SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZZC_A_ACTA401_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b3q PROTEIN (CHEMOTAXIS
PROTEIN CHEA)

(Thermotoga
maritima) 		PF01584
(CheW)
PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		4 ILE A 415
ARG A 421
ILE A 429
GLU A 379
 None
 1.15A 4zzcA-1b3qA:
0.0
4zzcB-1b3qA:
0.0		 4zzcA-1b3qA:
22.41
4zzcB-1b3qA:
22.41
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.
1btc BETA-AMYLASE

(Glycine max) 		PF01373
(Glyco_hydro_14) 		4 ILE A 338
PHE A 414
ARG A 376
ILE A 458
 None
 1.10A 4zzcA-1btcA:
0.0
4zzcB-1btcA:
0.0		 4zzcA-1btcA:
22.47
4zzcB-1btcA:
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.
1c8m HUMAN RHINOVIRUS 16
COAT PROTEIN

(Rhinovirus A) 		PF00073
(Rhv) 		4 ILE 2  16
PHE 2  63
ARG 2  18
ILE 2 201
 None
 1.29A 4zzcA-1c8m2:
0.0
4zzcB-1c8m2:
0.0		 4zzcA-1c8m2:
21.36
4zzcB-1c8m2:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cbg CYANOGENIC
BETA-GLUCOSIDASE

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		4 ILE A  81
PHE A 449
ARG A 475
GLU A  71
 None
 1.28A 4zzcA-1cbgA:
0.0
4zzcB-1cbgA:
0.0		 4zzcA-1cbgA:
20.52
4zzcB-1cbgA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f2e GLUTATHIONE
S-TRANSFERASE

(Sphingomonas
paucimobilis) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ILE A 185
PHE A 151
ILE A  16
GLU A  20
 None
 1.01A 4zzcA-1f2eA:
3.0
4zzcB-1f2eA:
2.9		 4zzcA-1f2eA:
23.58
4zzcB-1f2eA:
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.
1f3j H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN

(Mus musculus) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 ILE A 112
PHE A 137
ILE A 119
GLU A 134
 None
 1.11A 4zzcA-1f3jA:
2.8
4zzcB-1f3jA:
2.9		 4zzcA-1f3jA:
18.87
4zzcB-1f3jA:
18.87
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.
1gnw GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ILE A 201
PHE A 165
ILE A  19
GLU A  23
 None
 1.34A 4zzcA-1gnwA:
2.6
4zzcB-1gnwA:
2.8		 4zzcA-1gnwA:
20.89
4zzcB-1gnwA:
20.89
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.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 ILE A 426
PHE A 463
ARG A 467
ILE A 479
 None
 1.38A 4zzcA-1h54A:
3.4
4zzcB-1h54A:
3.3		 4zzcA-1h54A:
19.01
4zzcB-1h54A:
19.01
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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 ILE A  25
PHE A 138
ILE A  70
GLU A  74
 None
 1.37A 4zzcA-1kl7A:
0.0
4zzcB-1kl7A:
0.0		 4zzcA-1kl7A:
20.64
4zzcB-1kl7A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lml LEISHMANOLYSIN

(Leishmania
major) 		PF01457
(Peptidase_M8) 		4 ILE A 361
PHE A 272
ILE A 335
GLU A 343
 None
 1.40A 4zzcA-1lmlA:
undetectable
4zzcB-1lmlA:
undetectable		 4zzcA-1lmlA:
20.44
4zzcB-1lmlA:
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.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		4 ILE A 108
PHE A 112
ILE A 168
GLU A 172
 None
 0.83A 4zzcA-1or4A:
3.9
4zzcB-1or4A:
3.9		 4zzcA-1or4A:
20.50
4zzcB-1or4A:
20.50
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.
1qrh ECO RI ENDONCULEASE

(Escherichia
coli) 		PF02963
(EcoRI) 		4 ILE A 153
PHE A 156
ILE A  94
GLU A  96
 None
 1.04A 4zzcA-1qrhA:
undetectable
4zzcB-1qrhA:
undetectable		 4zzcA-1qrhA:
25.37
4zzcB-1qrhA:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP2)

