SIMILAR PATTERNS OF AMINO ACIDS FOR 4URN_A_NOVA2000_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
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 (-4.2A)
NOV  A   1 ( 4.4A)
NOV  A   1 ( 4.1A)
 0.66A 4urnA-1aj6A:
29.1		 4urnA-1aj6A:
52.42
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.
1b63 MUTL

(Escherichia
coli) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ASN A  33
SER A  34
ASP A  36
ASP A  58
THR A 143
 MG  A 701 ( 2.5A)
ANP  A 380 ( 3.8A)
None
ANP  A 380 (-3.6A)
ANP  A 380 (-3.7A)
 0.26A 4urnA-1b63A:
14.3		 4urnA-1b63A:
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.
1ea6 PMS1 PROTEIN HOMOLOG
2

(Homo sapiens) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ASN A  45
SER A  46
ASP A  48
ASP A  70
THR A 155
 MG  A1365 ( 3.0A)
ADP  A1366 ( 3.9A)
None
ADP  A1366 (-3.4A)
ADP  A1366 ( 4.0A)
 0.44A 4urnA-1ea6A:
15.4		 4urnA-1ea6A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gri GROWTH FACTOR BOUND
PROTEIN 2

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		5 SER A  75
ASP A 104
GLU A  71
ARG A  67
ARG A  86
 None
 1.34A 4urnA-1griA:
undetectable		 4urnA-1griA:
20.24
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
ASP A  48
GLU A  49
ASP A  72
ARG A  75
PRO A  78
ILE A  93
ARG A 135
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
NOV  A 400 (-3.3A)
 0.85A 4urnA-1kijA:
27.9		 4urnA-1kijA:
32.07
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) 		11 ASN A1042
SER A1043
ASP A1045
GLU A1046
ASP A1069
ARG A1072
MET A1074
PRO A1075
ILE A1090
ARG A1132
THR A1163
 NOV  A1300 (-3.7A)
NOV  A1300 (-3.6A)
None
NOV  A1300 (-3.7A)
NOV  A1300 (-3.4A)
NOV  A1300 (-3.1A)
NOV  A1300 (-3.7A)
NOV  A1300 (-4.5A)
NOV  A1300 ( 4.6A)
NOV  A1300 (-2.9A)
NOV  A1300 ( 4.0A)
 0.79A 4urnA-1s14A:
24.9		 4urnA-1s14A:
38.33
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
ASP A1045
GLU A1046
ASP A1069
ARG A1072
MET A1074
ILE A1090
THR A1163
 ANP  A1500 (-3.2A)
ANP  A1500 ( 4.0A)
None
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
ANP  A1500 (-4.3A)
ANP  A1500 ( 3.2A)
ANP  A1500 (-3.7A)
 0.97A 4urnA-1s16A:
25.0		 4urnA-1s16A:
30.50
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
ASP A1045
GLU A1046
ASP A1069
ARG A1072
MET A1074
PRO A1075
ARG A1132
THR A1163
 ANP  A1500 (-3.2A)
ANP  A1500 ( 4.0A)
None
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
ANP  A1500 (-4.3A)
None
None
ANP  A1500 (-3.7A)
 0.83A 4urnA-1s16A:
25.0		 4urnA-1s16A:
30.50
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) 		6 ASP A1045
GLU A1046
ARG A1072
MET A1074
ILE A1116
THR A1163
 None
ANP  A1500 (-3.7A)
None
ANP  A1500 (-4.3A)
ANP  A1500 (-4.1A)
ANP  A1500 (-3.7A)
 1.37A 4urnA-1s16A:
25.0		 4urnA-1s16A:
30.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t6s CONSERVED
HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF04079
(SMC_ScpB) 		5 ASN A  49
ASP A  46
GLU A  47
ASP A  51
ARG A   5
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.14A 4urnA-1t6sA:
undetectable		 4urnA-1t6sA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t6s CONSERVED
HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF04079
(SMC_ScpB) 		5 ASP A  46
GLU A  47
ASP A  51
ARG A   5
ILE A  16
 NO3  A 407 ( 4.9A)
None
None
None
None
 1.17A 4urnA-1t6sA:
undetectable		 4urnA-1t6sA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v2d GLUTAMINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 ASN A 159
ASP A 191
GLU A 192
ARG A 205
PRO A 203
 PLP  A 510 (-3.3A)
PLP  A 510 (-2.7A)
None
None
None
 1.46A 4urnA-1v2dA:
undetectable		 4urnA-1v2dA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 ASP A 453
ASP A 327
PRO A 333
ARG A 109
THR A 330
 None
 1.43A 4urnA-1wacA:
undetectable		 4urnA-1wacA:
18.25
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.
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  45
ASP A  76
THR A 170
 MG  A1001 ( 2.6A)
ADP  A2001 ( 3.9A)
None
ADP  A2001 (-3.7A)
ADP  A2001 ( 3.9A)
 0.32A 4urnA-1z5aA:
17.5		 4urnA-1z5aA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  38
ASP A  41
ASP A  80
MET A  85
THR A 174
 ADP  A1001 (-3.9A)
None
ADP  A1001 (-3.9A)
ADP  A1001 (-3.7A)
ADP  A1001 (-3.4A)
 0.64A 4urnA-2iopA:
11.4		 4urnA-2iopA:
15.99
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 SER A  73
GLU A  74
ARG A 112
PRO A  93
THR A  78
 None
 1.38A 4urnA-2jh3A:
undetectable		 4urnA-2jh3A:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2muo SECRETED
LY-6/UPAR-RELATED
PROTEIN 1

