SIMILAR PATTERNS OF AMINO ACIDS FOR 4HVC_B_HFGB1602

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0k UDP-N-ACETYLGLUCOSAM
INE-N-ACETYLMURAMYL-
(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE


(Escherichia
coli)
PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C)
5 LEU A 198
PHE A 282
VAL A 280
THR A  16
GLY A  17
None
1.24A 4hvcB-1f0kA:
4.8
4hvcB-1f0kA:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
9 LEU A  77
PRO A 110
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
SER A 258
GLY A 260
None
0.69A 4hvcB-1hc7A:
46.8
4hvcB-1hc7A:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
6 LEU A  91
GLU A 144
TRP A 158
GLU A 160
THR A 228
GLY A 260
None
1.10A 4hvcB-1hc7A:
46.8
4hvcB-1hc7A:
43.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jn0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A


(Spinacia
oleracea)
no annotation 5 LEU O 267
PHE O 157
VAL O 160
THR O 208
SER O 148
None
None
None
SO4  O6337 (-3.4A)
SO4  O6337 (-3.5A)
1.17A 4hvcB-1jn0O:
5.3
4hvcB-1jn0O:
20.31
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.
1jsd HAEMAGGLUTININ (HA1
CHAIN)


(Influenza A
virus)
PF00509
(Hemagglutinin)
5 LEU A 233
VAL A 235
PRO A 244
HIS A 248
GLY A  63
None
1.23A 4hvcB-1jsdA:
undetectable
4hvcB-1jsdA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lgy TRIACYLGLYCEROL
LIPASE


(Rhizopus niveus)
PF01764
(Lipase_3)
5 LEU A 152
GLU A 190
VAL A 189
PRO A 219
SER A 245
None
1.23A 4hvcB-1lgyA:
undetectable
4hvcB-1lgyA:
19.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
5 GLU A 150
HIS A 170
PHE A 212
THR A 235
GLY A 267
5CA  A 512 (-4.1A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
0.94A 4hvcB-1nj1A:
44.2
4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
6 GLU A 150
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
5CA  A 512 (-4.1A)
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
0.91A 4hvcB-1nj1A:
44.2
4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
7 LEU A  83
GLU A  96
VAL A  97
HIS A 170
PHE A 212
THR A 235
GLY A 267
None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
0.99A 4hvcB-1nj1A:
44.2
4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
8 LEU A  83
GLU A  96
VAL A  97
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
None
None
None
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
0.52A 4hvcB-1nj1A:
44.2
4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
5 PHE A  93
GLU A  96
VAL A  97
THR A 235
GLY A 267
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
1.29A 4hvcB-1nj1A:
44.2
4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
5 LEU A  67
GLU A  80
VAL A  81
PRO A 100
PHE A 196
None
1.05A 4hvcB-1nj8A:
42.7
4hvcB-1nj8A:
36.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
7 LEU A  67
VAL A  81
PRO A 100
GLU A 152
HIS A 154
THR A 219
GLY A 251
None
0.37A 4hvcB-1nj8A:
42.7
4hvcB-1nj8A:
36.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
5 LEU A  67
VAL A  81
PRO A 100
HIS A 154
PHE A 196
None
0.91A 4hvcB-1nj8A:
42.7
4hvcB-1nj8A:
36.67
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.
1omo ALANINE
DEHYDROGENASE


(Archaeoglobus
fulgidus)
PF02423
(OCD_Mu_crystall)
5 LEU A   6
GLU A 306
VAL A 304
THR A  92
GLY A  93
LEU  A   6 ( 0.6A)
GLU  A 306 ( 0.6A)
VAL  A 304 ( 0.6A)
THR  A  92 ( 0.8A)
GLY  A  93 ( 0.0A)
1.19A 4hvcB-1omoA:
undetectable
4hvcB-1omoA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN


(Homo sapiens)
PF02138
(Beach)
PF14844
(PH_BEACH)
5 LEU A2097
VAL A2176
THR A2231
SER A2236
GLY A2234
None
0.86A 4hvcB-1t77A:
undetectable
4hvcB-1t77A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE


(Thermus
thermophilus)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
5 LEU A 129
GLU A 443
HIS A 230
THR A 276
GLY A 441
None
1.33A 4hvcB-1v26A:
undetectable
4hvcB-1v26A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb3 THREONINE SYNTHASE

(Escherichia
coli)
PF00291
(PALP)
PF14821
(Thr_synth_N)
5 LEU A 394
PHE A 382
VAL A 386
GLU A  97
HIS A 100
None
1.25A 4hvcB-1vb3A:
undetectable
4hvcB-1vb3A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x2w COAGULATION FACTOR
IX/X-BINDING PROTEIN
A CHAIN
COAGULATION FACTOR
IX/FACTOR X-BINDING
PROTEIN B CHAIN


(Protobothrops
flavoviridis;
Protobothrops
flavoviridis)
PF00059
(Lectin_C)
PF00059
(Lectin_C)
5 GLU A  82
VAL A  89
GLU B 120
THR B  31
GLY B  37
None
1.14A 4hvcB-1x2wA:
undetectable
4hvcB-1x2wA:
14.15
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.
2b2x ANTIBODY AQC2 FAB
ANTIBODY AQC2 FAB


(Mus musculus;
Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set)
5 LEU L   4
VAL L  29
THR H  33
SER H  35
GLY H  98
None
1.25A 4hvcB-2b2xL:
undetectable
4hvcB-2b2xL:
15.91
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.
2bkd FRAGILE X MENTAL
RETARDATION 1
PROTEIN


(Homo sapiens)
PF05641
(Agenet)
5 LEU N 112
GLU N  64
VAL N  84
PHE N  15
GLY N  13
None
1.21A 4hvcB-2bkdN:
undetectable
4hvcB-2bkdN:
12.68
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.
2dgk GLUTAMATE
DECARBOXYLASE BETA


(Escherichia
coli)
PF00282
(Pyridoxal_deC)
5 VAL A 205
PRO A 207
PHE A 188
THR A 214
GLY A 215
None
1.28A 4hvcB-2dgkA:
undetectable
4hvcB-2dgkA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A


(Archaeoglobus
fulgidus)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
5 LEU A 180
GLU A 483
VAL A 481
TRP A 572
HIS A 576
None
1.25A 4hvcB-2fjaA:
3.2
4hvcB-2fjaA:
22.64
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
5 LEU A 105
GLU A  92
PRO A 108
SER A 315
GLY A 317
None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
1.25A 4hvcB-2i4nA:
28.8
4hvcB-2i4nA:
23.74
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.
2iu4 DIHYDROXYACETONE
KINASE


(Lactococcus
lactis)
PF02733
(Dak1)
5 PHE A 288
VAL A 310
GLU A 164
THR A 323
GLY A  65
None
None
None
None
SO4  A1373 (-3.9A)
1.17A 4hvcB-2iu4A:
undetectable
4hvcB-2iu4A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rf4 DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4
DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4


(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae)
PF03876
(SHS2_Rpb7-N)
PF08203
(RNA_polI_A14)
5 LEU A 133
PHE A 153
VAL A 245
PRO A 127
HIS B  30
None
1.22A 4hvcB-2rf4A:
undetectable
4hvcB-2rf4A:
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.
2wae PENICILLIN-BINDING
PROTEIN 2B


(Streptococcus
pneumoniae)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
5 LEU A 197
VAL A 104
GLU A 240
SER A 239
GLY A 243
None
1.35A 4hvcB-2waeA:
undetectable
4hvcB-2waeA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE


(Saccharopolyspora
erythraea)
PF00067
(p450)
5 LEU B 192
VAL B 126
GLU B 292
THR B 277
GLY B 290
None
1.30A 4hvcB-2yjnB:
undetectable
4hvcB-2yjnB:
22.82
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.
3aiz DNA POLYMERASE
SLIDING CLAMP B