(Rhinovirus A) 		PF00073
(Rhv) 		4 ILE 2  16
PHE 2  63
ARG 2  18
ILE 2 202
 None
 1.32A 4zzcA-1r1a2:
undetectable
4zzcB-1r1a2:
undetectable		 4zzcA-1r1a2:
19.94
4zzcB-1r1a2:
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.
1s04 HYPOTHETICAL PROTEIN
PF0455

(Pyrococcus
furiosus) 		PF04266
(ASCH) 		4 ILE A  40
ARG A  31
ILE A 103
GLU A  23
 None
 1.30A 4zzcA-1s04A:
undetectable
4zzcB-1s04A:
undetectable		 4zzcA-1s04A:
15.77
4zzcB-1s04A:
15.77
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.
1uch UBIQUITIN C-TERMINAL
HYDROLASE UCH-L3

(Homo sapiens) 		PF01088
(Peptidase_C12) 		4 ILE A 171
PHE A 212
ILE A 191
GLU A  69
 None
 1.22A 4zzcA-1uchA:
undetectable
4zzcB-1uchA:
undetectable		 4zzcA-1uchA:
22.15
4zzcB-1uchA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uik ALPHA PRIME SUBUNIT
OF BETA-CONGLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		4 ILE A 459
PHE A 157
ILE A 261
GLU A 191
 None
 1.22A 4zzcA-1uikA:
undetectable
4zzcB-1uikA:
undetectable		 4zzcA-1uikA:
23.00
4zzcB-1uikA:
23.00
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.
1wdn GLUTAMINE BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		4 ILE A  69
PHE A  81
ARG A  75
ILE A  54
 None
None
GLN  A 227 (-3.0A)
None
 1.30A 4zzcA-1wdnA:
undetectable
4zzcB-1wdnA:
undetectable		 4zzcA-1wdnA:
21.78
4zzcB-1wdnA:
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.
1xxg ENTEROTOXIN

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 ILE A 151
PHE A 191
ILE A 224
GLU A 185
 None
 1.26A 4zzcA-1xxgA:
undetectable
4zzcB-1xxgA:
undetectable		 4zzcA-1xxgA:
23.22
4zzcB-1xxgA:
23.22
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.
2a0a DER F 13

(Dermatophagoides
farinae) 		PF00061
(Lipocalin) 		4 ILE A  84
PHE A  51
ARG A 106
ILE A 104
 None
 1.24A 4zzcA-2a0aA:
undetectable
4zzcB-2a0aA:
undetectable		 4zzcA-2a0aA:
19.05
4zzcB-2a0aA:
19.05
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.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		4 ILE A 179
PHE A 180
ILE A  79
GLU A 169
 None
 1.41A 4zzcA-2a9vA:
undetectable
4zzcB-2a9vA:
undetectable		 4zzcA-2a9vA:
20.38
4zzcB-2a9vA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b2t CHROMODOMAIN-HELICAS
E-DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF00385
(Chromo) 		4 ILE A 132
PHE A 175
ILE A  36
GLU A  40
 None
 1.27A 4zzcA-2b2tA:
undetectable
4zzcB-2b2tA:
undetectable		 4zzcA-2b2tA:
17.55
4zzcB-2b2tA:
17.55
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.
2bx6 XRP2 PROTEIN

(Homo sapiens) 		PF07986
(TBCC) 		4 ILE A 298
PHE A 167
ARG A 251
ILE A 254
 None
 1.30A 4zzcA-2bx6A:
undetectable
4zzcB-2bx6A:
undetectable		 4zzcA-2bx6A:
19.34
4zzcB-2bx6A:
19.34
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		4 ILE A 124
PHE A 161
ARG A 160
GLU A  33
 None
 1.31A 4zzcA-2d2xA:
undetectable
4zzcB-2d2xA:
undetectable		 4zzcA-2d2xA:
22.25
4zzcB-2d2xA:
22.25
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.
2dgd 223AA LONG
HYPOTHETICAL
ARYLMALONATE
DECARBOXYLASE