(Homo sapiens) 		PF00021
(UPAR_LY6) 		5 SER A 153
ASP A 125
MET A 129
ILE A 169
ARG A 149
 None
 1.41A 4urnA-2muoA:
undetectable		 4urnA-2muoA:
14.22
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.
2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ASN A 144
GLU A 211
ASP A 142
ILE A 146
THR A  53
 None
 1.41A 4urnA-2nn6A:
undetectable		 4urnA-2nn6A:
16.48
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.
2pq0 HYPOTHETICAL
CONSERVED PROTEIN
GK1056

(Geobacillus
kaustophilus) 		PF08282
(Hydrolase_3) 		5 SER A 112
ASP A 134
ILE A 143
ARG A  88
THR A  91
 None
 1.35A 4urnA-2pq0A:
undetectable		 4urnA-2pq0A:
20.60
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.
2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90

(Hordeum vulgare) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ADP  A1211 ( 2.6A)
ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
 0.34A 4urnA-2xcmA:
11.9		 4urnA-2xcmA:
23.90
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.
2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90

(Hordeum vulgare) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
ADP  A1211 (-3.4A)
 0.69A 4urnA-2xcmA:
11.9		 4urnA-2xcmA:
23.90
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.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 ASN B  42
SER B  43
ASP B  45
ASP B  76
THR B 170
 RDC  B 531 ( 4.1A)
RDC  B 531 (-3.2A)
None
RDC  B 531 (-2.9A)
RDC  B 531 (-2.5A)
 0.67A 4urnA-2zbkB:
16.1		 4urnA-2zbkB:
17.98
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
ASP A  45
GLU A  46
ASP A  69
ARG A  72
ILE A  90
ARG A 132
THR A 163
 1EU  A   2 (-4.9A)
1EU  A   2 (-3.0A)
None
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.5A)
1EU  A   2 (-3.9A)
1EU  A   2 (-3.7A)
 0.81A 4urnA-3fv5A:
28.1		 4urnA-3fv5A:
45.85
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) 		10 ASN A  42
SER A  43
ASP A  45
GLU A  46
ASP A  69
ARG A  72
MET A  74
PRO A  75
ARG A 132
THR A 163
 1EU  A   2 (-4.9A)
1EU  A   2 (-3.0A)
None
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.4A)
1EU  A   2 (-4.2A)
1EU  A   2 (-3.9A)
1EU  A   2 (-3.7A)
 0.66A 4urnA-3fv5A:
28.1		 4urnA-3fv5A:
45.85
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) 		5 ASP A  45
GLU A  46
ASP A  69
ILE A 116
THR A 163
 None
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
None
1EU  A   2 (-3.7A)
 1.31A 4urnA-3fv5A:
28.1		 4urnA-3fv5A:
45.85
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.
3gbh NAD(P)H-FLAVIN
OXIDOREDUCTASE

