SIMILAR PATTERNS OF AMINO ACIDS FOR 4URO_D_NOVD2000_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) 		8 ASN A  46
GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ILE A  94
THR A 165
 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)
NOV  A   1 ( 4.1A)
 0.43A 4uroD-1aj6A:
28.9		 4uroD-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) 		6 ASN A  33
SER A  34
ASP A  58
ILE A  63
ASP A  66
THR A 143
 MG  A 701 ( 2.5A)
ANP  A 380 ( 3.8A)
ANP  A 380 (-3.6A)
ANP  A 380 (-4.5A)
None
ANP  A 380 (-3.7A)
 0.85A 4uroD-1b63A:
14.9		 4uroD-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.
1ekb ENTEROPEPTIDASE

(Bos taurus) 		PF00089
(Trypsin) 		5 ASN B  75
SER B  74
ASP B 153
ILE B  80
SER B  77
 None
 1.34A 4uroD-1ekbB:
undetectable		 4uroD-1ekbB:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i5a CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c) 		5 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 MN  A 996 ( 2.8A)
ACP  A 998 (-3.7A)
None
ACP  A 998 (-4.3A)
ACP  A 998 (-3.8A)
 1.07A 4uroD-1i5aA:
5.5		 4uroD-1i5aA:
25.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.77A 4uroD-1id0A:
6.0		 4uroD-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) 		10 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
THR A 166
 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)
NOV  A 400 (-3.3A)
 0.40A 4uroD-1kijA:
27.4		 4uroD-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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 ASP A 111
ILE A 107
ILE A 148
SER A 193
THR A 113
 None
 1.20A 4uroD-1pe9A:
undetectable		 4uroD-1pe9A:
19.83
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) 		10 ASN A1042
SER A1043
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ASP A1077
ILE A1090
ARG A1132
THR A1163
 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)
NOV  A1300 ( 4.0A)
 0.50A 4uroD-1s14A:
25.1		 4uroD-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) 		10 ASN A1042
SER A1043
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ASP A1077
ILE A1090
ARG A1132
THR A1163
 ANP  A1500 (-3.2A)
ANP  A1500 ( 4.0A)
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
None
None
ANP  A1500 ( 3.2A)
None
ANP  A1500 (-3.7A)
 0.73A 4uroD-1s16A:
25.2		 4uroD-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.
1tid ANTI-SIGMA F FACTOR

(Geobacillus
stearothermophilus) 		PF13581
(HATPase_c_2) 		5 ASN A  50
ASP A  81
ILE A  86
PRO A  87
THR A 130
 ATP  A 200 ( 2.8A)
ATP  A 200 (-4.0A)
ATP  A 200 (-4.2A)
None
ATP  A 200 (-3.4A)
 0.80A 4uroD-1tidA:
6.5		 4uroD-1tidA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.35A 4uroD-1wacA:
undetectable		 4uroD-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.
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
THR A 170
 MG  A1001 ( 2.6A)
ADP  A2001 ( 3.9A)
ADP  A2001 (-3.7A)
ADP  A2001 (-4.5A)
ADP  A2001 ( 3.9A)
 0.58A 4uroD-1z5aA:
17.6		 4uroD-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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 SER A  43
ASP A  76
ILE A  81
PRO A  82
THR A 170
 ADP  A2001 ( 3.9A)
ADP  A2001 (-3.7A)
ADP  A2001 (-4.5A)
None
ADP  A2001 ( 3.9A)
 0.76A 4uroD-1z5aA:
17.6		 4uroD-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.
2afv COBALAMIN
BIOSYNTHESIS
PRECORRIN ISOMERASE

(Leptospira
interrogans) 		PF02570
(CbiC) 		5 SER A 176
GLU A 150
ARG A 154
ILE A 149
ILE A 123
 None
 1.25A 4uroD-2afvA:
undetectable		 4uroD-2afvA:
23.42
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.
2d04 CURCULIN

(Molineria
latifolia) 		PF01453
(B_lectin) 		5 ASN B  30
ILE B  25
ILE B  64
SER B  43
THR B  24
 None
 1.13A 4uroD-2d04B:
undetectable		 4uroD-2d04B:
21.82
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.
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 4uroD-2lhsA:
undetectable		 4uroD-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.
2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 GLU A 211
ASP A 142
ILE A 145
ILE A 146
THR A  53
 None
 1.38A 4uroD-2nn6A:
undetectable		 4uroD-2nn6A:
19.20
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.
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
 0.91A 4uroD-2pl1A:
undetectable		 4uroD-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.
2q6k CHLORINASE