(Sulfurisphaera
tokodaii)
PF00705
(PCNA_N)
PF02747
(PCNA_C)
5 LEU A  20
PHE A 209
VAL A 211
THR A 170
GLY A 154
None
1.26A 4hvcB-3aizA:
undetectable
4hvcB-3aizA:
17.90
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.
3bqy PUTATIVE TETR FAMILY
TRANSCRIPTIONAL
REGULATOR


(Streptomyces
coelicolor)
PF00440
(TetR_N)
PF02909
(TetR_C)
5 PHE A 124
VAL A 129
PHE A 111
THR A 157
GLY A 155
None
1.23A 4hvcB-3bqyA:
undetectable
4hvcB-3bqyA:
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE


(Rhodobacter
sphaeroides)
PF04952
(AstE_AspA)
5 LEU A  30
VAL A 108
PRO A  97
THR A  58
GLY A  59
None
1.18A 4hvcB-3cdxA:
undetectable
4hvcB-3cdxA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD


(Bacillus
anthracis)
no annotation 5 GLU L  60
PRO L  56
GLU L  87
HIS L  89
GLY L  84
None
1.26A 4hvcB-3g9kL:
undetectable
4hvcB-3g9kL:
20.82
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus)
PF01979
(Amidohydro_1)
5 LEU A 259
GLU A 253
VAL A 254
PHE A  84
GLY A 365
None
1.15A 4hvcB-3griA:
undetectable
4hvcB-3griA:
24.14
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1


(Pseudomonas
aeruginosa)
PF05567
(Neisseria_PilC)
5 LEU A 849
PHE A 873
VAL A 804
PRO A 847
GLY A 868
None
1.32A 4hvcB-3hx6A:
undetectable
4hvcB-3hx6A:
23.14
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA


(Moorella
thermoacetica)
PF03063
(Prismane)
5 GLU A 611
VAL A 610
PRO A 608
SER A 480
GLY A 475
None
1.13A 4hvcB-3i04A:
undetectable
4hvcB-3i04A:
22.60
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.
3i7j BETA-LACTAMASE
MB2281C


(Mycobacterium
bovis)
PF00144
(Beta-lactamase)
5 LEU A  61
VAL A  54
HIS A  78
THR A  42
GLY A 146
None
1.34A 4hvcB-3i7jA:
undetectable
4hvcB-3i7jA:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE


(Giardia
intestinalis)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
7 LEU A 112
GLU A 125
PRO A 145
TRP A 194
GLU A 196
HIS A 198
GLY A 296
None
None
None
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
0.42A 4hvcB-3ialA:
43.4
4hvcB-3ialA:
32.91
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.
3j15 PROTEIN PELOTA

(Pyrococcus
furiosus)
PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3)
5 LEU A 124
GLU A   6
VAL A  13
GLU A  18
GLY A 155
None
1.34A 4hvcB-3j15A:
undetectable
4hvcB-3j15A:
23.12
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.
3k2b GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A, CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
5 LEU A 267
PHE A 157
VAL A 160
THR A 208
SER A 148
None
None
None
SO4  A 337 (-3.4A)
SO4  A 337 (-3.1A)
1.20A 4hvcB-3k2bA:
3.7
4hvcB-3k2bA:
23.85
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE


(Saccharomyces
cerevisiae)
PF03074
(GCS)
5 LEU A 596
VAL A 566
TRP A  47
PHE A 474
GLY A  48
None
None
None
None
ADP  A 694 (-3.6A)
1.26A 4hvcB-3lvvA:
undetectable
4hvcB-3lvvA:
20.14
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE


(Pseudomonas
aeruginosa)
PF01979
(Amidohydro_1)
5 LEU A 255
VAL A 261
HIS A 269
PHE A 119
GLY A 318
None
1.20A 4hvcB-3mduA:
undetectable
4hvcB-3mduA:
21.50
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.
3mkr COATOMER SUBUNIT
EPSILON