(Sulfurisphaera
tokodaii) 		no annotation 4 ILE A  85
PHE A  52
ARG A  74
ILE A  11
 None
 1.21A 4zzcA-2dgdA:
undetectable
4zzcB-2dgdA:
undetectable		 4zzcA-2dgdA:
22.62
4zzcB-2dgdA:
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ILE A 518
PHE A 564
ILE A 333
GLU A 269
 None
 1.31A 4zzcA-2e8yA:
undetectable
4zzcB-2e8yA:
undetectable		 4zzcA-2e8yA:
18.32
4zzcB-2e8yA:
18.32
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ILE X 430
PHE X 431
ARG X  61
ILE X  52
 2MD  X 801 (-4.2A)
None
None
None
 1.00A 4zzcA-2iv2X:
undetectable
4zzcB-2iv2X:
undetectable		 4zzcA-2iv2X:
17.87
4zzcB-2iv2X:
17.87
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.
2pyy IONOTROPIC GLUTAMATE
RECEPTOR BACTERIAL
HOMOLOGUE

(Nostoc
punctiforme) 		PF00497
(SBP_bac_3) 		4 ILE A  69
PHE A  81
ARG A  75
ILE A  54
 GLU  A1620 (-4.9A)
None
GLU  A1620 (-2.9A)
None
 1.18A 4zzcA-2pyyA:
undetectable
4zzcB-2pyyA:
undetectable		 4zzcA-2pyyA:
23.29
4zzcB-2pyyA:
23.29
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.
2q03 UNCHARACTERIZED
PROTEIN

(Shewanella
denitrificans) 		PF11528
(DUF3224) 		4 ILE A  16
PHE A  14
ILE A  52
GLU A  70
 None
 1.10A 4zzcA-2q03A:
undetectable
4zzcB-2q03A:
undetectable		 4zzcA-2q03A:
19.54
4zzcB-2q03A:
19.54
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ILE A 372
PHE A 222
ILE A 318
GLU A 314
 None
 0.97A 4zzcA-2rjtA:
undetectable
4zzcB-2rjtA:
undetectable		 4zzcA-2rjtA:
22.20
4zzcB-2rjtA:
22.20
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.
2voa EXODEOXYRIBONUCLEASE
III

(Archaeoglobus
fulgidus) 		PF03372
(Exo_endo_phos) 		4 ILE A 154
ARG A 189
ILE A 197
GLU A 195
 None
 1.38A 4zzcA-2voaA:
undetectable
4zzcB-2voaA:
undetectable		 4zzcA-2voaA:
22.75
4zzcB-2voaA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ILE A 380
PHE A 230
ILE A 326
GLU A 322
 None
 0.99A 4zzcA-2wgeA:
undetectable
4zzcB-2wgeA:
undetectable		 4zzcA-2wgeA:
20.33
4zzcB-2wgeA:
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.
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9
ANAPHASE-PROMOTING
COMPLEX SUBUNIT HCN1
HCN1/CDC26,20S
CYCLOSOME/APC
COMPLEX PROTEIN
HCN1, CHAPERONE-LIKE
PROTEIN HCN1, HIGH
COPY SUPPRESSOR OF
CUT9 PROTEIN 1

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12)
PF10471
(ANAPC_CDC26) 		4 ILE B  10
PHE A 486
ARG A 527
ILE B  12
 None
 1.29A 4zzcA-2xpiB:
undetectable
4zzcB-2xpiB:
undetectable		 4zzcA-2xpiB:
12.41
4zzcB-2xpiB:
12.41
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.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		4 ILE A 149
ARG A 148
ILE A 280
GLU A 277
 None
None
None
1PE  A 410 (-4.1A)
 1.36A 4zzcA-2xrmA:
undetectable
4zzcB-2xrmA:
undetectable		 4zzcA-2xrmA:
20.36
4zzcB-2xrmA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		4 ILE A  45
ARG A  94
ARG A  39
GLU A  87
 None
 1.32A 4zzcA-3ailA:
undetectable
4zzcB-3ailA:
undetectable		 4zzcA-3ailA:
22.63
4zzcB-3ailA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c5i CHOLINE KINASE

