SIMILAR PATTERNS OF AMINO ACIDS FOR 4URN_C_NOVC2000

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)
 0.60A 4urnC-1aj6A:
28.2		 4urnC-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)
 0.28A 4urnC-1b63A:
14.4		 4urnC-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)
 0.41A 4urnC-1ea6A:
15.4		 4urnC-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
 1.41A 4urnC-1griA:
undetectable		 4urnC-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)
 0.69A 4urnC-1kijA:
28.2		 4urnC-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)
 0.61A 4urnC-1s14A:
25.2		 4urnC-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) 		11 ASN A1042
SER A1043
ASP A1045
GLU A1046
ASP A1069
ARG A1072
MET A1074
PRO A1075
ILE A1090
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
ANP  A1500 ( 3.2A)
None
ANP  A1500 (-3.7A)
 0.80A 4urnC-1s16A:
25.6		 4urnC-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) 		5 ASP A1045
GLU A1046
ASP A1069
ILE A1116
THR A1163
 None
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
ANP  A1500 (-4.1A)
ANP  A1500 (-3.7A)
 1.27A 4urnC-1s16A:
25.6		 4urnC-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
 1.23A 4urnC-1t6sA:
undetectable		 4urnC-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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 SER A 431
ASP A 432
ASP A 429
ILE A 421
THR A 390
 None
 1.36A 4urnC-1we5A:
undetectable		 4urnC-1we5A:
15.34
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.
1y43 ASPERGILLOPEPSIN II
HEAVY CHAIN
ASPERGILLOPEPSIN II
LIGHT CHAIN

(Aspergillus
niger) 		PF01828
(Peptidase_A4) 		5 ASN A   6
SER A   5
ASP B 111
MET B 149
ILE B 108
 SO4  A 202 (-3.6A)
None
None
SO4  A 202 ( 4.9A)
None
 1.34A 4urnC-1y43A:
undetectable		 4urnC-1y43A:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.28A 4urnC-1z5aA:
17.7		 4urnC-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)
 0.73A 4urnC-2iopA:
11.1		 4urnC-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.
2jah CLAVULANIC ACID
DEHYDROGENASE

(Streptomyces
clavuligerus) 		PF00106
(adh_short) 		5 ASP A 219
GLU A 222
ARG A 225
ILE A 183
THR A  23
 None
 1.47A 4urnC-2jahA:
undetectable		 4urnC-2jahA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 4urnC-2jh3A:
undetectable		 4urnC-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
 1.27A 4urnC-2muoA:
undetectable		 4urnC-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
 1.43A 4urnC-2nn6A:
undetectable		 4urnC-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.
2o49 DNA-BINDING PROTEIN
SATB1

(Homo sapiens) 		PF02376
(CUT) 		5 ASP A 381
GLU A 382
ARG A 440
MET A 429
ILE A 375
 None
 1.10A 4urnC-2o49A:
undetectable		 4urnC-2o49A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo sapiens) 		PF00481
(PP2C) 		5 SER A 130
ASP A 204
ASP A 128
MET A 117
ILE A 113
 None
 1.41A 4urnC-2p8eA:
undetectable		 4urnC-2p8eA:
21.09
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.
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
 1.49A 4urnC-2pq0A:
undetectable		 4urnC-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)
 0.39A 4urnC-2xcmA:
11.7		 4urnC-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 4urnC-2xcmA:
11.7		 4urnC-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)
 0.65A 4urnC-2zbkB:
16.3		 4urnC-2zbkB:
17.98
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.
3c7t ECDYSTEROID-PHOSPHAT
E PHOSPHATASE

(Bombyx mori) 		PF00300
(His_Phos_1) 		5 ASN A 191
GLU A 228
ARG A 236
MET A 230
ILE A 286
 None
 1.32A 4urnC-3c7tA:
undetectable		 4urnC-3c7tA:
19.79
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 GLU A 202
ASP A 312
MET A 205
ILE A 193
THR A 326
 None
 1.50A 4urnC-3foaA:
undetectable		 4urnC-3foaA:
17.09
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) 		11 ASN A  42
SER A  43
ASP A  45
GLU A  46
ASP A  69
ARG A  72
MET A  74
PRO A  75
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 (-4.4A)
1EU  A   2 (-4.2A)
1EU  A   2 (-4.5A)
1EU  A   2 (-3.9A)
1EU  A   2 (-3.7A)
 0.64A 4urnC-3fv5A:
28.5		 4urnC-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)
 1.42A 4urnC-3fv5A:
28.5		 4urnC-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.
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)
 0.33A 4urnC-3h4lA:
16.5		 4urnC-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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 GLU U 202
ASP U 312
MET U 205
ILE U 193
THR U 326
 None
 1.50A 4urnC-3j2nU:
undetectable		 4urnC-3j2nU:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.33A 4urnC-3la4A:
undetectable		 4urnC-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)
 0.56A 4urnC-3lpsA:
27.9		 4urnC-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)
 0.34A 4urnC-3o6oA:
11.2		 4urnC-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)
 0.62A 4urnC-3o6oA:
11.2		 4urnC-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.
3qty PHOSPHORIBOSYLAMINOI
MIDAZOLE (AIR)
SYNTHETASE