(Bos taurus)
PF04733
(Coatomer_E)
5 LEU A  81
PHE A  55
GLU A  51
VAL A  50
SER A 125
None
1.27A 4hvcB-3mkrA:
undetectable
4hvcB-3mkrA:
20.82
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis)
PF01979
(Amidohydro_1)
5 LEU A 260
GLU A 254
VAL A 255
PHE A  85
GLY A 366
None
1.18A 4hvcB-3mpgA:
undetectable
4hvcB-3mpgA:
22.36
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.
3ofl L1

(Alphapapillomavirus
7)
PF00500
(Late_protein_L1)
5 LEU A 445
VAL A 194
PRO A 163
HIS A 326
SER A 398
None
1.32A 4hvcB-3oflA:
undetectable
4hvcB-3oflA:
21.38
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.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN


(Salmonella
enterica)
PF00291
(PALP)
5 LEU B  25
VAL B  17
PRO B 194
PHE B   9
GLY B 234
None
None
None
None
7MN  B   2 (-3.4A)
1.32A 4hvcB-3pr2B:
undetectable
4hvcB-3pr2B:
21.77
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M


(Escherichia
coli;
Escherichia
coli)
no annotation
no annotation
5 PHE L 171
VAL L 176
GLU M 407
HIS M 322
THR M 401
None
1.19A 4hvcB-3rkoL:
undetectable
4hvcB-3rkoL:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
5 LEU B3141
PHE B2970
GLU B3068
THR B3212
GLY B3238
None
1.16A 4hvcB-4bedB:
undetectable
4hvcB-4bedB:
14.81
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.
4blp PACKAGING ENZYME P4

(Pseudomonas
phage phi13)
PF11602
(NTPase_P4)
5 LEU A  67
VAL A 118
PRO A  74
THR A 223
GLY A 221
None
1.33A 4hvcB-4blpA:
undetectable
4hvcB-4blpA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT


(Pseudonaja
textilis)
PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3)
5 LEU V 852
PHE V 982
VAL V 980
PHE V 986
GLY V1105
None
1.35A 4hvcB-4bxsV:
undetectable
4hvcB-4bxsV:
15.66
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.
4bzi SEC23P

(Saccharomyces
cerevisiae)
PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS)
5 LEU A 140
PHE A 126
VAL A 128
PHE A 388
GLY A 367
None
1.18A 4hvcB-4bziA:
2.2
4hvcB-4bziA:
21.77
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.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE


(Staphylococcus
aureus)
PF08543
(Phos_pyr_kin)
5 LEU A 146
VAL A 136
PRO A 106
THR A  39
GLY A  11
None
None
None
None
PXL  A 300 (-3.9A)
1.31A 4hvcB-4c5nA:
3.1
4hvcB-4c5nA:
21.91
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.
4ci2 PROTEIN CEREBLON

(Gallus gallus)
PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18)
5 LEU B  98
VAL B  90
GLU B 107
THR B 173
GLY B 177
None
1.26A 4hvcB-4ci2B:
undetectable
4hvcB-4ci2B:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
5 LEU A 191
PHE A  57
VAL A  78
THR A 288
GLY A 287
None
1.17A 4hvcB-4e1jA:
undetectable
4hvcB-4e1jA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eb0 LCC

(uncultured
bacterium)
PF12695
(Abhydrolase_5)
5 PHE A 196
VAL A 202
PRO A 186
HIS A 242
GLY A  94
None
1.19A 4hvcB-4eb0A:
3.9
4hvcB-4eb0A:
23.14
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.
4fn5 ELONGATION FACTOR G
1


(Pseudomonas
aeruginosa)
PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II)
5 LEU A 343
GLU A 358
VAL A 349
THR A 326
GLY A 331
None
1.25A 4hvcB-4fn5A:
2.8
4hvcB-4fn5A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gs4 ALPHA-TUBULIN
N-ACETYLTRANSFERASE