(Plasmodium
knowlesi) 		PF01633
(Choline_kinase) 		4 ILE A 269
ARG A 348
ILE A 253
GLU A 254
 None
CHT  A1001 ( 4.8A)
GOL  A1003 (-4.3A)
CA  A 371 ( 3.4A)
 1.20A 4zzcA-3c5iA:
2.3
4zzcB-3c5iA:
2.3		 4zzcA-3c5iA:
23.33
4zzcB-3c5iA:
23.33
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A 283
ARG A  20
ILE A  13
GLU A  96
 None
None
NAD  A 400 (-4.1A)
NAD  A 400 (-2.9A)
 1.37A 4zzcA-3ec7A:
undetectable
4zzcB-3ec7A:
undetectable		 4zzcA-3ec7A:
20.26
4zzcB-3ec7A:
20.26
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.
3eh7 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 ILE A 357
ARG A 368
ILE A 314
GLU A 315
 None
 1.28A 4zzcA-3eh7A:
undetectable
4zzcB-3eh7A:
undetectable		 4zzcA-3eh7A:
21.32
4zzcB-3eh7A:
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 ILE A4048
PHE A4050
ILE A4068
GLU A4064
 None
 1.32A 4zzcA-3g1nA:
undetectable
4zzcB-3g1nA:
undetectable		 4zzcA-3g1nA:
22.09
4zzcB-3g1nA:
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ILE A 193
ARG A 199
ILE A 221
GLU A 218
 None
 1.27A 4zzcA-3gdeA:
undetectable
4zzcB-3gdeA:
undetectable		 4zzcA-3gdeA:
20.53
4zzcB-3gdeA:
20.53
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.
3gha DISULFIDE BOND
FORMATION PROTEIN D

(Bacillus
subtilis) 		PF13462
(Thioredoxin_4) 		4 ILE A  83
PHE A  95
ILE A 195
GLU A  63
 None
EDO  A 301 (-4.1A)
None
EDO  A 301 (-3.6A)
 1.11A 4zzcA-3ghaA:
undetectable
4zzcB-3ghaA:
undetectable		 4zzcA-3ghaA:
19.69
4zzcB-3ghaA:
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.
3hzt CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ILE A 165
PHE A 171
ARG A 168
ILE A 179
 None
 1.36A 4zzcA-3hztA:
2.3
4zzcB-3hztA:
2.3		 4zzcA-3hztA:
20.68
4zzcB-3hztA:
20.68
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		4 ILE A   6
PHE A  32
ARG A  58
ILE A  41
 MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-2.9A)
None
 1.29A 4zzcA-3ia4A:
undetectable
4zzcB-3ia4A:
undetectable		 4zzcA-3ia4A:
20.69
4zzcB-3ia4A:
20.69
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.
3jc7 DNA REPLICATION
COMPLEX GINS PROTEIN
PSF2

(Saccharomyces
cerevisiae) 		PF05916
(Sld5) 		4 ILE B  16
PHE B  11
ARG B 182
ILE B 178
 None
 1.36A 4zzcA-3jc7B:
undetectable
4zzcB-3jc7B:
undetectable		 4zzcA-3jc7B:
18.99
4zzcB-3jc7B:
18.99
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.
3k32 UNCHARACTERIZED
PROTEIN MJ0690

(Methanocaldococcus
jannaschii) 		no annotation 4 ILE A  40
ARG A  64
ILE A 173
GLU A 176
 None
 1.36A 4zzcA-3k32A:
undetectable
4zzcB-3k32A:
undetectable		 4zzcA-3k32A:
21.27
4zzcB-3k32A:
21.27
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.
3lyr TRANSCRIPTION FACTOR
COE1

(Homo sapiens) 		PF16422
(COE1_DBD) 		4 ILE A 108
PHE A  89
ILE A 159
GLU A 158
 None
 1.27A 4zzcA-3lyrA:
2.4
4zzcB-3lyrA:
2.5		 4zzcA-3lyrA:
19.52
4zzcB-3lyrA:
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.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		4 ILE A 173
ARG A  29
ILE A 450
GLU A 449
 None
 1.22A 4zzcA-3mp7A:
undetectable
4zzcB-3mp7A:
undetectable		 4zzcA-3mp7A:
22.15
4zzcB-3mp7A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL

(Homo sapiens) 		PF00005
(ABC_tran) 		4 ILE A 680
PHE A 712
ILE A 705
GLU A 731
 None
 0.92A 4zzcA-3nh9A:
undetectable
4zzcB-3nh9A:
undetectable		 4zzcA-3nh9A:
22.16
4zzcB-3nh9A:
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 379
ARG A 417
ILE A 348
GLU A 377
 None
 1.22A 4zzcA-3nvlA:
undetectable
4zzcB-3nvlA:
undetectable		 4zzcA-3nvlA:
20.97
4zzcB-3nvlA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q4n UNCHARACTERIZED
PROTEIN MJ0754