(Francisella
tularensis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ASP A 112
GLU A 144
PRO A 116
ILE A 118
THR A 142
 None
None
None
None
POP  A 404 ( 4.3A)
 1.26A 4urnC-3qtyA:
undetectable		 4urnC-3qtyA:
23.82
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.
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)
 0.37A 4urnC-3r92A:
11.4		 4urnC-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 4urnC-3r92A:
11.4		 4urnC-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) 		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
 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)
None
087  A   1 (-2.5A)
087  A   1 ( 3.8A)
 0.53A 4urnC-3u2kA:
29.3		 4urnC-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)
 0.82A 4urnC-3u67A:
11.8		 4urnC-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
 0.74A 4urnC-3zkbA:
28.9		 4urnC-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
 0.64A 4urnC-3zkbA:
28.9		 4urnC-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)
 0.59A 4urnC-4b6cA:
24.8		 4urnC-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)
 0.75A 4urnC-4b6cA:
24.8		 4urnC-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.
4c0e NOT1

(Chaetomium
thermophilum) 		PF04054
(Not1) 		5 ASN A1960
GLU A1982
ASP A1979
PRO A1985
ILE A1929
 None
 1.47A 4urnC-4c0eA:
undetectable		 4urnC-4c0eA:
17.27
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
ASP A  54
GLU A  55
ASP A  78
ARG A  81
MET A  83
ILE A  98
ARG A 140
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)
None
0RA  A 301 (-2.5A)
0RA  A 301 ( 3.9A)
 0.82A 4urnC-4em7A:
30.8		 4urnC-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
ASP A  54
GLU A  55
ASP A  78
ARG A  81
MET A  83
PRO A  84
ILE A  98
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)
None
0RA  A 301 ( 3.9A)
 0.73A 4urnC-4em7A:
30.8		 4urnC-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.
4gtn ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Acinetobacter
sp. ADP1) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ASP A  90
GLU A 161
MET A 157
ILE A  87
THR A 160
 None
 1.20A 4urnC-4gtnA:
undetectable		 4urnC-4gtnA:
23.40
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)
 0.29A 4urnC-4hxwA:
31.1		 4urnC-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
PRO A  74
ILE A  89
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 (-4.6A)
CJC  A 401 (-3.6A)
 0.88A 4urnC-4hymA:
27.7		 4urnC-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) 		10 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
MET A  73
PRO A  74
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 ( 4.7A)
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.63A 4urnC-4hymA:
27.7		 4urnC-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)
 0.70A 4urnC-4hz5A:
31.2		 4urnC-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)
 0.74A 4urnC-4hz5A:
31.2		 4urnC-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)
 0.53A 4urnC-4hz5A:
31.2		 4urnC-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)
 0.55A 4urnC-4hz5A:
31.2		 4urnC-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
 1.41A 4urnC-4j8sA:
undetectable		 4urnC-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
 1.43A 4urnC-4ja0A:
undetectable		 4urnC-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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		5 SER A 377
ASP A 201
ARG A 292
MET A 269
THR A 198
 None
 1.43A 4urnC-4r2bA:
undetectable		 4urnC-4r2bA:
21.00
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.
4tlv ADP-RIBOSYLATING
TOXIN CARDS

(Mycoplasma
pneumoniae) 		PF02917
(Pertussis_S1) 		5 ASN A  96
ASP A  99
GLU A  95
ASP A 589
ARG A 124
 None
None
ACT  A 608 (-3.3A)
None
ACT  A 608 ( 4.9A)
 1.42A 4urnC-4tlvA:
undetectable		 4urnC-4tlvA:
16.72
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)
 0.62A 4urnC-4urlA:
32.4		 4urnC-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) 		8 ASN A  49
SER A  50
ASP A  52
GLU A  53
ASP A  76
MET A  81
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)
None
XAM  A2000 (-3.6A)
 0.70A 4urnC-4urlA:
32.4		 4urnC-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)
 0.58A 4urnC-4urmA:
30.0		 4urnC-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)
 0.54A 4urnC-4x9lA:
12.3		 4urnC-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)
 0.83A 4urnC-4x9lA:
12.3		 4urnC-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
 1.32A 4urnC-4y0aA:
undetectable		 4urnC-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)
 0.45A 4urnC-4zviA:
29.7		 4urnC-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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		5 ASN A 390
ASP A 210
ARG A 575
MET A 577
ILE A 513
 None
 1.45A 4urnC-5a2rA:
undetectable		 4urnC-5a2rA:
18.08
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.
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
 1.20A 4urnC-5b04A:
undetectable		 4urnC-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)
 0.83A 4urnC-5j5pA:
30.2		 4urnC-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) 		9 ASN A  51
ASP A  54
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
ARG A 140
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)
None
ANP  A 501 (-3.5A)
 0.92A 4urnC-5j5pA:
30.2		 4urnC-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.
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)
 0.91A 4urnC-5ofbB:
11.3		 4urnC-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
 0.71A 4urnC-5x9yC:
15.5		 4urnC-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.
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
 1.48A 4urnC-6bnpI:
undetectable		 4urnC-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.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 5 SER E1125
ASP E1127
ARG E 526
ILE E1104
THR E 499
 None
 1.42A 4urnC-6c3pE:
undetectable		 4urnC-6c3pE:
15.11