(Salinispora
tropica) 		PF01887
(SAM_adeno_trans) 		5 SER A 266
ILE A 193
PRO A 194
ILE A 175
ARG A 245
 None
 1.38A 4uroD-2q6kA:
undetectable		 4uroD-2q6kA:
22.76
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.
2qv6 GTP CYCLOHYDROLASE
III

(Methanocaldococcus
jannaschii) 		PF05165
(GCH_III) 		5 SER A  85
GLU A 118
ASP A  10
ARG A  77
ILE A  76
 None
 1.26A 4uroD-2qv6A:
undetectable		 4uroD-2qv6A:
21.58
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 GLU A 190
ARG A 176
ILE A 184
ILE A   6
THR A 186
 None
 1.35A 4uroD-2uzzA:
undetectable		 4uroD-2uzzA:
20.22
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.
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
 1.14A 4uroD-2x75A:
undetectable		 4uroD-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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 782
ILE A 905
ILE A 923
SER A 921
THR A 778
 None
 1.24A 4uroD-2xvgA:
undetectable		 4uroD-2xvgA:
12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 SER B  43
ASP B  76
ILE B  81
PRO B  82
THR B 170
 RDC  B 531 (-3.2A)
RDC  B 531 (-2.9A)
RDC  B 531 (-4.3A)
None
RDC  B 531 (-2.5A)
 0.87A 4uroD-2zbkB:
16.4		 4uroD-2zbkB:
18.63
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.
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
 1.05A 4uroD-3ag6A:
undetectable		 4uroD-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.
3bt6 INFLUENZA B
HEMAGGLUTININ (HA)

(Influenza B
virus) 		PF00509
(Hemagglutinin) 		5 ASP A  64
ILE A  97
PRO A  96
ILE A 243
THR A  91
 None
 1.20A 4uroD-3bt6A:
undetectable		 4uroD-3bt6A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cg1 UPF0100 PROTEIN
PF0080

(Pyrococcus
furiosus) 		PF13531
(SBP_bac_11) 		5 ASN A 137
GLU A 143
ILE A 144
ASP A 149
SER A 136
 None
 1.19A 4uroD-3cg1A:
undetectable		 4uroD-3cg1A:
22.52
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.
3chx PMOA
PMOB
PMOC

(Methylosinus
trichosporium) 		PF02461
(AMO)
PF04744
(Monooxygenase_B)
PF04896
(AmoC) 		5 ARG C 138
ILE C 137
ASP C  52
ILE A 158
THR B 196
 None
 1.30A 4uroD-3chxC:
undetectable		 4uroD-3chxC:
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.
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 4uroD-3dwkA:
undetectable		 4uroD-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
 1.30A 4uroD-3fhoA:
undetectable		 4uroD-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) 		9 ASN A  42
SER A  43
GLU A  46
ASP A  69
ARG A  72
PRO A  75
ILE A  90
ARG A 132
THR A 163
 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)
1EU  A   2 (-3.7A)
 0.62A 4uroD-3fv5A:
27.8		 4uroD-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 SER A  43
GLU A  46
ASP A  69
ARG A  72
PRO A  75
ASP A  77
ARG A 132
THR A 163
 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)
1EU  A   2 (-3.7A)
 0.97A 4uroD-3fv5A:
27.8		 4uroD-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
 1.36A 4uroD-3fw8A:
undetectable		 4uroD-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.
3h4l DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ASN A  65
SER A  66
ASP A  90
ILE A  95
THR A 174
 ANP  A 397 ( 2.6A)
ANP  A 397 ( 4.0A)
ANP  A 397 (-3.6A)
ANP  A 397 (-4.4A)
ANP  A 397 (-3.7A)
 0.55A 4uroD-3h4lA:
16.9		 4uroD-3h4lA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLU A 413
ASP A 412
ILE A 209
ILE A 156
THR A 398
 None
 1.28A 4uroD-3io1A:
undetectable		 4uroD-3io1A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 4uroD-3j2iA:
undetectable		 4uroD-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
 1.12A 4uroD-3jskA:
undetectable		 4uroD-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 4uroD-3l8dA:
undetectable		 4uroD-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
 1.02A 4uroD-3l8dA:
undetectable		 4uroD-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.
3lpm PUTATIVE
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF05175
(MTS) 		5 ASN A 126
ILE A  63
PRO A  64
ILE A  62
THR A 124
 None
 1.26A 4uroD-3lpmA:
undetectable		 4uroD-3lpmA:
23.16
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) 		5 ASN A  86
ASP A 113
ARG A 176
ILE A 134
THR A 207
 NOV  A 901 (-4.0A)
NOV  A 901 (-3.5A)
NOV  A 901 (-2.5A)
NOV  A 901 ( 4.9A)
NOV  A 901 ( 4.2A)
 1.35A 4uroD-3lpsA:
27.1		 4uroD-3lpsA:
30.53
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) 		10 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
THR A 207
 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)
NOV  A 901 ( 4.2A)
 0.49A 4uroD-3lpsA:
27.1		 4uroD-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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 ASN N 285
PRO N 228
ASP N 229
ILE N 303
ARG N 296
 None
 1.35A 4uroD-3rkoN:
undetectable		 4uroD-3rkoN:
17.95
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.
3sju KETO REDUCTASE

