SIMILAR PATTERNS OF AMINO ACIDS FOR 4URO_B_NOVB2000_1

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)
 0.50A 4uroB-1aj6A:
28.8		 4uroB-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
 1.00A 4uroB-1b63A:
14.9		 4uroB-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.
1h67 CALPONIN ALPHA

(Gallus gallus) 		PF00307
(CH) 		5 GLU A 107
ASP A 110
ILE A 105
PRO A 102
ILE A  95
 None
 1.25A 4uroB-1h67A:
undetectable		 4uroB-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.
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)
 0.83A 4uroB-1id0A:
5.9		 4uroB-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)
 0.51A 4uroB-1kijA:
28.1		 4uroB-1kijA:
32.11
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)
 0.52A 4uroB-1s14A:
26.1		 4uroB-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
 0.74A 4uroB-1s16A:
26.0		 4uroB-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.
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 4uroB-1w85A:
undetectable		 4uroB-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.
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
 1.40A 4uroB-1wacA:
undetectable		 4uroB-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.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		5 SER A 141
ASP A 128
ILE A 383
SER A 381
ARG A 387
 None
 1.21A 4uroB-1xzqA:
undetectable		 4uroB-1xzqA:
18.56
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		5 GLU A  46
ILE A  47
ASP A  61
ILE A  34
SER A  38
 None
 1.08A 4uroB-1ydoA:
undetectable		 4uroB-1ydoA:
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 ASN A  42
SER A  43
ASP A  76
ILE A  81
GLN A  84
 MG  A1001 ( 2.6A)
ADP  A2001 ( 3.9A)
ADP  A2001 (-3.7A)
ADP  A2001 (-4.5A)
None
 1.30A 4uroB-1z5aA:
17.3		 4uroB-1z5aA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 4uroB-1zjkA:
undetectable		 4uroB-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.
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
 1.33A 4uroB-2b6nA:
undetectable		 4uroB-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.
2dks CARCINOEMBRYONIC
ANTIGEN-RELATED CELL
ADHESION MOLECULE 8

(Homo sapiens) 		PF07686
(V-set) 		5 ASN A  72
SER A  71
ILE A  55
GLN A  63
ARG A  53
 None
 1.37A 4uroB-2dksA:
undetectable		 4uroB-2dksA:
20.17
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.
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
 0.86A 4uroB-2pl1A:
undetectable		 4uroB-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
 1.34A 4uroB-2rjbA:
undetectable		 4uroB-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.
2v6c PROLIFERATION-ASSOCI
ATED PROTEIN 2G4

(Mus musculus) 		PF00557
(Peptidase_M24) 		5 SER A  47
ILE A  80
GLN A 318
ILE A 108
SER A  39
 None
 1.40A 4uroB-2v6cA:
undetectable		 4uroB-2v6cA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 4uroB-2x75A:
undetectable		 4uroB-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
 0.98A 4uroB-3ag6A:
undetectable		 4uroB-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.
3ay8 GLUTATHIONE
S-TRANSFERASE

(Bombyx mori) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 SER A 169
ILE A 114
ASP A 132
GLN A 128
ILE A 126
 None
 1.30A 4uroB-3ay8A:
undetectable		 4uroB-3ay8A:
20.59
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.
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
 1.31A 4uroB-3dwkA:
undetectable		 4uroB-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.
3ewl UNCHARACTERIZED
CONSERVED PROTEIN
BF1870