(Staphylococcus
epidermidis) 		PF00881
(Nitroreductase) 		5 ASP A  35
GLU A  36
ILE A 190
ARG A   6
THR A 152
 None
 1.40A 4urnA-3gbhA:
undetectable		 4urnA-3gbhA:
18.53
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.
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  68
ASP A  90
THR A 174
 ANP  A 397 ( 2.6A)
ANP  A 397 ( 4.0A)
None
ANP  A 397 (-3.6A)
ANP  A 397 (-3.7A)
 0.27A 4urnA-3h4lA:
16.5		 4urnA-3h4lA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP A 633
ARG A 639
ILE A 615
ARG A 646
THR A 571
 PO4  A 843 ( 2.5A)
None
None
None
None
 1.36A 4urnA-3la4A:
undetectable		 4urnA-3la4A:
14.01
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) 		11 ASN A  86
SER A  87
ASP A  89
GLU A  90
ASP A 113
ARG A 116
MET A 118
PRO A 119
ILE A 134
ARG A 176
THR A 207
 NOV  A 901 (-4.0A)
NOV  A 901 (-3.3A)
NOV  A 901 ( 4.8A)
NOV  A 901 (-3.8A)
NOV  A 901 (-3.5A)
NOV  A 901 (-3.4A)
NOV  A 901 (-3.7A)
NOV  A 901 (-4.5A)
NOV  A 901 ( 4.9A)
NOV  A 901 (-2.5A)
NOV  A 901 ( 4.2A)
 0.69A 4urnA-3lpsA:
27.9		 4urnA-3lpsA:
30.05
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.
3o6o HEAT SHOCK PROTEIN
83

(Trypanosoma
brucei) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  36
SER A  37
ASP A  39
ASP A  78
THR A 169
 94M  A 214 (-4.1A)
94M  A 214 (-3.6A)
None
94M  A 214 (-3.4A)
94M  A 214 (-3.8A)
 0.37A 4urnA-3o6oA:
11.4		 4urnA-3o6oA:
25.48
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.
3o6o HEAT SHOCK PROTEIN
83

(Trypanosoma
brucei) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  37
ASP A  39
ASP A  78
MET A  83
THR A 169
 94M  A 214 (-3.6A)
None
94M  A 214 (-3.4A)
94M  A 214 (-3.4A)
94M  A 214 (-3.8A)
 0.67A 4urnA-3o6oA:
11.4		 4urnA-3o6oA:
25.48
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.
3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  51
SER A  52
ASP A  54
ASP A  93
THR A 184
 06J  A   1 (-4.1A)
06J  A   1 ( 3.7A)
None
06J  A   1 (-3.5A)
06J  A   1 (-3.7A)
 0.38A 4urnA-3r92A:
11.7		 4urnA-3r92A:
27.03
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.
3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  52
ASP A  54
ASP A  93
MET A  98
THR A 184
 06J  A   1 ( 3.7A)
None
06J  A   1 (-3.5A)
06J  A   1 (-3.7A)
06J  A   1 (-3.7A)
 0.68A 4urnA-3r92A:
11.7		 4urnA-3r92A:
27.03
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) 		9 ASN A  54
SER A  55
ASP A  57
GLU A  58
ASP A  81
ARG A  84
PRO A  87
ARG A 144
THR A 173
 087  A   1 (-3.9A)
087  A   1 (-3.3A)
MG  A 234 ( 4.8A)
087  A   1 (-3.4A)
087  A   1 (-3.5A)
087  A   1 (-3.8A)
087  A   1 (-4.3A)
087  A   1 (-2.5A)
087  A   1 ( 3.8A)
 0.66A 4urnA-3u2kA:
29.6		 4urnA-3u2kA:
50.66
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) 		9 ASN A  54
SER A  55
GLU A  58
ASP A  81
ARG A  84
PRO A  87
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 (-4.3A)
None
087  A   1 (-2.5A)
087  A   1 ( 3.8A)
 0.65A 4urnA-3u2kA:
29.6		 4urnA-3u2kA:
50.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u67 HEAT SHOCK PROTEIN
83-1

