SIMILAR PATTERNS OF AMINO ACIDS FOR 4URO_A_NOVA2000

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aj6 GYRASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		7 ASN A  46
GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ILE A  94
 NOV  A   1 (-4.0A)
NOV  A   1 (-3.8A)
NOV  A   1 (-3.5A)
NOV  A   1 (-3.5A)
NOV  A   1 (-4.1A)
NOV  A   1 (-4.2A)
NOV  A   1 ( 4.4A)
 0.41A 4uroA-1aj6A:
28.5		 4uroA-1aj6A:
55.51
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.
1b63 MUTL

(Escherichia
coli) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ASN A  33
SER A  34
ASP A  58
ILE A  63
ASP A  66
 MG  A 701 ( 2.5A)
ANP  A 380 ( 3.8A)
ANP  A 380 (-3.6A)
ANP  A 380 (-4.5A)
None
 0.93A 4uroA-1b63A:
15.0		 4uroA-1b63A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 SER A 698
ARG A 734
ILE A 694
SER A 690
ARG A 172
 None
 1.29A 4uroA-1h0hA:
undetectable		 4uroA-1h0hA:
11.83
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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 SER A 129
ASP A  78
ILE A  75
GLN A 216
ILE A 186
 None
None
TYE  A1434 ( 3.9A)
None
None
 1.30A 4uroA-1h3eA:
undetectable		 4uroA-1h3eA:
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.
1h67 CALPONIN ALPHA

(Gallus gallus) 		PF00307
(CH) 		5 GLU A 107
ASP A 110
ILE A 105
PRO A 102
ILE A  95
 None
 1.23A 4uroA-1h67A:
undetectable		 4uroA-1h67A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		5 SER B 314
ARG B 322
ILE B 193
PRO B 184
ILE B 264
 None
 1.36A 4uroA-1htrB:
undetectable		 4uroA-1htrB:
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.
1id0 PHOQ HISTIDINE
KINASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ASN A 389
ASP A 415
ILE A 420
PRO A 421
ILE A 428
 ANP  A 487 (-3.0A)
ANP  A 487 (-3.7A)
ANP  A 487 (-4.7A)
None
ANP  A 487 (-3.7A)
 0.73A 4uroA-1id0A:
6.0		 4uroA-1id0A:
23.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kij DNA GYRASE SUBUNIT B

(Thermus
thermophilus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  45
GLU A  49
ASP A  72
ARG A  75
ILE A  77
PRO A  78
ASP A  80
ILE A  93
ARG A 135
 NOV  A 400 (-3.8A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.1A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
 0.44A 4uroA-1kijA:
28.0		 4uroA-1kijA:
32.11
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.
1m5y SURVIVAL PROTEIN
SURA

(Escherichia
coli) 		PF00639
(Rotamase)
PF09312
(SurA_N)
PF13616
(Rotamase_3) 		5 SER A 366
GLU A 379
ARG A 288
ILE A 290
ILE A 310
 None
 1.30A 4uroA-1m5yA:
undetectable		 4uroA-1m5yA:
20.63
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.
1mhy METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox)
PF02964
(MeMO_Hyd_G) 		5 SER B 175
ILE B  66
PRO B  63
GLN G  55
SER B  90
 None
 1.35A 4uroA-1mhyB:
undetectable		 4uroA-1mhyB:
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLU A 413
ASP A 415
ASP A 407
GLN A 393
ILE A 392
 None
 1.19A 4uroA-1q3xA:
undetectable		 4uroA-1q3xA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s14 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		9 ASN A1042
SER A1043
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ASP A1077
ILE A1090
ARG A1132
 NOV  A1300 (-3.7A)
NOV  A1300 (-3.6A)
NOV  A1300 (-3.7A)
NOV  A1300 (-3.4A)
NOV  A1300 (-3.1A)
NOV  A1300 (-4.5A)
NOV  A1300 (-2.7A)
NOV  A1300 ( 4.6A)
NOV  A1300 (-2.9A)
 0.49A 4uroA-1s14A:
26.0		 4uroA-1s14A:
37.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s16 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A1042
SER A1043
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ASP A1077
ILE A1090
ARG A1132
 ANP  A1500 (-3.2A)
ANP  A1500 ( 4.0A)
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
None
None
ANP  A1500 ( 3.2A)
None
 0.73A 4uroA-1s16A:
26.1		 4uroA-1s16A:
30.47
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		5 ASP A 205
ILE A 405
PRO A 404
ILE A 374
SER A 270
 MDO  A 203 ( 4.3A)
None
None
None
None
 1.11A 4uroA-1w27A:
undetectable		 4uroA-1w27A:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLU A 183
ILE B  62
ASP B  29
GLN B  81
ILE B  80
 None
 1.16A 4uroA-1w85A:
undetectable		 4uroA-1w85A:
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 SER A 133
ASP A 320
ILE A 315
SER A 313
ARG A 138
 None
 1.38A 4uroA-1w8oA:
undetectable		 4uroA-1w8oA:
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 ASN A 638
SER A 636
ASP A 618
ASP A 538
SER A 604
 None
 1.31A 4uroA-1wacA:
undetectable		 4uroA-1wacA:
16.34
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.
1xup GLYCEROL KINASE