(Methanocaldococcus
jannaschii) 		PF09968
(DUF2202) 		4 ILE A 166
ARG A 144
ILE A 174
GLU A 173
 None
 1.38A 4zzcA-3q4nA:
4.5
4zzcB-3q4nA:
4.4		 4zzcA-3q4nA:
19.44
4zzcB-3q4nA:
19.44
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ILE A 213
PHE A 219
ILE A 241
GLU A 151
 None
 1.05A 4zzcA-3qdeA:
2.5
4zzcB-3qdeA:
2.5		 4zzcA-3qdeA:
16.06
4zzcB-3qdeA:
16.06
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		4 ILE A 262
PHE A 264
ILE A 404
GLU A 400
 None
 1.21A 4zzcA-3rh9A:
undetectable
4zzcB-3rh9A:
undetectable		 4zzcA-3rh9A:
20.31
4zzcB-3rh9A:
20.31
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ILE A 140
PHE A 146
ARG A 143
ILE A 154
 None
 1.39A 4zzcA-3sxfA:
undetectable
4zzcB-3sxfA:
undetectable		 4zzcA-3sxfA:
19.96
4zzcB-3sxfA:
19.96
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		4 ILE A   6
PHE A  32
ARG A  58
ILE A  41
 MTX  A2001 (-4.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-2.8A)
None
 1.37A 4zzcA-3tq9A:
undetectable
4zzcB-3tq9A:
undetectable		 4zzcA-3tq9A:
20.32
4zzcB-3tq9A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uc3 SERINE/THREONINE-PRO
TEIN KINASE SRK2I

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 ILE A  78
PHE A 162
ARG A 140
ILE A 137
 None
None
None
CO  A 362 (-4.9A)
 1.27A 4zzcA-3uc3A:
2.9
4zzcB-3uc3A:
2.9		 4zzcA-3uc3A:
22.83
4zzcB-3uc3A:
22.83
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ILE A  14
ARG A  12
ILE A  60
GLU A  61
 None
 1.27A 4zzcA-3vthA:
undetectable
4zzcB-3vthA:
undetectable		 4zzcA-3vthA:
20.30
4zzcB-3vthA:
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		4 ILE A 224
PHE A 216
ILE A 250
GLU A 253
 None
 1.00A 4zzcA-3zmrA:
undetectable
4zzcB-3zmrA:
undetectable		 4zzcA-3zmrA:
22.02
4zzcB-3zmrA:
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.
4aaj N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Pyrococcus
furiosus) 		PF00697
(PRAI) 		4 ILE A  36
ARG A  34
ILE A   8
GLU A  13
 None
 1.22A 4zzcA-4aajA:
undetectable
4zzcB-4aajA:
undetectable		 4zzcA-4aajA:
20.82
4zzcB-4aajA:
20.82
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		4 ILE A 539
PHE A 627
ILE A 523
GLU A 558
 None
 1.34A 4zzcA-4gfhA:
3.5
4zzcB-4gfhA:
undetectable		 4zzcA-4gfhA:
14.75
4zzcB-4gfhA:
14.75
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.
4hy3 PHOSPHOGLYCERATE
OXIDOREDUCTASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		4 ILE A  59
ARG A  27
ILE A  36
GLU A  38
 None
 1.39A 4zzcA-4hy3A:
undetectable
4zzcB-4hy3A:
undetectable		 4zzcA-4hy3A:
22.02
4zzcB-4hy3A:
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 ILE A 799
ARG A 806
ILE A  67
GLU A  70
 None
 1.04A 4zzcA-4k0eA:
2.4
4zzcB-4k0eA:
2.3		 4zzcA-4k0eA:
15.59
4zzcB-4k0eA:
15.59
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.
4ksa MALONYL-COA
DECARBOXYLASE

(Rhodopseudomonas
palustris) 		PF05292
(MCD)
PF17408
(MCD_N) 		4 ILE A 196
PHE A 237
ARG A 214
ILE A 205
 None
 1.40A 4zzcA-4ksaA:
undetectable
4zzcB-4ksaA:
undetectable		 4zzcA-4ksaA:
20.00
4zzcB-4ksaA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kxr ESPG5