(Leishmania
major) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  36
ASP A  39
ASP A  78
MET A  83
THR A 169
 MG  A 215 ( 2.5A)
None
ADP  A 214 (-3.6A)
ADP  A 214 (-3.5A)
ADP  A 214 (-3.6A)
 0.75A 4urnA-3u67A:
11.9		 4urnA-3u67A:
22.76
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
ASP A  55
GLU A  56
ASP A  79
ARG A  82
PRO A  85
 ANP  A 601 ( 2.6A)
None
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
None
 0.91A 4urnA-3zkbA:
28.4		 4urnA-3zkbA:
38.34
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
ASP A  55
GLU A  56
ASP A  79
PRO A  85
ARG A 141
 ANP  A 601 ( 2.6A)
None
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
None
 0.69A 4urnA-3zkbA:
28.4		 4urnA-3zkbA:
38.34
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
ASP A  55
GLU A  56
ASP A  79
PRO A  85
ARG A 141
THR A 169
 B5U  A1256 (-3.2A)
None
B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-4.2A)
B5U  A1256 ( 4.4A)
B5U  A1256 (-3.6A)
 0.70A 4urnA-4b6cA:
24.4		 4urnA-4b6cA:
46.64
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 ASP A  55
GLU A  56
ASP A  79
ARG A  82
PRO A  85
ARG A 141
THR A 169
 None
B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-3.4A)
B5U  A1256 (-4.2A)
B5U  A1256 ( 4.4A)
B5U  A1256 (-3.6A)
 0.86A 4urnA-4b6cA:
24.4		 4urnA-4b6cA:
46.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		5 ASN A 265
SER A  59
GLU A  60
ARG A 439
ILE A 364
 None
 1.32A 4urnA-4e4jA:
undetectable		 4urnA-4e4jA:
21.68
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
ASP A  54
GLU A  55
ASP A  78
ARG A  81
MET A  83
PRO A  84
THR A 172
 0RA  A 301 (-4.7A)
None
0RA  A 301 (-3.4A)
0RA  A 301 (-3.6A)
0RA  A 301 ( 3.8A)
0RA  A 301 ( 4.4A)
0RA  A 301 ( 4.8A)
0RA  A 301 ( 3.9A)
 0.81A 4urnA-4em7A:
30.8		 4urnA-4em7A:
68.12
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) 		9 ASN A  51
GLU A  55
ASP A  78
ARG A  81
MET A  83
PRO A  84
ILE A  98
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)
0RA  A 301 ( 4.4A)
0RA  A 301 ( 4.8A)
None
0RA  A 301 (-2.5A)
0RA  A 301 ( 3.9A)
 0.92A 4urnA-4em7A:
30.8		 4urnA-4em7A:
68.12
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.
4gqt HEAT SHOCK PROTEIN
90

