SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZXI_A_GLYA1402_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.
1amu GRAMICIDIN
SYNTHETASE 1

(Brevibacillus
brevis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 234
ASP A 235
GLY A 302
THR A 326
LYS A 517
 PHE  A 566 ( 4.5A)
PHE  A 566 (-2.8A)
PHE  A 566 ( 3.6A)
AMP  A 567 ( 3.9A)
AMP  A 567 ( 2.8A)
 0.27A 4zxiA-1amuA:
49.6		 4zxiA-1amuA:
19.56
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.
1b5t PROTEIN
(METHYLENETETRAHYDRO
FOLATE REDUCTASE)

(Escherichia
coli) 		PF02219
(MTHFR) 		4 ASP A  46
ILE A  45
GLY A  76
TRP A  42
 None
 0.86A 4zxiA-1b5tA:
undetectable		 4zxiA-1b5tA:
11.98
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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		4 ASP A 246
ILE A 221
GLY A 232
THR A 235
 None
 1.15A 4zxiA-1bueA:
undetectable		 4zxiA-1bueA:
11.41
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.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		4 ASP A   5
ILE A  90
GLY A  78
THR A  84
 CA  A 701 (-3.2A)
None
None
None
 1.05A 4zxiA-1dbiA:
2.6		 4zxiA-1dbiA:
13.51
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.
1dex RHAMNOGALACTURONAN
ACETYLESTERASE

(Aspergillus
aculeatus) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 192
ILE A 191
GLY A  17
THR A 194
 None
 0.97A 4zxiA-1dexA:
3.8		 4zxiA-1dexA:
12.85
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.
1dmw PHENYLALANINE
HYDROXYLASE

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 ASP A 282
ILE A 269
GLY A 272
THR A 278
 None
 1.09A 4zxiA-1dmwA:
undetectable		 4zxiA-1dmwA:
13.74
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		4 ASP A 246
ILE A 221
GLY A 232
THR A 235
 None
 1.16A 4zxiA-1dy6A:
undetectable		 4zxiA-1dy6A:
12.75
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 ASP S 465
ILE S 466
GLY S 468
THR S 184
 None
 1.12A 4zxiA-1i84S:
2.7		 4zxiA-1i84S:
22.94
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.
1izc MACROPHOMATE
SYNTHASE
INTERMOLECULAR
DIELS-ALDERASE

(Macrophoma
commelinae) 		PF03328
(HpcH_HpaI) 		4 PHE A  76
ILE A  69
GLY A  49
THR A  53
 None
 1.14A 4zxiA-1izcA:
undetectable		 4zxiA-1izcA:
13.83
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.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 PHE A  71
ILE A  69
GLY A 135
THR A  24
 None
 1.06A 4zxiA-1oi7A:
5.6		 4zxiA-1oi7A:
13.47
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.
1orp ENDONUCLEASE III

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 ASP A 139
ILE A 182
GLY A 185
THR A 140
 None
 1.12A 4zxiA-1orpA:
undetectable		 4zxiA-1orpA:
10.90
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.
1orq POTASSIUM CHANNEL

(Aeropyrum
pernix) 		PF00520
(Ion_trans) 		4 ILE C 168
GLY C 213
THR C 206
TRP C 189
 None
 0.98A 4zxiA-1orqC:
undetectable		 4zxiA-1orqC:
10.72
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		4 ASP A 282
ILE A 269
GLY A 272
THR A 278
 None
 0.96A 4zxiA-1phzA:
2.1		 4zxiA-1phzA:
17.02
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.
1rrc POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		PF13671
(AAA_33) 		4 ASP A 278
GLY A 212
THR A 169
LYS A 258
 CA  A 700 (-3.1A)
None
None
CA  A 700 ( 4.7A)
 0.99A 4zxiA-1rrcA:
4.7		 4zxiA-1rrcA:
12.40
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 ASP A  92
GLY A  80
THR A  94
TRP A  39
 None
 1.04A 4zxiA-1sp3A:
undetectable		 4zxiA-1sp3A:
15.74
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ASP A 372
ILE A 374
GLY A 364
TRP A 338
 None
 1.10A 4zxiA-1ud3A:
undetectable		 4zxiA-1ud3A:
15.91
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.
1ud9 DNA POLYMERASE
SLIDING CLAMP A