(Streptomyces
griseoruber) 		PF00106
(adh_short) 		5 GLU A 172
ILE A 178
ILE A 137
ARG A 130
THR A 176
 None
 1.39A 4uroD-3sjuA:
undetectable		 4uroD-3sjuA:
23.65
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) 		11 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
THR A 173
 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)
087  A   1 ( 3.8A)
 0.40A 4uroD-3u2kA:
31.3		 4uroD-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) 		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
 0.74A 4uroD-3zkbA:
28.4		 4uroD-3zkbA:
39.14
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) 		7 ASN A  52
GLU A  56
ASP A  79
ILE A  84
PRO A  85
ARG A 141
THR A 169
 B5U  A1256 (-3.2A)
B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-4.3A)
B5U  A1256 (-4.2A)
B5U  A1256 ( 4.4A)
B5U  A1256 (-3.6A)
 0.57A 4uroD-4b6cA:
24.6		 4uroD-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) 		7 GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
ARG A 141
THR A 169
 B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-3.4A)
B5U  A1256 (-4.3A)
B5U  A1256 (-4.2A)
B5U  A1256 ( 4.4A)
B5U  A1256 (-3.6A)
 0.34A 4uroD-4b6cA:
24.6		 4uroD-4b6cA:
48.48
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) 		8 ASN A  51
GLU A  55
ASP A  78
ARG A  81
ILE A  98
SER A 124
ARG A 140
THR A 172
 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)
0RA  A 301 ( 3.9A)
 0.67A 4uroD-4em7A:
29.4		 4uroD-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) 		8 ASN A  51
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
SER A 124
THR A 172
 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
0RA  A 301 ( 3.9A)
 0.73A 4uroD-4em7A:
29.4		 4uroD-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.
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
 1.17A 4uroD-4hxeB:
undetectable		 4uroD-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
SER A 129
THR A 174
 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)
1A0  A 301 (-3.2A)
1A0  A 301 (-3.6A)
 0.53A 4uroD-4hxwA:
31.4		 4uroD-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
ILE A  89
ARG A 131
THR A 162
 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)
CJC  A 401 (-3.6A)
 0.50A 4uroD-4hymA:
27.0		 4uroD-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) 		8 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
PRO A  74
ARG A 131
THR A 162
 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 (-4.2A)
CJC  A 401 (-3.6A)
 0.73A 4uroD-4hymA:
27.0		 4uroD-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
ASP A  76
ARG A 131
THR A 162
 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)
CJC  A 401 (-3.6A)
 0.73A 4uroD-4hymA:
27.0		 4uroD-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) 		8 ASN A  49
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ARG A 138
THR A 169
 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)
19Y  A 301 (-3.7A)
 0.54A 4uroD-4hz5A:
29.9		 4uroD-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.
4ja0 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bombyx mori) 		PF00731
(AIRC)
PF01259
(SAICAR_synt) 		5 SER A 144
GLU A 145
ARG A 169
ILE A 160
THR A 131
 SO4  A 502 (-4.6A)
SO4  A 502 (-4.3A)
None
None
None
 1.33A 4uroD-4ja0A:
undetectable		 4uroD-4ja0A:
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASN A3182
SER A3181
ILE A3207
PRO A3208
SER A3141
 None
 1.14A 4uroD-4kc5A:
undetectable		 4uroD-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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ASN A 489
SER A 490
ILE A 447
PRO A 448
ASP A 450
 None
None
None
SO4  A 920 (-3.7A)
None
 1.32A 4uroD-4mn8A:
undetectable		 4uroD-4mn8A:
14.51
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 SER A 331
GLU A 330
ASP A 328
ARG A 367
ILE A 364
 None
 1.35A 4uroD-4oe5A:
undetectable		 4uroD-4oe5A:
18.81
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.
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 4uroD-4qtsA:
undetectable		 4uroD-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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ARG A 285
ILE A 287
PRO A 288
ASP A 290
THR A 324
 None
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
None
ANP  A 402 (-3.6A)
 1.17A 4uroD-4r39A:
5.3		 4uroD-4r39A:
26.34
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ASN A 250
ARG A 285
ILE A 287
PRO A 288
THR A 324
 MG  A 401 ( 2.4A)
None
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
ANP  A 402 (-3.6A)
 1.13A 4uroD-4r39A:
5.3		 4uroD-4r39A:
26.34
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ASN A 250
ASP A 282
ILE A 287
PRO A 288
THR A 324
 MG  A 401 ( 2.4A)
ANP  A 402 (-2.7A)
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
ANP  A 402 (-3.6A)
 0.90A 4uroD-4r39A:
5.3		 4uroD-4r39A:
26.34
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ASP A 282
ILE A 287
PRO A 288
ASP A 290
THR A 324
 ANP  A 402 (-2.7A)
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
None
ANP  A 402 (-3.6A)
 0.88A 4uroD-4r39A:
5.3		 4uroD-4r39A:
26.34
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ARG A 285
ILE A 287
PRO A 288
ASP A 290
THR A 324
 None
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
None
ANP  A 401 ( 4.1A)
 1.19A 4uroD-4r3aA:
4.1		 4uroD-4r3aA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ASN A 250
ARG A 285
ILE A 287
PRO A 288
THR A 324
 MG  A 400 ( 2.5A)
None
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
ANP  A 401 ( 4.1A)
 1.10A 4uroD-4r3aA:
4.1		 4uroD-4r3aA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ASN A 250
ASP A 282
ILE A 287
PRO A 288
THR A 324
 MG  A 400 ( 2.5A)
ANP  A 401 (-3.3A)
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
ANP  A 401 ( 4.1A)
 0.93A 4uroD-4r3aA:
4.1		 4uroD-4r3aA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ASP A 282
ILE A 287
PRO A 288
ASP A 290
THR A 324
 ANP  A 401 (-3.3A)
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
None
ANP  A 401 ( 4.1A)
 1.02A 4uroD-4r3aA:
4.1		 4uroD-4r3aA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgk UNCHARACTERIZED
PROTEIN