(Enterococcus
casseliflavus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 SER O 400
ILE O 404
PRO O 405
GLN O 432
ILE O 262
 None
 1.37A 4uroA-1xupO:
undetectable		 4uroA-1xupO:
20.91
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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLU A 413
ASP A 415
ASP A 407
GLN A 393
ILE A 392
 None
 1.12A 4uroA-1zjkA:
undetectable		 4uroA-1zjkA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aml SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		5 GLU A  40
ARG A  67
ILE A  68
GLN A  54
ILE A  43
 None
 1.29A 4uroA-2amlA:
undetectable		 4uroA-2amlA:
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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		5 ASN A 405
ILE A 535
PRO A 479
ASP A 511
GLN A 513
 None
 1.31A 4uroA-2b0tA:
undetectable		 4uroA-2b0tA:
17.64
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.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 SER A 210
ILE A  10
ASP A  21
GLN A  15
ILE A  13
 None
None
CA  A 300 (-3.1A)
CA  A 300 (-3.5A)
None
 1.37A 4uroA-2b6nA:
undetectable		 4uroA-2b6nA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6i ATP-DEPENDENT CLP
PROTEASE, PUTATIVE

(Plasmodium
falciparum) 		PF00574
(CLP_protease) 		5 ASP A 353
ILE A 351
ASP A 334
ILE A 286
SER A 258
 None
 1.18A 4uroA-2f6iA:
undetectable		 4uroA-2f6iA:
22.13
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.
2lhs CBP21

(Serratia
marcescens) 		PF03067
(LPMO_10) 		5 SER A  78
ILE A 137
PRO A 138
ASP A 140
ILE A 147
 None
 1.30A 4uroA-2lhsA:
undetectable		 4uroA-2lhsA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p6r AFUHEL308 HELICASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ASN A 283
ASP A 316
ILE A 279
SER A 288
ARG A 312
 None
 1.34A 4uroA-2p6rA:
undetectable		 4uroA-2p6rA:
15.44
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.
2pl1 TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOP

(Escherichia
coli) 		PF00072
(Response_reg) 		5 GLU A  57
ASP A  58
ARG A  65
ILE A  63
ILE A  75
 None
 0.85A 4uroA-2pl1A:
undetectable		 4uroA-2pl1A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		5 GLU A 292
ARG A 294
PRO A 123
SER A  19
ARG A  62
 None
 1.36A 4uroA-2rjbA:
undetectable		 4uroA-2rjbA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x75 ADENYLOSUCCINATE
LYASE

(Staphylococcus
aureus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 SER A 103
GLU A 176
ARG A 172
ASP A 116
ILE A  13
 None
 1.12A 4uroA-2x75A:
undetectable		 4uroA-2x75A:
21.53
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.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		5 SER A 264
ILE A 261
ILE A 257
SER A 221
ARG A 260
 None
 1.12A 4uroA-3ag6A:
undetectable		 4uroA-3ag6A:
25.55
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 ASN A 418
SER A 446
ASP A 449
ILE A 673
ILE A 676
 None
 1.32A 4uroA-3dwkA:
undetectable		 4uroA-3dwkA:
17.27
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.
3fho ATP-DEPENDENT RNA
HELICASE DBP5

