP A 489
 None
 1.27A 5zw4A-5yfbA:
undetectable		 5zw4A-5yfbA:
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.
5ze4 DIHYDROXY-ACID
DEHYDRATASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 SER A 567
ARG A 527
ASP A 529
ASP A 405
 None
 1.13A 5zw4A-5ze4A:
undetectable		 5zw4A-5ze4A:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 4 SER A 342
GLU A 368
ARG A 337
ASP A 314
 None
None
SO4  A 919 (-3.7A)
None
 1.26A 5zw4A-5zlnA:
undetectable		 5zw4A-5zlnA:
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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 4 SER A  59
GLU A 114
ASP A 109
ASP A 117
 None
 1.21A 5zw4A-5zqjA:
undetectable		 5zw4A-5zqjA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 4 GLU A  85
ARG A  86
ARG A  90
ASP A 113
 SAM  A 302 (-2.7A)
None
U  D  34 (-2.9A)
SAM  A 302 (-3.3A)
 1.12A 5zw4A-5zw4A:
41.4		 5zw4A-5zw4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 SER A  68
GLU A  85
ARG A  90
ASP A 113
ASP A 133
 SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
U  D  34 (-2.9A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.6A)
 0.00A 5zw4A-5zw4A:
41.4		 5zw4A-5zw4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6asx DNA-DIRECTED RNA
POLYMERASE SUBUNIT
OMEGA

(Escherichia
coli) 		no annotation 4 GLU K  53
ARG K  52
ASP K  44
ASP K  36
 None
 1.25A 5zw4A-6asxK:
undetectable		 5zw4A-6asxK:
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.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 4 SER A 503
ARG A 595
ARG A 578
ASP A 536
 None
 1.06A 5zw4A-6aunA:
undetectable		 5zw4A-6aunA:
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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER

(Yersinia pestis) 		no annotation 4 SER A 137
ARG A  26
ASP A  49
ASP A 125
 None
 0.95A 5zw4A-6b2yA:
undetectable		 5zw4A-6b2yA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 4 SER A 910
ARG A 623
ARG A 619
ASP A 627
 None
 1.25A 5zw4A-6co7A:
undetectable		 5zw4A-6co7A:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 4 SER A1331
ARG A1256
ASP A1243
ASP A1325
 None
 1.17A 5zw4A-6fayA:
undetectable		 5zw4A-6fayA:
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.
6fkh ATP SYNTHASE SUBUNIT
BETA, CHLOROPLASTIC
ATP SYNTHASE GAMMA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea;
Spinacia
oleracea) 		no annotation
no annotation 		4 SER g 324
GLU D 400
ARG D 397
ASP D 417
 None
 1.21A 5zw4A-6fkhg:
undetectable		 5zw4A-6fkhg:
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.
6gpl GDP-MANNOSE 4,6
DEHYDRATASE

(Homo sapiens) 		no annotation 4 SER B 156
GLU B 328
ARG B 325
ASP B 244
 F7E  B 402 (-3.5A)
F7E  B 402 (-2.9A)
F7E  B 402 (-3.2A)
None
 1.18A 5zw4A-6gplB:
8.0		 5zw4A-6gplB:
undetectable