(Yersinia pestis) 		PF07350
(DUF1479) 		5 SER A 245
ARG A 304
ILE A 206
ASP A 296
ILE A  10
 None
 1.34A 4uroD-4rgkA:
undetectable		 4uroD-4rgkA:
20.43
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) 		8 ASN A  49
SER A  50
GLU A  53
ASP A  76
ARG A  79
ILE A  96
ARG A 138
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
None
None
XAM  A2000 (-3.6A)
 0.74A 4uroD-4urlA:
29.6		 4uroD-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) 		8 ASN A  49
SER A  50
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
THR A 168
 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
XAM  A2000 (-3.6A)
 0.64A 4uroD-4urlA:
29.6		 4uroD-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) 		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
ARG A 144
THR A 173
 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
None
XAM  A2000 (-3.8A)
 0.82A 4uroD-4urmA:
32.4		 4uroD-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) 		11 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
THR A 173
 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
XAM  A2000 (-3.8A)
 0.49A 4uroD-4urmA:
32.4		 4uroD-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) 		9 ASN A  49
SER A  50
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ARG A 138
THR A 168
 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)
NOV  A2000 (-3.9A)
 0.62A 4uroD-4urnA:
29.9		 4uroD-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.
4xiv CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 ACP  A 601 (-2.9A)
ACP  A 601 (-3.8A)
None
ACP  A 601 ( 4.6A)
ACP  A 601 (-3.9A)
 1.03A 4uroD-4xivA:
3.7		 4uroD-4xivA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 SER A 382
ASP A 381
ILE A 412
ILE A 308
THR A 566
 None
 1.28A 4uroD-4zohA:
undetectable		 4uroD-4zohA:
16.22
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.
4zpm PROTEIN PCDHAC2