(Bacteroides
fragilis) 		PF13098
(Thioredoxin_2) 		5 SER A  -2
ILE A  96
PRO A  68
ILE A  66
ARG A  97
 None
 1.37A 4uroB-3ewlA:
undetectable		 4uroB-3ewlA:
21.59
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)
 1.03A 4uroB-3fv5A:
28.3		 4uroB-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)
 0.64A 4uroB-3fv5A:
28.3		 4uroB-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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 SER A 141
GLU A 140
ARG A 127
ILE A 198
ILE A 206
 FAD  A   1 (-3.1A)
None
None
None
None
 1.29A 4uroB-3fw8A:
undetectable		 4uroB-3fw8A:
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.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		5 ASN A 268
GLU A 313
ARG A 310
ASP A 416
GLN A 415
 None
 1.22A 4uroB-3hoaA:
undetectable		 4uroB-3hoaA:
18.52
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.
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
 1.25A 4uroB-3i6rA:
undetectable		 4uroB-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.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 SER A 111
ARG A  20
ILE A 122
PRO A 119
ILE A 121
 None
 1.37A 4uroB-3j1cA:
undetectable		 4uroB-3j1cA:
17.83
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.
3j2i PROLIFERATION-ASSOCI
ATED PROTEIN 2G4

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 ASP A  97
ARG A 281
ILE A  80
ILE A 108
SER A  39
 None
 1.34A 4uroB-3j2iA:
undetectable		 4uroB-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.
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
 1.38A 4uroB-3j2iA:
undetectable		 4uroB-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
 1.05A 4uroB-3jskA:
undetectable		 4uroB-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
 1.19A 4uroB-3l8dA:
undetectable		 4uroB-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
 1.03A 4uroB-3l8dA:
undetectable		 4uroB-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)
 0.54A 4uroB-3lpsA:
27.6		 4uroB-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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B) 		5 SER A 115
GLU A  57
ARG A 208
ILE A  56
ILE A 123
 None
 1.37A 4uroB-3mmlA:
undetectable		 4uroB-3mmlA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 SER B 174
GLU B 164
ILE B 199
ILE B 130
ARG B 198
 None
None
None
None
NAG  B2001 ( 4.6A)
 1.34A 4uroB-3prxB:
undetectable		 4uroB-3prxB:
9.33
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.
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
 1.25A 4uroB-3pyzA:
undetectable		 4uroB-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
 1.18A 4uroB-3u2kA:
32.0		 4uroB-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)
 0.32A 4uroB-3u2kA:
32.0		 4uroB-3u2kA:
84.42
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) 		6 ASN A  52
GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
 ANP  A 601 ( 2.6A)
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
ANP  A 601 (-4.3A)
None
 0.63A 4uroB-3zkbA:
28.6		 4uroB-3zkbA:
39.14
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) 		6 ASN A  52
GLU A  56
ASP A  79
ILE A  84
PRO A  85
ARG A 141
 ANP  A 601 ( 2.6A)
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
ANP  A 601 (-4.3A)
None
None
 0.63A 4uroB-3zkbA:
28.6		 4uroB-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.
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 4uroB-4apbA:
undetectable		 4uroB-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)
 0.54A 4uroB-4b6cA:
24.9		 4uroB-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)
 0.36A 4uroB-4b6cA:
24.9		 4uroB-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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 SER A 407
ILE A 401
ASP A  28
GLN A  29
ILE A  24
 None
 1.32A 4uroB-4cntA:
undetectable		 4uroB-4cntA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 4uroB-4da5A:
undetectable		 4uroB-4da5A:
18.20
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)
 0.74A 4uroB-4em7A:
29.5		 4uroB-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
 0.73A 4uroB-4em7A:
29.5		 4uroB-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.
4f21 CARBOXYLESTERASE/PHO
SPHOLIPASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF02230
(Abhydrolase_2) 		5 SER A 116
ASP A  25
ILE A  57
PRO A  54
ILE A  86
 None
 1.28A 4uroB-4f21A:
undetectable		 4uroB-4f21A:
22.59
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.
4f52 GLOMULIN