(Sulfurisphaera
tokodaii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 PHE A 176
ILE A 134
GLY A 138
THR A 180
 None
 1.09A 4zxiA-1ud9A:
undetectable		 4zxiA-1ud9A:
11.18
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.
1vey PEPTIDE DEFORMYLASE

(Leptospira
interrogans) 		PF01327
(Pep_deformylase) 		4 PHE A  97
ILE A 139
GLY A 135
THR A  74
 EPE  A1716 (-4.2A)
None
None
EPE  A1716 ( 4.7A)
 1.15A 4zxiA-1veyA:
undetectable		 4zxiA-1veyA:
8.45
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.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN
TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		4 PHE B 274
ASP A  43
ILE B 289
GLY B 287
 None
 1.13A 4zxiA-1wdwB:
2.1		 4zxiA-1wdwB:
18.75
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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		4 ASP A 197
ILE A 165
GLY A 136
THR A 193
 None
 0.91A 4zxiA-1wyeA:
2.3		 4zxiA-1wyeA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xat XENOBIOTIC
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep) 		4 PHE A 165
ASP A 169
ILE A 198
GLY A 196
 None
 1.16A 4zxiA-1xatA:
undetectable		 4zxiA-1xatA:
10.02
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		4 PHE A  39
ILE A 338
GLY A 342
THR A 292
 None
 1.13A 4zxiA-1zefA:
undetectable		 4zxiA-1zefA:
16.89
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.
2abk ENDONUCLEASE III

(Escherichia
coli) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF10576
(EndIII_4Fe-2S) 		4 ASP A 138
ILE A 180
GLY A 183
THR A 139
 None
 0.94A 4zxiA-2abkA:
undetectable		 4zxiA-2abkA:
10.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fjk FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Thermus
caldophilus) 		PF01116
(F_bP_aldolase) 		4 ASP A 255
GLY A 179
THR A 252
LYS A 182
 None
13P  A1063 (-3.9A)
None
13P  A1063 (-2.6A)
 1.18A 4zxiA-2fjkA:
undetectable		 4zxiA-2fjkA:
13.02
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.
2fzv PUTATIVE ARSENICAL
RESISTANCE PROTEIN

(Shigella
flexneri) 		PF03358
(FMN_red) 		4 ILE A 122
GLY A 162
THR A 157
TRP A 105
 None
 1.08A 4zxiA-2fzvA:
3.3		 4zxiA-2fzvA:
12.09
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.
2hxs RAS-RELATED PROTEIN
RAB-28

(Homo sapiens) 		PF00071
(Ras) 		4 ASP A  68
ILE A  69
GLY A  19
THR A  26
 MG  A 402 ( 4.0A)
None
None
MG  A 402 ( 3.0A)
 1.01A 4zxiA-2hxsA:
2.9		 4zxiA-2hxsA:
8.63
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 ASP A 301
ILE A 292
GLY A 308
THR A 305
 None
 0.97A 4zxiA-2p50A:
undetectable		 4zxiA-2p50A:
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 236
GLY A 309
THR A 335
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-2.9A)
 0.78A 4zxiA-2v7bA:
41.7		 4zxiA-2v7bA:
18.33
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		4 ASP A 198
ILE A 165
GLY A 136
THR A 194
 None
 1.01A 4zxiA-2varA:
4.4		 4zxiA-2varA:
13.92
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.
2vjt ALLOPHYCOCYANIN
ALPHA SUBUNIT
ALLOPHYCOCYANIN BETA
SUBUNIT