(Schizosaccharomyces
pombe) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLU A 336
ILE A 368
ASP A 375
ILE A 357
ARG A 371
 None
 1.38A 4uroA-3fhoA:
undetectable		 4uroA-3fhoA:
15.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		8 ASN A  42
SER A  43
GLU A  46
ASP A  69
ARG A  72
PRO A  75
ASP A  77
ARG A 132
 1EU  A   2 (-4.9A)
1EU  A   2 (-3.0A)
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.2A)
None
1EU  A   2 (-3.9A)
 1.05A 4uroA-3fv5A:
28.0		 4uroA-3fv5A:
46.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		8 ASN A  42
SER A  43
GLU A  46
ASP A  69
ARG A  72
PRO A  75
ILE A  90
ARG A 132
 1EU  A   2 (-4.9A)
1EU  A   2 (-3.0A)
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.2A)
1EU  A   2 (-4.5A)
1EU  A   2 (-3.9A)
 0.69A 4uroA-3fv5A:
28.0		 4uroA-3fv5A:
46.15
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.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 ASN A 373
GLU A 375
ILE A 371
PRO A 424
ILE A 329
 None
 1.24A 4uroA-3i6rA:
undetectable		 4uroA-3i6rA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j2i PROLIFERATION-ASSOCI
ATED PROTEIN 2G4

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 SER A  47
ILE A  80
GLN A 318
ILE A 108
SER A  39
 None
 1.37A 4uroA-3j2iA:
undetectable		 4uroA-3j2iA:
21.48
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 ARG A 190
ILE A 213
ILE A 243
SER A 257
ARG A 212
 None
 1.25A 4uroA-3jskA:
undetectable		 4uroA-3jskA:
21.74
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.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 SER A 108
GLU A 138
ARG A 141
ILE A 139
ILE A 120
 None
 1.28A 4uroA-3l8dA:
undetectable		 4uroA-3l8dA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 SER A 108
GLU A 138
ARG A 141
ILE A 139
SER A 125
 None
 1.11A 4uroA-3l8dA:
undetectable		 4uroA-3l8dA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  86
SER A  87
GLU A  90
ASP A 113
ARG A 116
PRO A 119
ASP A 121
ILE A 134
ARG A 176
 NOV  A 901 (-4.0A)
NOV  A 901 (-3.3A)
NOV  A 901 (-3.8A)
NOV  A 901 (-3.5A)
NOV  A 901 (-3.4A)
NOV  A 901 (-4.5A)
NOV  A 901 (-2.6A)
NOV  A 901 ( 4.9A)
NOV  A 901 (-2.5A)
 0.52A 4uroA-3lpsA:
27.5		 4uroA-3lpsA:
30.53
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.
3pyz BIFUNCTIONAL
FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Yersinia pestis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 SER A 183
GLU A 182
ASP A 180
ILE A 169
ILE A 166
 None
 1.24A 4uroA-3pyzA:
undetectable		 4uroA-3pyzA:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u2k DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		6 ASN A  54
SER A  55
ASP A  81
ILE A  86
GLN A  91
ILE A 102
 087  A   1 (-3.9A)
087  A   1 (-3.3A)
087  A   1 (-3.5A)
087  A   1 (-4.4A)
None
None
 1.12A 4uroA-3u2kA:
31.7		 4uroA-3u2kA:
84.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u2k DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		10 ASN A  54
SER A  55
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ASP A  89
ILE A 102
ARG A 144
 087  A   1 (-3.9A)
087  A   1 (-3.3A)
087  A   1 (-3.4A)
087  A   1 (-3.5A)
087  A   1 (-3.8A)
087  A   1 (-4.4A)
087  A   1 (-4.3A)
None
None
087  A   1 (-2.5A)
 0.36A 4uroA-3u2kA:
31.7		 4uroA-3u2kA:
84.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uet ALPHA-1,3/4-FUCOSIDA
SE

(Bifidobacterium
longum) 		PF01120
(Alpha_L_fucos) 		5 SER A 319
GLU A  30
ASP A 379
ILE A 412
SER A 227
 None
 1.25A 4uroA-3uetA:
undetectable		 4uroA-3uetA:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  52
GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
ARG A 141
 ANP  A 601 ( 2.6A)
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
ANP  A 601 (-4.3A)
None
None
 0.70A 4uroA-3zkbA:
28.7		 4uroA-3zkbA:
39.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		5 ASN A  50
SER A  49
PRO A 445
ILE A 435
SER A 421
 None
B07  A 500 (-1.4A)
None
None
None
 1.15A 4uroA-3zvtA:
undetectable		 4uroA-3zvtA:
19.70
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.
4apb FUMARATE HYDRATASE
CLASS II