(Homo sapiens) 		PF08568
(Kinetochor_Ybp2) 		5 ASP E 235
ILE E 298
ASP E 301
GLN E 302
ILE E 245
 None
 1.29A 4uroB-4f52E:
undetectable		 4uroB-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.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 SER A  83
GLU A 128
PRO A 345
ILE A 347
SER A 174
 SER  A  83 (-0.0A)
GLU  A 128 (-0.5A)
PRO  A 345 ( 1.1A)
ILE  A 347 ( 0.7A)
SER  A 174 ( 0.0A)
 1.31A 4uroB-4g9kA:
undetectable		 4uroB-4g9kA:
21.11
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.
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
 1.15A 4uroB-4hqpA:
undetectable		 4uroB-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
 1.35A 4uroB-4hxeB:
undetectable		 4uroB-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)
 0.96A 4uroB-4hxwA:
32.1		 4uroB-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) 		8 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
PRO A  74
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 ( 4.7A)
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
 0.68A 4uroB-4hymA:
27.7		 4uroB-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 SER A  42
GLU A  45
ASP A  68
ARG A  71
PRO A  74
ASP A  76
ARG A 131
 CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
CJC  A 401 ( 4.7A)
None
CJC  A 401 (-4.2A)
 0.99A 4uroB-4hymA:
27.7		 4uroB-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.
4hyv PYRUVATE KINASE 1

(Trypanosoma
brucei) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLU A 222
ILE A 214
ILE A 252
SER A 256
ARG A 215
 None
 1.30A 4uroB-4hyvA:
undetectable		 4uroB-4hyvA:
18.73
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)
 0.54A 4uroB-4hz5A:
30.1		 4uroB-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.
4iob DIGUANYLATE CYCLASE
TPBB

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 SER A 371
ASP A 289
ILE A 286
ILE A 314
SER A 355
 None
 1.32A 4uroB-4iobA:
undetectable		 4uroB-4iobA:
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.
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
 1.35A 4uroB-4jeuA:
undetectable		 4uroB-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
 1.27A 4uroB-4k3bA:
undetectable		 4uroB-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
 1.28A 4uroB-4kc5A:
undetectable		 4uroB-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.
4qvr UNCHARACTERIZED
HYPOTHETICAL PROTEIN
FTT_1539C

(Francisella
tularensis) 		no annotation 5 SER A 361
ILE A 381
GLN A 126
ILE A 130
SER A 134
 None
 1.32A 4uroB-4qvrA:
undetectable		 4uroB-4qvrA:
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.
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
 1.32A 4uroB-4rcnA:
undetectable		 4uroB-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
 1.29A 4uroB-4u8tA:
undetectable		 4uroB-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) 		6 ASN A  49
SER A  50
GLU A  53
ASP A  76
ARG A  79
ARG A 138
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
None
 0.66A 4uroB-4urlA:
29.8		 4uroB-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
 0.63A 4uroB-4urlA:
29.8		 4uroB-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)
 0.85A 4uroB-4urmA:
32.9		 4uroB-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)
 0.79A 4uroB-4urmA:
32.9		 4uroB-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
 0.52A 4uroB-4urmA:
32.9		 4uroB-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)
 0.63A 4uroB-4urnA:
30.2		 4uroB-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.
4yj5 PYRUVATE KINASE PKM

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLU A 253
ILE A 245
ILE A 283
SER A 287
ARG A 246
 None
 1.31A 4uroB-4yj5A:
undetectable		 4uroB-4yj5A:
19.25
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
 0.47A 4uroB-4zviA:
30.9		 4uroB-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
 1.27A 4uroB-5b7iA:
undetectable		 4uroB-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
 1.14A 4uroB-5cq9A:
undetectable		 4uroB-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.
5cq9 SECRETED EFFECTOR
PROTEIN SOPD2

(Salmonella
enterica) 		PF11047
(SopD) 		5 ASN A 204
ILE A 308
GLN A 228
ILE A 298
SER A 301
 None
 1.40A 4uroB-5cq9A:
undetectable		 4uroB-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
 1.31A 4uroB-5dj4A:
undetectable		 4uroB-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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ASN A  97
ASP A  93
ILE A 386
GLN A 265
ILE A 261
 None
 1.24A 4uroB-5eb5A:
undetectable		 4uroB-5eb5A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ew5 COLICIN-E9