(Gloeobacter
violaceus;
Gloeobacter
violaceus) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		4 ASP B   3
ILE B   5
GLY A  99
THR A   5
 None
 0.90A 4zxiA-2vjtB:
undetectable		 4zxiA-2vjtB:
8.72
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.
2w3c GENERAL VESICULAR
TRANSPORT FACTOR
P115

(Homo sapiens) 		PF04869
(Uso1_p115_head) 		4 PHE A 577
ILE A 568
GLY A 546
THR A 625
 None
 1.13A 4zxiA-2w3cA:
undetectable		 4zxiA-2w3cA:
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.
2wf7 BETA-PHOSPHOGLUCOMUT
ASE

(Lactococcus
lactis) 		PF13419
(HAD_2) 		4 PHE A 151
ILE A 178
GLY A 174
LYS A 145
 None
None
None
ALF  A1219 (-2.7A)
 1.03A 4zxiA-2wf7A:
2.8		 4zxiA-2wf7A:
11.06
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ASP A 616
ILE A 675
GLY A 662
THR A 624
 None
 1.16A 4zxiA-2ww2A:
undetectable		 4zxiA-2ww2A:
20.47
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 PHE A 368
ILE A 146
GLY A 304
THR A 127
 None
 1.02A 4zxiA-2xd3A:
undetectable		 4zxiA-2xd3A:
17.07
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 PHE A 368
ILE A 146
GLY A 305
THR A 127
 None
 1.14A 4zxiA-2xd3A:
undetectable		 4zxiA-2xd3A:
17.07
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.
2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Plasmodium
vivax) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 PHE A 103
ASP A  98
ILE A 102
GLY A 225
 None
 0.95A 4zxiA-2yneA:
undetectable		 4zxiA-2yneA:
13.90
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.
2ywv PHOSPHORIBOSYLAMINOI
MIDAZOLE
SUCCINOCARBOXAMIDE
SYNTHETASE

(Geobacillus
kaustophilus) 		PF01259
(SAICAR_synt) 		4 ASP A 176
ILE A 175
GLY A 111
TRP A 203
 SO4  A 543 ( 4.6A)
None
None
None
 0.93A 4zxiA-2ywvA:
undetectable		 4zxiA-2ywvA:
11.58
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.
3a3u MENAQUINONE
BIOSYNTHETIC ENZYME

(Thermus
thermophilus) 		PF02621
(VitK2_biosynth) 		4 PHE A  18
ASP A  14
ILE A  17
GLY A  74
 None
 1.09A 4zxiA-3a3uA:
undetectable		 4zxiA-3a3uA:
12.27
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase) 		4 ASP A 198
GLY A 159
THR A 162
LYS A  66
 None
 1.06A 4zxiA-3al0A:
undetectable		 4zxiA-3al0A:
17.36
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.
3be5 PUTATIVE IRON
COMPOUND-BINDING
PROTEIN OF ABC
TRANSPORTER FAMILY

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 PHE A  86
ASP A  85
ILE A  75
GLY A  65
 None
 1.03A 4zxiA-3be5A:
2.7		 4zxiA-3be5A:
14.09
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.
3bh6 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
3

(Mus musculus) 		PF00025
(Arf) 		4 ASP A  67
ILE A  68
GLY A  70
THR A  31
 MG  A   2 ( 4.0A)
None
GNP  A   1 (-3.4A)
MG  A   2 ( 3.2A)
 0.94A 4zxiA-3bh6A:
3.1		 4zxiA-3bh6A:
8.19
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.
3bs6 INNER MEMBRANE
PROTEIN OXAA

(Escherichia
coli) 		PF14849
(YidC_periplas) 		4 PHE A 165
ILE A  72
GLY A  77
LYS A 163
 None
 1.03A 4zxiA-3bs6A:
undetectable		 4zxiA-3bs6A:
12.47
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.
3cbu PROBABLE GST-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ASP A  38
ILE A  51
GLY A  55
THR A  40
 None
 1.00A 4zxiA-3cbuA:
undetectable		 4zxiA-3cbuA:
11.11
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.
3dhv D-ALANINE-POLY(PHOSP
HORIBITOL) LIGASE