(Mycobacterium
tuberculosis) 		PF14011
(ESX-1_EspG) 		4 ILE C  99
ARG C  34
ILE C 111
GLU C 115
 None
 1.35A 4zzcA-4kxrC:
undetectable
4zzcB-4kxrC:
undetectable		 4zzcA-4kxrC:
22.82
4zzcB-4kxrC:
22.82
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ILE A 245
PHE A 632
ARG A 241
GLU A 620
 None
 1.41A 4zzcA-4l37A:
undetectable
4zzcB-4l37A:
undetectable		 4zzcA-4l37A:
19.68
4zzcB-4l37A:
19.68
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		4 ILE A   5
PHE A  31
ARG A  60
ILE A  40
 TMQ  A 202 (-4.0A)
TMQ  A 202 (-4.0A)
None
None
 1.27A 4zzcA-4m2xA:
undetectable
4zzcB-4m2xA:
undetectable		 4zzcA-4m2xA:
20.74
4zzcB-4m2xA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ILE A 419
PHE A 263
ILE A 359
GLU A 355
 None
 1.21A 4zzcA-4mz0A:
undetectable
4zzcB-4mz0A:
undetectable		 4zzcA-4mz0A:
16.83
4zzcB-4mz0A:
16.83
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.
4nnu TRANSCRIPTION FACTOR
A, MITOCHONDRIAL

(Homo sapiens) 		PF00505
(HMG_box)
PF09011
(HMG_box_2) 		4 ILE A  84
PHE A  60
ILE A  67
GLU A  63
 None
 1.23A 4zzcA-4nnuA:
undetectable
4zzcB-4nnuA:
undetectable		 4zzcA-4nnuA:
19.63
4zzcB-4nnuA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 4 ILE M 172
PHE M 197
ILE M 337
GLU M 313
 None
 1.09A 4zzcA-4nzrM:
undetectable
4zzcB-4nzrM:
undetectable		 4zzcA-4nzrM:
22.70
4zzcB-4nzrM:
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.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		4 ILE A 436
PHE A 278
ILE A 422
GLU A 418
 None
 1.15A 4zzcA-4ou2A:
undetectable
4zzcB-4ou2A:
undetectable		 4zzcA-4ou2A:
21.65
4zzcB-4ou2A:
21.65
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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 4 ILE K 112
PHE K 116
ILE K   7
GLU K   9
 None
 1.22A 4zzcA-4q66K:
undetectable
4zzcB-4q66K:
undetectable		 4zzcA-4q66K:
20.77
4zzcB-4q66K:
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.
4qrm FLAGELLAR MOTOR
SWITCH PROTEIN FLIM

(Thermotoga
maritima) 		PF02154
(FliM) 		4 ILE A  93
PHE A  92
ILE A 102
GLU A 117
 None
 0.88A 4zzcA-4qrmA:
undetectable
4zzcB-4qrmA:
undetectable		 4zzcA-4qrmA:
20.70
4zzcB-4qrmA:
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.
4xiv CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		4 ILE A 415
ARG A 421
ILE A 429
GLU A 379
 None
 1.08A 4zzcA-4xivA:
4.1
4zzcB-4xivA:
3.6		 4zzcA-4xivA:
20.25
4zzcB-4xivA:
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.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 4 ILE A 163
PHE A  40
ARG A 195
ILE A 249
 None
 1.18A 4zzcA-4z8zA:
undetectable
4zzcB-4z8zA:
undetectable		 4zzcA-4z8zA:
22.63
4zzcB-4z8zA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		4 ILE A 263
PHE A 265
ILE A 408
GLU A 404
 None
 1.30A 4zzcA-4zwlA:
undetectable
4zzcB-4zwlA:
undetectable		 4zzcA-4zwlA:
22.20
4zzcB-4zwlA:
22.20
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.
4zxc HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Pseudomonas sp.
WBC-3) 		no annotation 4 ILE W 251
PHE W 250
ARG W  68
ILE W  65
 None
 1.17A 4zzcA-4zxcW:
undetectable
4zzcB-4zxcW:
undetectable		 4zzcA-4zxcW:
21.51
4zzcB-4zxcW:
21.51
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 ILE A 635
PHE A 622
ARG A 684
ILE A 559
 None
 1.38A 4zzcA-5a22A:
undetectable
4zzcB-5a22A:
3.7		 4zzcA-5a22A:
10.13
4zzcB-5a22A:
10.13
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.
5an9 60S RIBOSOMAL
PROTEIN L3