(Escherichia
coli) 		PF03515
(Cloacin) 		5 ASN A 236
SER A 106
ARG A 217
PRO A 218
SER A 238
 None
 1.28A 4uroB-5ew5A:
undetectable		 4uroB-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
 0.99A 4uroB-5ftgA:
undetectable		 4uroB-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.
5h8a YTH
DOMAIN-CONTAINING
PROTEIN MMI1

(Schizosaccharomyces
pombe) 		PF04146
(YTH) 		5 SER A 347
PRO A 337
ILE A 335
SER A 470
ARG A 338
 None
 1.39A 4uroB-5h8aA:
undetectable		 4uroB-5h8aA:
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.
5hpl RSP5

(Saccharomyces
cerevisiae) 		PF00632
(HECT) 		5 GLU A 763
ASP A 782
ARG A 706
ILE A 762
ILE A 715
 None
 1.37A 4uroB-5hplA:
undetectable		 4uroB-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.
5hy4 RING-OPENING
AMIDOHYDROLASE

(Frankia sp.
Eul1b) 		PF09663
(Amido_AtzD_TrzD) 		5 GLU A 288
ASP A 286
ILE A 356
GLN A 309
ILE A 294
 None
 1.38A 4uroB-5hy4A:
undetectable		 4uroB-5hy4A:
20.98
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.
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
 1.11A 4uroB-5i5lA:
undetectable		 4uroB-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)
 1.29A 4uroB-5idmA:
6.3		 4uroB-5idmA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASN A 945
SER A 944
ARG A 932
PRO A1006
ILE A1007
 None
 0.98A 4uroB-5iy9A:
undetectable		 4uroB-5iy9A:
8.84
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
 0.87A 4uroB-5j5pA:
28.5		 4uroB-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.
5k4p PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 SER A 453
ILE A 446
ASP A 440
GLN A 265
ILE A 269
 None
 1.37A 4uroB-5k4pA:
undetectable		 4uroB-5k4pA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 SER A  96
ASP A  95
ASP A 172
SER A  89
ARG A 173
 None
CLR  A1203 (-3.7A)
None
None
None
 1.15A 4uroB-5l7dA:
undetectable		 4uroB-5l7dA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 4uroB-5mqpA:
undetectable		 4uroB-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.
5o1w PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		5 SER A 469
ILE A 425
PRO A 426
ILE A 334
SER A 438
 None
 1.35A 4uroB-5o1wA:
undetectable		 4uroB-5o1wA:
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.
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
 1.32A 4uroB-5u89A:
undetectable		 4uroB-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.
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
 1.38A 4uroB-5uhpA:
undetectable		 4uroB-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.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		5 SER A  96
ASP A  95
ASP A 172
SER A  89
ARG A 173
 None
 1.16A 4uroB-5v57A:
undetectable		 4uroB-5v57A:
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.
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
 1.38A 4uroB-5vvoA:
undetectable		 4uroB-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
 1.31A 4uroB-5x6nA:
undetectable		 4uroB-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.
5x9y DNA MISMATCH REPAIR
PROTEIN MUTL

(Aquifex
aeolicus) 		no annotation 5 ASN C  26
SER C  27
ASP C  51
ILE C  56
SER C  94
 None
 1.20A 4uroB-5x9yC:
15.9		 4uroB-5x9yC:
23.51
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.
6bpc RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 5 SER A 431
GLU A 204
ARG A 207
ILE A 426
ILE A 325
 None
 1.36A 4uroB-6bpcA:
undetectable		 4uroB-6bpcA:
17.05
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 GLU A 227
ARG A 223
PRO A 466
GLN A 459
ILE A  96
 None
 1.31A 4uroB-6fhwA:
undetectable		 4uroB-6fhwA:
14.04