(Bacillus cereus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 196
ASP A 197
GLY A 270
THR A 297
LYS A 492
 DAL  A 701 (-4.7A)
DAL  A 701 ( 2.7A)
DAL  A 701 ( 3.1A)
AMP  A 711 (-3.9A)
DAL  A 701 ( 3.2A)
 0.65A 4zxiA-3dhvA:
43.9		 4zxiA-3dhvA:
17.03
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ASP X  86
ILE X  66
GLY X  48
THR X  88
 None
 1.09A 4zxiA-3du1X:
undetectable		 4zxiA-3du1X:
12.04
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.
3e2v 3'-5'-EXONUCLEASE

(Saccharomyces
cerevisiae) 		PF01026
(TatD_DNase) 		4 ASP A  40
ILE A  41
GLY A 299
THR A 326
 None
 1.12A 4zxiA-3e2vA:
undetectable		 4zxiA-3e2vA:
15.04
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.
3ewb 2-ISOPROPYLMALATE
SYNTHASE

(Listeria
monocytogenes) 		PF00682
(HMGL-like) 		4 ASP X   8
ILE X 228
GLY X 230
THR X   9
 None
 1.15A 4zxiA-3ewbX:
undetectable		 4zxiA-3ewbX:
12.75
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.
3h3l PUTATIVE SUGAR
HYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		4 PHE A  56
ASP A  57
GLY A  81
THR A  60
 None
 1.13A 4zxiA-3h3lA:
undetectable		 4zxiA-3h3lA:
10.57
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.
3i6t MUCONATE
CYCLOISOMERASE

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 192
ILE A 164
GLY A 321
THR A 219
 None
 1.08A 4zxiA-3i6tA:
undetectable		 4zxiA-3i6tA:
14.09
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		4 ASP A   7
ILE A   8
GLY A 196
THR A 223
 None
 1.16A 4zxiA-3ipwA:
undetectable		 4zxiA-3ipwA:
12.66
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.
3j04 MYOSIN-11

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 ASP A 465
ILE A 466
GLY A 177
THR A 184
 None
 1.18A 4zxiA-3j04A:
undetectable		 4zxiA-3j04A:
20.83
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.
3j04 MYOSIN-11

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 ASP A 465
ILE A 466
GLY A 468
THR A 184
 None
 1.00A 4zxiA-3j04A:
undetectable		 4zxiA-3j04A:
20.83
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		4 ASP A 258
ILE A 234
GLY A 245
THR A 248
 None
None
None
EPE  A 305 (-3.6A)
 1.11A 4zxiA-3lezA:
undetectable		 4zxiA-3lezA:
12.90
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.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 194
ASP A 195
GLY A 268
THR A 295
LYS A 495
 ATP  A 600 ( 4.9A)
None
ATP  A 600 (-3.4A)
ATP  A 600 (-3.6A)
ATP  A 600 (-2.9A)
 0.53A 4zxiA-3lgxA:
45.5		 4zxiA-3lgxA:
16.26
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.
3mil ISOAMYL
ACETATE-HYDROLYZING
ESTERASE

(Saccharomyces
cerevisiae) 		PF13472
(Lipase_GDSL_2) 		4 PHE A  79
ASP A  11
ILE A  13
GLY A 122
 None
 0.80A 4zxiA-3milA:
5.0		 4zxiA-3milA:
11.21
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.
3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Clostridium
perfringens) 		PF01259
(SAICAR_synt) 		4 ASP A 176
ILE A 175
GLY A 111
TRP A 202
 AMP  A 242 (-3.4A)
None
None
None
 0.87A 4zxiA-3nuaA:
undetectable		 4zxiA-3nuaA:
11.64
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		4 ILE A 366
GLY A 197
THR A 379
TRP A 191
 None
None
SO4  A 488 (-4.1A)
None
 1.16A 4zxiA-3nv9A:
2.6		 4zxiA-3nv9A:
17.26
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.
3shq UBLCP1