(Dictyostelium
discoideum) 		PF00297
(Ribosomal_L3) 		4 ILE A  78
PHE A 329
ARG A 287
ILE A 367
 None
 0.91A 4zzcA-5an9A:
undetectable
4zzcB-5an9A:
undetectable		 4zzcA-5an9A:
20.65
4zzcB-5an9A:
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.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		4 ILE B  58
PHE B  53
ILE B  85
GLU B  24
 None
 1.26A 4zzcA-5b48B:
undetectable
4zzcB-5b48B:
undetectable		 4zzcA-5b48B:
22.99
4zzcB-5b48B:
22.99
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.
5cb2 PROTEIN SEY1

(Candida
albicans) 		PF05879
(RHD3) 		4 ILE A 119
PHE A 280
ILE A  60
GLU A 151
 None
 1.34A 4zzcA-5cb2A:
undetectable
4zzcB-5cb2A:
5.8		 4zzcA-5cb2A:
19.01
4zzcB-5cb2A:
19.01
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ILE A 561
PHE A 550
ARG A 547
ILE A 713
 None
 1.29A 4zzcA-5dotA:
undetectable
4zzcB-5dotA:
undetectable		 4zzcA-5dotA:
12.46
4zzcB-5dotA:
12.46
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.
5ejj UFM1-SPECIFIC
PROTEASE

(Caenorhabditis
elegans) 		PF07910
(Peptidase_C78) 		4 ILE A  58
ARG A  51
ARG A  54
GLU A 131
 None
 1.36A 4zzcA-5ejjA:
undetectable
4zzcB-5ejjA:
2.0		 4zzcA-5ejjA:
20.54
4zzcB-5ejjA:
20.54
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.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol) 		4 ILE C 868
PHE C 872
ILE C 983
GLU C 982
 None
 1.09A 4zzcA-5exrC:
undetectable
4zzcB-5exrC:
undetectable		 4zzcA-5exrC:
15.25
4zzcB-5exrC:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fuu HIV-1 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ILE A 420
PHE A 383
ARG A 298
ILE A 439
 None
None
None
MAN  A1268 (-3.4A)
 1.27A 4zzcA-5fuuA:
undetectable
4zzcB-5fuuA:
undetectable		 4zzcA-5fuuA:
18.92
4zzcB-5fuuA:
18.92
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.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		4 ILE A1145
PHE A1107
ILE A1122
GLU A1118
 None
 1.41A 4zzcA-5fv0A:
undetectable
4zzcB-5fv0A:
undetectable		 4zzcA-5fv0A:
21.70
4zzcB-5fv0A:
21.70
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.
5g06 EXOSOME COMPLEX
COMPONENT SKI6
EXOSOME COMPLEX
COMPONENT RRP42
EXOSOME COMPLEX
COMPONENT RRP4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF14382
(ECR1_N)
PF15985
(KH_6) 		4 ILE B  50
PHE H  14
ILE E 131
GLU E  57
 None
 1.39A 4zzcA-5g06B:
undetectable
4zzcB-5g06B:
undetectable		 4zzcA-5g06B:
23.26
4zzcB-5g06B:
23.26
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT EPSILON

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 ILE e 532
ARG e 431
ILE e 115
GLU e 114
 None
 1.04A 4zzcA-5gw5e:
undetectable
4zzcB-5gw5e:
undetectable		 4zzcA-5gw5e:
21.21
4zzcB-5gw5e:
21.21
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		4 ILE A 317
PHE A 341
ILE A 413
GLU A 417
 16A  A 504 ( 4.7A)
None
16A  A 504 ( 4.1A)
16A  A 504 (-4.0A)
 1.07A 4zzcA-5hxwA:
undetectable
4zzcB-5hxwA:
undetectable		 4zzcA-5hxwA:
21.83
4zzcB-5hxwA:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ILE B 639
ARG B 601
ILE B 701
GLU B 697
 None
 1.39A 4zzcA-5ip9B:
undetectable
4zzcB-5ip9B:
undetectable		 4zzcA-5ip9B:
14.13
4zzcB-5ip9B:
14.13
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 ILE B 400
ARG B 654
ILE B 686
GLU B 688
 None
 1.15A 4zzcA-5l9wB:
undetectable
4zzcB-5l9wB:
undetectable		 4zzcA-5l9wB:
17.74
4zzcB-5l9wB:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ny5 3,4-DIHYDROXYBENZOAT
E DECARBOXYLASE