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 SER A  44
ILE A  63
ASP A 101
ILE A  96
ARG A  62
 None
None
CA  A 804 ( 2.8A)
None
None
 1.30A 4uroD-4zpmA:
undetectable		 4uroD-4zpmA:
22.78
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) 		9 ASN A  46
GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ILE A  94
ARG A 136
THR A 165
 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
4S4  A 401 ( 3.8A)
 0.44A 4uroD-4zviA:
30.0		 4uroD-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 4uroD-5b7iA:
undetectable		 4uroD-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.
5ch6 FRIGIDA

(Vitis vinifera) 		PF07899
(Frigida) 		5 ASN A 252
ARG A 217
ILE A 246
PRO A 247
ASP A 210
 None
 1.20A 4uroD-5ch6A:
undetectable		 4uroD-5ch6A:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		5 GLU A 628
ARG A 630
ILE A 632
SER A 562
THR A 587
 None
 1.32A 4uroD-5czzA:
undetectable		 4uroD-5czzA:
12.63
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.
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 4uroD-5ew5A:
undetectable		 4uroD-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.
5ghe PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 SER A  71
ILE A  76
PRO A  77
ASP A  79
ILE A 300
 None
 1.32A 4uroD-5gheA:
undetectable		 4uroD-5gheA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		5 GLU A 190
ASP A 185
ARG A 193
SER A 273
THR A 267
 None
None
None
MAW  A 501 ( 2.5A)
None
 1.08A 4uroD-5h71A:
undetectable		 4uroD-5h71A:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 4uroD-5i5lA:
undetectable		 4uroD-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)
 1.20A 4uroD-5idmA:
6.3		 4uroD-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) 		6 ASN A  51
ASP A  78
ARG A 140
ILE A  98
SER A 124
THR A 172
 MG  A 503 ( 2.5A)
ANP  A 501 (-2.6A)
None
ANP  A 501 ( 3.4A)
ANP  A 501 (-3.2A)
ANP  A 501 (-3.5A)
 1.43A 4uroD-5j5pA:
28.4		 4uroD-5j5pA:
40.18
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) 		9 ASN A  51
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
SER A 124
ARG A 140
THR A 172
 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
ANP  A 501 (-3.5A)
 0.76A 4uroD-5j5pA:
28.4		 4uroD-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.
5kuc PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 SER A  71
ILE A  76
PRO A  77
ASP A  79
ILE A 300
 None
 1.35A 4uroD-5kucA:
undetectable		 4uroD-5kucA:
18.95
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.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 5 SER A   1
ASP A  42
ILE A 358
SER A 321
THR A  32
 None
 1.32A 4uroD-5o6vA:
undetectable		 4uroD-5o6vA:
18.23
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.
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
 1.38A 4uroD-5uhkA:
undetectable		 4uroD-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 4uroD-5uhpA:
undetectable		 4uroD-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
 1.37A 4uroD-5vvoA:
undetectable		 4uroD-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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 5 SER A 345
ASP A 379
ILE A 386
ASP A 391
ILE A 358
 None
 1.38A 4uroD-5ww1A:
undetectable		 4uroD-5ww1A:
18.14
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.
5x9y DNA MISMATCH REPAIR
PROTEIN MUTL

(Aquifex
aeolicus) 		no annotation 6 ASN C  26
SER C  27
ASP C  51
ILE C  56
SER C  94
THR C 135
 None
 1.18A 4uroD-5x9yC:
15.9		 4uroD-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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		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 ILE A 985
PRO A 986
ILE A 920
SER A 908
THR A1030
 None
 1.17A 4uroD-5xogA:
undetectable		 4uroD-5xogA:
7.58
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.
6avg T-CELL RECEPTOR
ALPHA VARIABLE 4,TCR
ALPHA CHAIN

(Homo sapiens) 		no annotation 5 SER C  64
ILE C  67
PRO C  68
ASP C  70
ILE C  36
 None
 0.97A 4uroD-6avgC:
undetectable		 4uroD-6avgC:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis) 		no annotation 5 GLU A  91
ASP A  87
ILE A  90
ILE A 400
THR A  89
 None
 1.38A 4uroD-6bk7A:
undetectable		 4uroD-6bk7A:
16.81
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Mus musculus) 		no annotation 5 ASN N 197
ILE N 265
PRO N 262
ILE N 344
THR N 268
 None
 1.26A 4uroD-6g72N:
undetectable		 4uroD-6g72N:
15.95