(Mycobacterium
tuberculosis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ASN A 111
SER A 108
ILE A  51
ASP A  88
GLN A  90
 None
 1.36A 4uroA-4apbA:
undetectable		 4uroA-4apbA:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b6c DNA GYRASE SUBUNIT B

(Mycolicibacterium
smegmatis) 		PF02518
(HATPase_c) 		6 ASN A  52
GLU A  56
ASP A  79
ILE A  84
PRO A  85
ARG A 141
 B5U  A1256 (-3.2A)
B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-4.3A)
B5U  A1256 (-4.2A)
B5U  A1256 ( 4.4A)
 0.55A 4uroA-4b6cA:
24.8		 4uroA-4b6cA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b6c DNA GYRASE SUBUNIT B

(Mycolicibacterium
smegmatis) 		PF02518
(HATPase_c) 		6 GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
ARG A 141
 B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-3.4A)
B5U  A1256 (-4.3A)
B5U  A1256 (-4.2A)
B5U  A1256 ( 4.4A)
 0.39A 4uroA-4b6cA:
24.8		 4uroA-4b6cA:
48.48
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.
4bpx DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT,
DNA PRIMASE LARGE
SUBUNIT

(Homo sapiens) 		PF04104
(DNA_primase_lrg) 		5 ASP B 193
GLN B 123
ILE B 121
SER B 227
ARG B 129
 None
 1.35A 4uroA-4bpxB:
undetectable		 4uroA-4bpxB:
20.88
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.
4da5 CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		5 GLU A 206
ILE A 329
ASP A 306
GLN A 308
SER A 211
 None
None
0H7  A 502 (-3.1A)
0H7  A 502 (-3.1A)
None
 0.99A 4uroA-4da5A:
undetectable		 4uroA-4da5A:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddd IMMUNOGENIC PROTEIN

(Ehrlichia
chaffeensis) 		PF16868
(NMT1_3) 		5 SER A 182
ASP A 199
PRO A 152
SER A  38
ARG A 157
 None
None
None
GOL  A 405 (-4.3A)
None
 1.15A 4uroA-4dddA:
undetectable		 4uroA-4dddA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4em7 DNA TOPOISOMERASE
IV, B SUBUNIT

(Streptococcus
pneumoniae) 		PF02518
(HATPase_c) 		7 ASN A  51
GLU A  55
ASP A  78
ARG A  81
ILE A  98
SER A 124
ARG A 140
 0RA  A 301 (-4.7A)
0RA  A 301 (-3.4A)
0RA  A 301 (-3.6A)
0RA  A 301 ( 3.8A)
None
None
0RA  A 301 (-2.5A)
 0.66A 4uroA-4em7A:
29.5		 4uroA-4em7A:
53.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4em7 DNA TOPOISOMERASE
IV, B SUBUNIT

(Streptococcus
pneumoniae) 		PF02518
(HATPase_c) 		7 ASN A  51
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
SER A 124
 0RA  A 301 (-4.7A)
0RA  A 301 (-3.4A)
0RA  A 301 (-3.6A)
0RA  A 301 ( 3.8A)
0RA  A 301 ( 4.8A)
None
None
 0.71A 4uroA-4em7A:
29.5		 4uroA-4em7A:
53.85
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.
4f0g SERINE/THREONINE-PRO
TEIN KINASE ROCO4

(Dictyostelium
discoideum) 		PF07714
(Pkinase_Tyr) 		5 GLU A1235
ILE A1256
PRO A1257
ASP A1259
ILE A1268
 None
 1.18A 4uroA-4f0gA:
undetectable		 4uroA-4f0gA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f52 GLOMULIN

(Homo sapiens) 		PF08568
(Kinetochor_Ybp2) 		5 ASP E 235
ILE E 298
ASP E 301
GLN E 302
ILE E 245
 None
 1.25A 4uroA-4f52E:
undetectable		 4uroA-4f52E:
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.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 A CHAIN