(Drosophila
melanogaster) 		PF00240
(ubiquitin)
PF03031
(NIF) 		4 ASP A 255
ILE A 256
THR A 150
LYS A 233
 MG  A 321 (-2.7A)
None
None
None
 1.11A 4zxiA-3shqA:
undetectable		 4zxiA-3shqA:
12.55
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 207
ASP A 208
GLY A 280
THR A 310
 DVA  A 602 (-4.1A)
DVA  A 602 (-2.8A)
DVA  A 602 ( 4.1A)
AMP  A 601 (-3.9A)
 1.05A 4zxiA-3vnsA:
46.1		 4zxiA-3vnsA:
17.57
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 207
ASP A 208
GLY A 281
THR A 310
LYS A 507
 DVA  A 602 (-4.1A)
DVA  A 602 (-2.8A)
AMP  A 601 ( 3.4A)
AMP  A 601 (-3.9A)
DVA  A 602 ( 2.7A)
 0.56A 4zxiA-3vnsA:
46.1		 4zxiA-3vnsA:
17.57
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.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		4 PHE A  74
ILE A  16
GLY A  42
TRP A  55
 None
 1.09A 4zxiA-3vvdA:
2.4		 4zxiA-3vvdA:
11.44
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.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		4 ASP A 246
ILE A 221
GLY A 232
THR A 235
 None
 1.14A 4zxiA-3w4qA:
undetectable		 4zxiA-3w4qA:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 ASP A 263
ILE A 282
THR A 262
LYS A 425
 None
 1.12A 4zxiA-4a1oA:
3.0		 4zxiA-4a1oA:
17.53
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		4 ASP A 386
ILE A 387
GLY A 389
THR A 112
 MG  A1000 ( 4.0A)
None
AOV  A1001 (-3.1A)
MG  A1000 ( 2.6A)
 0.92A 4zxiA-4byfA:
undetectable		 4zxiA-4byfA:
20.37
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASP A 200
GLY A 274
THR A 302
LYS A 415
 MG  A1492 (-2.8A)
ANP  A1489 ( 3.3A)
ANP  A1489 ( 3.6A)
ANP  A1489 ( 2.3A)
 1.02A 4zxiA-4d4gA:
46.2		 4zxiA-4d4gA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7w SORTASE FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF04203
(Sortase) 		4 ASP A  95
ILE A  94
GLY A 101
THR A  97
 None
 0.92A 4zxiA-4d7wA:
undetectable		 4zxiA-4d7wA:
10.45
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		4 ASP A 246
ILE A 221
GLY A 232
THR A 235
 None
None
None
MER  A 401 (-3.5A)
 1.16A 4zxiA-4ev4A:
undetectable		 4zxiA-4ev4A:
12.56
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		4 ASP A  61
ILE A  94
GLY A  82
THR A 321
 None
 1.05A 4zxiA-4gz7A:
undetectable		 4zxiA-4gz7A:
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		4 ASP A 210
GLY A 171
THR A 174
LYS A  79
 None
None
TAR  A 701 (-3.6A)
None
 1.12A 4zxiA-4issA:
3.2		 4zxiA-4issA:
18.88
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.
4npa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		4 PHE A 257
ILE A 255
GLY A 173
THR A 185
 None
 1.16A 4zxiA-4npaA:
2.4		 4zxiA-4npaA:
16.64
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.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		5 PHE A 246
ASP A 247
GLY A 317
THR A 343
LYS A 452
 GAP  A 601 (-4.5A)
GAP  A 601 (-2.8A)
GAP  A 601 (-3.2A)
GAP  A 601 (-4.0A)
GAP  A 601 (-2.8A)
 0.92A 4zxiA-4oxiA:
41.8		 4zxiA-4oxiA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7a HISTONE-BINDING
PROTEIN RBBP4