(Enterobacter
cloacae) 		PF01977
(UbiD) 		4 ILE A  12
ARG A  70
ILE A 316
GLU A 262
 None
GOL  A 502 (-2.5A)
None
None
 1.33A 4zzcA-5ny5A:
undetectable
4zzcB-5ny5A:
undetectable		 4zzcA-5ny5A:
20.08
4zzcB-5ny5A:
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		4 ILE A  12
ARG A  70
ILE A 316
GLU A 262
 None
 1.32A 4zzcA-5o3mA:
undetectable
4zzcB-5o3mA:
undetectable		 4zzcA-5o3mA:
20.04
4zzcB-5o3mA:
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.
5o9e PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN
PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN
PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF04427
(Brix)
no annotation 		4 ILE B 541
ARG A 240
ARG A 260
GLU B 535
 None
 0.99A 4zzcA-5o9eB:
undetectable
4zzcB-5o9eB:
undetectable		 4zzcA-5o9eB:
16.51
4zzcB-5o9eB:
16.51
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM2

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 ILE 2 494
PHE 2 820
ARG 2 836
ILE 2 498
 None
 1.14A 4zzcA-5udb2:
undetectable
4zzcB-5udb2:
undetectable		 4zzcA-5udb2:
16.09
4zzcB-5udb2:
16.09
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A 330
PHE A 322
ARG A 418
ILE A 414
 None
 1.23A 4zzcA-5uj1A:
undetectable
4zzcB-5uj1A:
undetectable		 4zzcA-5uj1A:
undetectable
4zzcB-5uj1A:
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.
5x9j PRHC

(Penicillium
brasilianum) 		no annotation 4 ILE A  21
PHE A  60
ARG A  33
ILE A 124
 None
 1.13A 4zzcA-5x9jA:
undetectable
4zzcB-5x9jA:
undetectable		 4zzcA-5x9jA:
19.49
4zzcB-5x9jA:
19.49
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.
6c2j RNAP2

(Escherichia
virus N4) 		no annotation 4 ILE B  12
PHE B   4
ARG B 355
GLU B 400
 None
 1.30A 4zzcA-6c2jB:
undetectable
4zzcB-6c2jB:
undetectable		 4zzcA-6c2jB:
undetectable
4zzcB-6c2jB:
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.
6chs NPL4

(Chaetomium
thermophilum) 		no annotation 4 ILE A 307
ARG A 282
ILE A 512
GLU A 513
 None
 1.05A 4zzcA-6chsA:
undetectable
4zzcB-6chsA:
undetectable		 4zzcA-6chsA:
undetectable
4zzcB-6chsA:
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.
6dch SCOE PROTEIN

(Streptomyces
coeruleorubidus) 		no annotation 4 ILE A 275
PHE A 270
ARG A 296
GLU A 268
 None
 1.20A 4zzcA-6dchA:
undetectable
4zzcB-6dchA:
undetectable		 4zzcA-6dchA:
undetectable
4zzcB-6dchA:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 4 ILE A 393
PHE A 468
ILE A 447
GLU A 441
 None
 0.90A 4zzcA-6eotA:
undetectable
4zzcB-6eotA:
undetectable		 4zzcA-6eotA:
undetectable
4zzcB-6eotA:
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.
6exp SIRV3 ACRID1 (GP02)
ANTI-CRISPR PROTEIN

(Sulfolobus
islandicus
rudivirus 3) 		no annotation 4 ILE A  83
PHE A  37
ILE A  56
GLU A  58
 None
 1.24A 4zzcA-6expA:
undetectable
4zzcB-6expA:
undetectable		 4zzcA-6expA:
undetectable
4zzcB-6expA:
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.
6fj4 ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		no annotation 4 ILE A 922
PHE A 917
ARG A 948
ILE A 859
 None
 1.03A 4zzcA-6fj4A:
undetectable
4zzcB-6fj4A:
undetectable		 4zzcA-6fj4A:
undetectable
4zzcB-6fj4A:
undetectable