(Homo sapiens) 		PF00084
(Sushi) 		5 GLU G 413
ASP G 415
ASP G 407
GLN G 393
ILE G 392
 None
 1.08A 4uroA-4fxgG:
undetectable		 4uroA-4fxgG:
18.45
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.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Homo sapiens;
Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		5 SER A 144
ASP A  87
ILE A  19
PRO A  20
GLN A  22
 None
 1.13A 4uroA-4hqpA:
undetectable		 4uroA-4hqpA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 ASN B  39
SER B  38
GLU B  37
ASP B   7
SER B 585
 None
 1.30A 4uroA-4hxeB:
undetectable		 4uroA-4hxeB:
17.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hxw DNA GYRASE SUBUNIT B

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		9 ASN A  55
SER A  56
GLU A  59
ASP A  82
ARG A  85
ILE A  87
PRO A  88
GLN A  92
SER A 129
 1A0  A 301 (-3.8A)
1A0  A 301 (-3.3A)
1A0  A 301 (-3.2A)
1A0  A 301 (-3.4A)
1A0  A 301 (-3.5A)
1A0  A 301 (-3.9A)
1A0  A 301 (-4.2A)
None
1A0  A 301 (-3.2A)
 0.86A 4uroA-4hxwA:
31.8		 4uroA-4hxwA:
65.38
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
ASP A  76
ARG A 131
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
None
CJC  A 401 (-4.2A)
 0.83A 4uroA-4hymA:
27.5		 4uroA-4hymA:
27.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
ILE A  89
ARG A 131
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
 0.50A 4uroA-4hymA:
27.5		 4uroA-4hymA:
27.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  41
SER A  42
GLU A  45
ASP A  68
PRO A  74
ASP A  76
ARG A 131
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.7A)
None
CJC  A 401 (-4.2A)
 1.05A 4uroA-4hymA:
27.5		 4uroA-4hymA:
27.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 SER A  42
GLU A  45
ASP A  68
ARG A  71
ILE A  86
 CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
None
 0.83A 4uroA-4hymA:
27.5		 4uroA-4hymA:
27.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hz5 DNA TOPOISOMERASE
IV, B SUBUNIT

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		7 ASN A  49
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ARG A 138
 19Y  A 301 (-3.8A)
19Y  A 301 (-3.3A)
19Y  A 301 (-3.3A)
19Y  A 301 (-4.0A)
19Y  A 301 (-4.0A)
19Y  A 301 ( 4.7A)
19Y  A 301 ( 4.8A)
 0.52A 4uroA-4hz5A:
30.2		 4uroA-4hz5A:
54.08
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.
4jas HISTIDINE KINASE

(Thermotoga
maritima) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ASN A 380
ASP A 411
ILE A 416
PRO A 417
ILE A 424
 ADP  A 501 ( 2.7A)
ADP  A 501 (-3.4A)
ADP  A 501 (-4.6A)
None
ADP  A 501 (-3.7A)
 1.22A 4uroA-4jasA:
5.3		 4uroA-4jasA:
21.48
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.
4jeu SYNTAXIN-BINDING
PROTEIN 1

(Rattus
norvegicus) 		PF00995
(Sec1) 		5 ASN A 548
GLU A 555
ILE A 482
ASP A 488
SER A 241
 None
 1.38A 4uroA-4jeuA:
undetectable		 4uroA-4jeuA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 ASN A  97
ILE A 166
PRO A 152
GLN A 126
ILE A 164
 None
 1.25A 4uroA-4k3bA:
undetectable		 4uroA-4k3bA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASN A3182
SER A3181
ILE A3207
PRO A3208
SER A3141
 None
 1.11A 4uroA-4kc5A:
undetectable		 4uroA-4kc5A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 ASN A 316
GLU A 396
PRO A 399
ASP A 356
ILE A 375
 None
 1.37A 4uroA-4l22A:
undetectable		 4uroA-4l22A:
15.30
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.
4qts CRISPR TYPE
III-ASSOCIATED RAMP
PROTEIN CSM4

(Methanocaldococcus
jannaschii) 		PF03787
(RAMPs) 		5 ASN A  31
SER A  30
ILE A 279
PRO A 280
ILE A 313
 None
 1.36A 4uroA-4qtsA:
undetectable		 4uroA-4qtsA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ASN A   9
ARG A  19
ILE A  17
ASP A 307
ILE A 293
 None
 1.35A 4uroA-4rcnA:
undetectable		 4uroA-4rcnA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8t ZYRO0G01672P