(Homo sapiens) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		4 ASP B 199
GLY B 180
THR B 201
LYS B 143
 None
 1.12A 4zxiA-4r7aB:
undetectable		 4zxiA-4r7aB:
16.13
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A 500
ILE A 503
GLY A 488
THR A 265
 FAD  A 700 (-4.3A)
None
None
None
 1.11A 4zxiA-4udrA:
undetectable		 4zxiA-4udrA:
19.18
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 4 ASP B 393
ILE B 400
GLY B  66
THR B 394
 None
 1.15A 4zxiA-4w5uB:
undetectable		 4zxiA-4w5uB:
16.35
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		4 ASP A 209
GLY A 170
THR A 173
LYS A  77
 None
 1.02A 4zxiA-4wj3A:
undetectable		 4zxiA-4wj3A:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 ASP A 670
ILE A 671
GLY A 738
TRP A 769
 GLY  A1402 (-2.6A)
None
AMP  A1403 ( 4.1A)
None
 1.09A 4zxiA-4zxiA:
73.5		 4zxiA-4zxiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		7 PHE A 669
ASP A 670
ILE A 671
GLY A 739
THR A 764
TRP A 769
LYS A 952
 GLY  A1402 (-4.8A)
GLY  A1402 (-2.6A)
None
AMP  A1403 ( 3.3A)
MG  A1406 ( 3.9A)
None
GLY  A1402 ( 3.1A)
 0.03A 4zxiA-4zxiA:
73.5		 4zxiA-4zxiA:
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.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		4 PHE A 132
ASP A 170
GLY A 272
THR A 199
 None
 0.99A 4zxiA-5a4jA:
3.5		 4zxiA-5a4jA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5de3 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
3

(Chlamydomonas
reinhardtii) 		PF00025
(Arf) 		4 ASP A  66
ILE A  67
GLY A  69
THR A  30
 MG  A 202 ( 4.1A)
None
GNP  A 201 (-3.7A)
MG  A 202 ( 3.1A)
 1.08A 4zxiA-5de3A:
3.6		 4zxiA-5de3A:
8.13
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.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		4 ASP A 247
ILE A 222
GLY A 233
THR A 236
 None
None
None
ACT  A 311 (-3.7A)
 1.14A 4zxiA-5e43A:
undetectable		 4zxiA-5e43A:
13.77
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.
5fby SEPARASE

(Chaetomium
thermophilum) 		PF03568
(Peptidase_C50) 		4 ASP A2151
ILE A2150
GLY A2109
THR A2037
 None
 1.07A 4zxiA-5fbyA:
undetectable		 4zxiA-5fbyA:
19.80
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.
5hzr SNF2-FAMILY ATP
DEPENDENT CHROMATIN
REMODELING FACTOR
LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF14619
(SnAC) 		4 ILE A 587
GLY A 552
THR A 794
TRP A 625
 None
 1.10A 4zxiA-5hzrA:
2.6		 4zxiA-5hzrA:
20.75
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A 210
GLY A 171
THR A 174
LYS A  79
 None
 1.12A 4zxiA-5i8iA:
5.3		 4zxiA-5i8iA:
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 ASP A 648
GLY A 723
THR A 749
LYS A 861
 75C  A1301 (-3.3A)
75C  A1301 (-3.4A)
75C  A1301 (-4.5A)
75C  A1301 ( 2.8A)
 1.14A 4zxiA-5ja1A:
48.9		 4zxiA-5ja1A:
28.94
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 ILE A 679
GLY A 676
THR A 278
TRP A 290
 None
 1.11A 4zxiA-5jxkA:
undetectable		 4zxiA-5jxkA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		4 ASP A 275
ILE A 272
GLY A 238
THR A 285
 None
 1.15A 4zxiA-5k1uA:
undetectable		 4zxiA-5k1uA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 ASP A 246
ILE A 221
GLY A 232
THR A 235
 None
None
None
6YV  A 301 (-3.6A)
 1.16A 4zxiA-5ll7A:
undetectable		 4zxiA-5ll7A:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 ILE A   7
GLY A  75
THR A  10
LYS A  67
 None
 1.09A 4zxiA-5n4lA:
undetectable		 4zxiA-5n4lA:
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 4 PHE A 232
ASP A 233
GLY A 300
THR A 324
 8Q2  A 501 (-4.6A)
8Q2  A 501 (-2.7A)
8Q2  A 501 (-3.2A)
8Q2  A 501 (-3.7A)
 0.27A 4zxiA-5n81A:
49.6		 4zxiA-5n81A:
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.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 211
ASP A 212
GLY A 284
THR A 314
 THR  A 601 (-4.5A)
THR  A 601 (-2.7A)
THR  A 601 ( 4.1A)
ATP  A 602 (-3.7A)
 0.84A 4zxiA-5n9xA:
46.2		 4zxiA-5n9xA:
16.63
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.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 211
ASP A 212
GLY A 285
THR A 314
LYS A 515
 THR  A 601 (-4.5A)
THR  A 601 (-2.7A)
ATP  A 602 ( 3.3A)
ATP  A 602 (-3.7A)
THR  A 601 ( 2.5A)
 0.49A 4zxiA-5n9xA:
46.2		 4zxiA-5n9xA:
16.63
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.
5oed RAS-RELATED PROTEIN
RAB-32