(Caenorhabditis
elegans) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  39
ASP A  42
ASP A  81
MET A  86
THR A 172
 ZN  A 501 ( 2.5A)
None
ADP  A 500 (-3.7A)
ADP  A 500 (-3.4A)
ADP  A 500 (-3.7A)
 0.79A 4urnA-4gqtA:
12.0		 4urnA-4gqtA:
26.17
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) 		8 ASN A  55
SER A  56
ASP A  58
GLU A  59
ASP A  82
ARG A  85
PRO A  88
THR A 174
 1A0  A 301 (-3.8A)
1A0  A 301 (-3.3A)
None
1A0  A 301 (-3.2A)
1A0  A 301 (-3.4A)
1A0  A 301 (-3.5A)
1A0  A 301 (-4.2A)
1A0  A 301 (-3.6A)
 0.35A 4urnA-4hxwA:
31.0		 4urnA-4hxwA:
55.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		8 ASN A  41
SER A  42
ASP A  44
ASP A  68
MET A  73
ILE A  89
ARG A 131
THR A 162
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.1A)
None
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.80A 4urnA-4hymA:
27.5		 4urnA-4hymA:
31.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		8 ASN A  41
SER A  42
ASP A  44
ASP A  68
MET A  73
PRO A  74
ARG A 131
THR A 162
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.1A)
None
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.7A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.83A 4urnA-4hymA:
27.5		 4urnA-4hymA:
31.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
MET A  73
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 (-3.3A)
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.66A 4urnA-4hymA:
27.5		 4urnA-4hymA:
31.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
MET A  73
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 (-3.3A)
CJC  A 401 ( 4.7A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.66A 4urnA-4hymA:
27.5		 4urnA-4hymA:
31.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 SER A  42
GLU A  45
ASP A  68
ARG A  71
ILE A  86
 CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
None
 0.92A 4urnA-4hymA:
27.5		 4urnA-4hymA:
31.16
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
ASP A  52
ASP A  76
MET A  81
PRO A  82
ARG A 138
THR A 169
 19Y  A 301 (-3.8A)
None
19Y  A 301 (-3.3A)
19Y  A 301 (-3.7A)
19Y  A 301 (-4.0A)
19Y  A 301 ( 4.8A)
19Y  A 301 (-3.7A)
 0.63A 4urnA-4hz5A:
30.9		 4urnA-4hz5A:
67.70
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
ASP A  52
ASP A  76
PRO A  82
ILE A  96
ARG A 138
THR A 169
 19Y  A 301 (-3.8A)
None
19Y  A 301 (-3.3A)
19Y  A 301 (-4.0A)
19Y  A 301 ( 4.7A)
19Y  A 301 ( 4.8A)
19Y  A 301 (-3.7A)
 0.72A 4urnA-4hz5A:
30.9		 4urnA-4hz5A:
67.70
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
MET A  81
PRO A  82
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 (-3.7A)
19Y  A 301 (-4.0A)
19Y  A 301 ( 4.8A)
19Y  A 301 (-3.7A)
 0.59A 4urnA-4hz5A:
30.9		 4urnA-4hz5A:
67.70
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)
 0.64A 4urnA-4hz5A:
30.9		 4urnA-4hz5A:
67.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j8s CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF16417
(CNOT1_TTP_bind) 		5 ASN A 839
SER A 840
ASP A 836
GLU A 837
ARG A 873
 None
 1.32A 4urnA-4j8sA:
undetectable		 4urnA-4j8sA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.46A 4urnA-4ja0A:
undetectable		 4urnA-4ja0A:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		5 ASN A  41
SER A  44
ASP A  43
ASP A 333
THR A 334
 GOL  A 503 (-4.4A)
None
GOL  A 503 (-2.9A)
None
None
 1.35A 4urnA-4k7cA:
undetectable		 4urnA-4k7cA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 SER A 285
GLU A 284
ASP A 283
ARG A 296
ILE A 326
 None
 1.37A 4urnA-4umvA:
undetectable		 4urnA-4umvA:
15.14
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) 		10 ASN A  49
SER A  50
ASP A  52
GLU A  53
ASP A  76
ARG A  79
MET A  81
PRO A  82
ILE A  96
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.4A)
None
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
XAM  A2000 (-4.3A)
XAM  A2000 (-4.8A)
None
XAM  A2000 (-3.6A)
 0.76A 4urnA-4urlA:
32.8		 4urnA-4urlA:
100.00
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) 		10 ASN A  49
SER A  50
ASP A  52
GLU A  53
ASP A  76
MET A  81
PRO A  82
ILE A  96
ARG A 138
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.4A)
None
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-4.3A)
XAM  A2000 (-4.8A)
None
None
XAM  A2000 (-3.6A)
 0.79A 4urnA-4urlA:
32.8		 4urnA-4urlA:
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
ASP A  57
GLU A  58
ASP A  81
ARG A  84
PRO A  87
ILE A 102
ARG A 144
THR A 173
 XAM  A2000 (-3.7A)
XAM  A2000 (-3.3A)
None
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 ( 4.9A)
XAM  A2000 (-4.5A)
None
XAM  A2000 (-3.8A)
 0.60A 4urnA-4urmA:
30.3		 4urnA-4urmA:
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.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ACP  A 301 (-2.7A)
ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.8A)
 0.50A 4urnA-4x9lA:
12.7		 4urnA-4x9lA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.4A)
ACP  A 301 (-3.8A)
 0.84A 4urnA-4x9lA:
12.7		 4urnA-4x9lA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0a SHIKIMATE KINASE