(Zygosaccharomyces
rouxii) 		PF04146
(YTH) 		5 ASN A 207
GLU A 212
GLN A 299
SER A 202
ARG A 179
 None
 1.34A 4uroA-4u8tA:
undetectable		 4uroA-4u8tA:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  49
SER A  50
GLU A  53
ASP A  76
ARG A  79
ILE A  96
ARG A 138
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
None
None
 0.68A 4uroA-4urlA:
29.8		 4uroA-4urlA:
37.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  49
SER A  50
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
XAM  A2000 (-4.8A)
None
 0.61A 4uroA-4urlA:
29.8		 4uroA-4urlA:
37.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		9 ASN A  54
SER A  55
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ASP A  89
SER A 128
 XAM  A2000 (-3.7A)
XAM  A2000 (-3.3A)
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.9A)
None
XAM  A2000 ( 4.4A)
 0.90A 4uroA-4urmA:
32.9		 4uroA-4urmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		10 ASN A  54
SER A  55
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
GLN A  91
ILE A 102
SER A 128
 XAM  A2000 (-3.7A)
XAM  A2000 (-3.3A)
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.9A)
XAM  A2000 (-3.2A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.4A)
 0.81A 4uroA-4urmA:
32.9		 4uroA-4urmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		10 ASN A  54
SER A  55
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ILE A 102
SER A 128
ARG A 144
 XAM  A2000 (-3.7A)
XAM  A2000 (-3.3A)
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.9A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.4A)
None
 0.56A 4uroA-4urmA:
32.9		 4uroA-4urmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urn DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		8 ASN A  49
SER A  50
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ARG A 138
 NOV  A2000 (-3.8A)
NOV  A2000 ( 3.7A)
NOV  A2000 (-3.4A)
NOV  A2000 (-3.5A)
NOV  A2000 (-3.2A)
NOV  A2000 (-4.1A)
NOV  A2000 (-4.2A)
NOV  A2000 (-2.9A)
 0.66A 4uroA-4urnA:
30.0		 4uroA-4urnA:
58.62
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		5 ASP A 109
ARG A 158
ILE A 161
ILE A 187
ARG A 162
 None
FMN  A5201 (-3.7A)
FMN  A5201 (-3.8A)
FMN  A5201 (-4.0A)
SO4  A5202 ( 2.4A)
 1.35A 4uroA-4wujA:
undetectable		 4uroA-4wujA:
20.78
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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ASN A 254
ILE A 212
PRO A 213
ASP A 215
ILE A 227
 None
 1.33A 4uroA-4z64A:
undetectable		 4uroA-4z64A:
16.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zvi DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		8 ASN A  46
GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ILE A  94
ARG A 136
 4S4  A 401 (-4.3A)
4S4  A 401 (-3.1A)
4S4  A 401 (-3.4A)
4S4  A 401 (-2.8A)
4S4  A 401 (-4.4A)
4S4  A 401 (-4.5A)
None
None
 0.44A 4uroA-4zviA:
30.6		 4uroA-4zviA:
57.69
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 SER A 421
ARG A 843
ILE A 917
PRO A 611
ARG A 916
 None
 1.24A 4uroA-5b7iA:
undetectable		 4uroA-5b7iA:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cq9 SECRETED EFFECTOR
PROTEIN SOPD2

(Salmonella
enterica) 		PF11047
(SopD) 		5 ASN A 204
GLU A 310
ILE A 308
ILE A 298
SER A 301
 None
 1.11A 4uroA-5cq9A:
undetectable		 4uroA-5cq9A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		5 ASN A 163
SER A 160
GLU A 161
ASP A 325
GLN A 332
 None
 1.37A 4uroA-5dj4A:
undetectable		 4uroA-5dj4A:
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.
5ew5 COLICIN-E9