(Homo sapiens) 		no annotation 4 ASP B  81
ILE B  82
GLY B  32
THR B  39
 MG  A 901 ( 3.7A)
None
None
MG  A 901 ( 3.2A)
 0.96A 4zxiA-5oedB:
4.2		 4zxiA-5oedB:
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		4 ASP A1572
ILE A1571
GLY A1530
THR A1459
 None
 1.04A 4zxiA-5u1sA:
undetectable		 4zxiA-5u1sA:
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.
5u89 AMINO ACID
ADENYLATION DOMAIN
PROTEIN

(Geobacillus sp.
Y4.1MC1) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF13193
(AMP-binding_C) 		5 ASP A 656
ILE A 657
GLY A 725
THR A 750
TRP A 755
 MJ8  A1601 (-2.7A)
MJ8  A1601 (-4.7A)
MJ8  A1601 (-3.7A)
MJ8  A1601 ( 4.6A)
None
 0.69A 4zxiA-5u89A:
41.6		 4zxiA-5u89A:
25.13
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 PHE A 212
ASP A 213
GLY A 282
THR A 309
 CA  A1008 (-4.2A)
B6G  A1001 (-2.7A)
B6G  A1001 (-3.4A)
B6G  A1001 (-3.8A)
 0.36A 4zxiA-5wmmA:
44.0		 4zxiA-5wmmA:
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A  57
ILE A  90
GLY A  78
THR A 315
 None
 1.09A 4zxiA-5ykdA:
undetectable		 4zxiA-5ykdA:
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.
5z2e DIHYDRODIPICOLINATE
REDUCTASE

(Paenisporosarcina
sp. TG-14) 		no annotation 4 ASP A  74
ILE A  97
GLY A 101
THR A  76
 None
 1.06A 4zxiA-5z2eA:
4.6		 4zxiA-5z2eA:
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.
6an0 HISTIDINOL
DEHYDROGENASE

(Elizabethkingia
anophelis) 		PF00815
(Histidinol_dh) 		4 ASP A 240
ILE A 328
GLY A 347
THR A 242
 None
 1.17A 4zxiA-6an0A:
3.6		 4zxiA-6an0A:
17.02
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 PHE A 376
ILE A 271
GLY A 296
THR A 284
 None
 1.09A 4zxiA-6cipA:
5.1		 4zxiA-6cipA:
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARC

(Acetobacterium
woodii) 		no annotation 4 ASP C 210
ILE C 212
GLY C 151
THR C 154
 None
 1.13A 4zxiA-6fahC:
undetectable		 4zxiA-6fahC:
undetectable