(Acinetobacter
baumannii) 		PF01202
(SKI) 		5 SER A  49
GLU A  52
ASP A  48
ARG A  55
ILE A  64
 None
 1.29A 4urnA-4y0aA:
undetectable		 4urnA-4y0aA:
20.63
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
ASP A  49
GLU A  50
ASP A  73
ARG A  76
PRO A  79
ILE A  94
ARG A 136
THR A 165
 4S4  A 401 (-4.3A)
None
4S4  A 401 (-3.1A)
4S4  A 401 (-3.4A)
4S4  A 401 (-2.8A)
4S4  A 401 (-4.5A)
None
None
4S4  A 401 ( 3.8A)
 0.58A 4urnA-4zviA:
30.1		 4urnA-4zviA:
39.58
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.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 SER A 246
GLU A 245
ASP A 322
ARG A 122
ILE A  40
 None
PO4  A 401 ( 4.3A)
None
None
None
 1.13A 4urnA-5b04A:
undetectable		 4urnA-5b04A:
18.68
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
ASP A  54
GLU A  55
ASP A  78
ARG A  81
MET A  83
PRO A  84
ARG A 140
THR A 172
 MG  A 503 ( 2.5A)
None
ANP  A 501 (-3.2A)
ANP  A 501 (-2.6A)
None
ANP  A 501 (-4.7A)
None
None
ANP  A 501 (-3.5A)
 0.92A 4urnA-5j5pA:
30.3		 4urnA-5j5pA:
40.00
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
ASP A  54
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
THR A 172
 MG  A 503 ( 2.5A)
None
ANP  A 501 (-3.2A)
ANP  A 501 (-2.6A)
None
None
ANP  A 501 ( 3.4A)
ANP  A 501 (-3.5A)
 1.11A 4urnA-5j5pA:
30.3		 4urnA-5j5pA:
40.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 5 ASN A 720
SER A 718
ASP A 680
ILE A 612
THR A 603
 None
 1.41A 4urnA-5ngyA:
undetectable		 4urnA-5ngyA:
10.53
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 ASN B  39
ASP B  42
ASP B  68
MET B  73
THR B 197
 MG  B 703 ( 2.7A)
None
ATP  B 702 (-3.4A)
ATP  B 702 (-3.6A)
ATP  B 702 (-3.7A)
 0.81A 4urnA-5ofbB:
11.4		 4urnA-5ofbB:
13.12
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.
5x9y DNA MISMATCH REPAIR
PROTEIN MUTL

(Aquifex
aeolicus) 		no annotation 5 ASN C  26
SER C  27
ASP C  29
ASP C  51
THR C 135
 None
 0.72A 4urnA-5x9yC:
15.2		 4urnA-5x9yC:
21.43
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.
5xz3 PEPTIDOGLYCAN-RECOGN
ITION PROTEIN

(Apis mellifera) 		no annotation 5 ASN A  53
SER A  52
GLU A  55
ARG A  58
ARG A  13
 None
 1.42A 4urnA-5xz3A:
undetectable		 4urnA-5xz3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 5 ASN I  62
ASP I  61
GLU I  60
ASP I  58
ILE I  95
 None
 1.46A 4urnA-6bnpI:
undetectable		 4urnA-6bnpI:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fc3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 171
GLU A 170
PRO A 198
ILE A 211
THR A 167
 None
 0.92A 4urnA-6fc3A:
undetectable		 4urnA-6fc3A:
17.20