(Escherichia
coli) 		PF03515
(Cloacin) 		5 ASN A 236
SER A 106
ARG A 217
PRO A 218
SER A 238
 None
 1.32A 4uroA-5ew5A:
undetectable		 4uroA-5ew5A:
16.78
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.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		5 GLU A 206
ILE A 329
ASP A 306
GLN A 308
SER A 211
 None
None
EDO  A1466 ( 3.0A)
NBR  A1458 ( 3.3A)
None
 0.87A 4uroA-5ftgA:
undetectable		 4uroA-5ftgA:
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.
5gve DNA TOPOISOMERASE
3-BETA-1

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLU A 565
ARG A 181
ILE A 514
GLN A 319
ILE A 518
 None
 1.33A 4uroA-5gveA:
undetectable		 4uroA-5gveA:
16.34
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.
5hpl RSP5

(Saccharomyces
cerevisiae) 		PF00632
(HECT) 		5 GLU A 763
ASP A 782
ARG A 706
ILE A 762
ILE A 715
 None
 1.38A 4uroA-5hplA:
undetectable		 4uroA-5hplA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 ILE A 224
PRO A 223
ILE A  31
SER A 241
ARG A 225
 None
 1.16A 4uroA-5i5lA:
undetectable		 4uroA-5i5lA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idm CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF02518
(HATPase_c) 		6 ASN A 434
ASP A 479
ILE A 484
PRO A 485
ASP A 487
ILE A 492
 MG  A 602 ( 2.6A)
ANP  A 601 (-3.5A)
ANP  A 601 (-4.5A)
None
None
ANP  A 601 ( 4.0A)
 1.23A 4uroA-5idmA:
6.4		 4uroA-5idmA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j5p DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		8 ASN A  51
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
SER A 124
ARG A 140
 MG  A 503 ( 2.5A)
ANP  A 501 (-3.2A)
ANP  A 501 (-2.6A)
None
None
ANP  A 501 ( 3.4A)
ANP  A 501 (-3.2A)
None
 0.76A 4uroA-5j5pA:
28.7		 4uroA-5j5pA:
40.18
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 SER A 310
GLN A  49
ILE A  65
SER A  92
ARG A  51
 None
 1.31A 4uroA-5mqpA:
undetectable		 4uroA-5mqpA:
17.80
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.
5tz6 CURJ

(Moorea
producens) 		PF14765
(PS-DH) 		5 ASP A1100
ARG A1120
ILE A1104
ASP A1156
ILE A1163
 None
None
None
7OD  A1301 (-2.1A)
7OD  A1301 ( 4.9A)
 1.30A 4uroA-5tz6A:
undetectable		 4uroA-5tz6A:
19.70
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.
5u89 AMINO ACID
ADENYLATION DOMAIN
PROTEIN

(Geobacillus sp.
Y4.1MC1) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF13193
(AMP-binding_C) 		5 SER A1353
ARG A1349
ILE A1321
PRO A1322
GLN A1400
 None
 1.34A 4uroA-5u89A:
undetectable		 4uroA-5u89A:
12.52
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		5 ASN A 147
SER A 146
ASP A 184
ILE A 143
PRO A 139
 None
 1.36A 4uroA-5uhkA:
undetectable		 4uroA-5uhkA:
21.49
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		5 ASN A 147
SER A 146
ASP A 184
ILE A 143
PRO A 139
 None
 1.36A 4uroA-5uhpA:
undetectable		 4uroA-5uhpA:
20.45
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		5 ASN A 147
SER A 146
ASP A 184
ILE A 143
PRO A 139
 None
 1.36A 4uroA-5vvoA:
undetectable		 4uroA-5vvoA:
19.88
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.
5x6n DUFFY BINDING
PROTEIN

(Plasmodium
knowlesi) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		5 ASN A 294
GLU A 292
ILE A 242
ASP A  26
GLN A 248
 None
 1.36A 4uroA-5x6nA:
undetectable		 4uroA-5x6nA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xz3 PEPTIDOGLYCAN-RECOGN
ITION PROTEIN

(Apis mellifera) 		no annotation 5 ASN A  53
SER A  52
GLU A  55
ARG A  58
ARG A  13
 None
 1.35A 4uroA-5xz3A:
undetectable		 4uroA-5xz3A:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 GLU A 269
PRO A 574
ASP A 647
ILE A 599
SER A 569
 G39  A 908 ( 4.7A)
CA  A 903 (-4.4A)
CA  A 903 (-2.1A)
None
None
 1.19A 4uroA-6eksA:
undetectable		 4uroA-6eksA:
15.06