(Homo sapiens)
PF05301
(Acetyltransf_16)
5 LEU A 164
VAL A 184
PRO A 159
THR A  65
SER A  54
None
1.30A 4hvcB-4gs4A:
undetectable
4hvcB-4gs4A:
16.50
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.
4if5 ALPHA-TUBULIN
N-ACETYLTRANSFERASE


(Homo sapiens)
PF05301
(Acetyltransf_16)
5 LEU A 164
VAL A 184
PRO A 159
THR A  65
SER A  54
None
None
None
CL  A 202 (-4.0A)
None
1.26A 4hvcB-4if5A:
undetectable
4hvcB-4if5A:
16.47
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.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis)
PF03559
(Hexose_dehydrat)
5 LEU A 385
VAL A 332
PRO A 370
HIS A 375
GLY A 300
None
1.31A 4hvcB-4j7hA:
undetectable
4hvcB-4j7hA:
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.
4mk3 GLUTATHIONE
S-TRANSFERASE


(Cupriavidus
metallidurans)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
5 GLU A  21
VAL A  18
PHE A 186
THR A 146
GLY A 150
None
1.08A 4hvcB-4mk3A:
undetectable
4hvcB-4mk3A:
19.50
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.
4nv4 SIGNAL PEPTIDASE I

(Bacillus
anthracis)
PF00717
(Peptidase_S24)
5 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
None
PG4  A 201 (-3.9A)
None
None
None
1.31A 4hvcB-4nv4A:
undetectable
4hvcB-4nv4A:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Vibrio cholerae)
PF01546
(Peptidase_M20)
6 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
None
None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
1.30A 4hvcB-4op4A:
2.5
4hvcB-4op4A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk6 GLUCOSE-RESISTANCE
AMYLASE REGULATOR


(Weissella
paramesenteroides)
PF13377
(Peripla_BP_3)
5 LEU A 112
PHE A 121
VAL A  66
PHE A 305
GLY A  90
None
1.30A 4hvcB-4rk6A:
4.4
4hvcB-4rk6A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl6 SACCHAROPINE
DEHYDROGENASE


(Streptococcus
pneumoniae)
PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C)
5 LEU A 402
VAL A 165
PRO A 369
SER A 359
GLY A  11
None
None
None
None
NDP  A 501 (-3.7A)
1.11A 4hvcB-4rl6A:
2.4
4hvcB-4rl6A:
20.92
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT


(Methylococcus
capsulatus)
no annotation 5 LEU B 390
PHE B 376
VAL B 388
SER B 341
GLY B 339
None
1.26A 4hvcB-4tqoB:
undetectable
4hvcB-4tqoB:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB


(Lactococcus
lactis)
PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C)
5 GLU A 823
VAL A 824
GLU A 356
PHE A 342
GLY A 363
None
1.21A 4hvcB-4wd9A:
2.3
4hvcB-4wd9A:
18.66
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.
4wed ABC TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN


(Sinorhizobium
meliloti)
PF00496
(SBP_bac_5)
5 PHE A 246
GLU A 513
PRO A 250
GLU A 255
GLY A 256
None
1.28A 4hvcB-4wedA:
undetectable
4hvcB-4wedA:
22.64
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.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5


(Rattus
norvegicus)
PF00083
(Sugar_tr)
5 VAL A 163
PRO A 392
THR A 451
SER A 290
GLY A 286
None
1.31A 4hvcB-4ybqA:
undetectable
4hvcB-4ybqA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
6 GLU A 392
GLU A 409
HIS A 411
THR A 478
SER A 508
GLY A 510
ANP  A 801 (-3.6A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
0.95A 4hvcB-4ydqA:
50.8
4hvcB-4ydqA:
51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
11 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510
None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
0.38A 4hvcB-4ydqA:
50.8
4hvcB-4ydqA:
51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
10 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
TRP A 407
PHE A 454
THR A 478
SER A 508
GLY A 510
None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
None
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
0.68A 4hvcB-4ydqA:
50.8
4hvcB-4ydqA:
51.67
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.
4yrh ALPHA-TUBULIN
N-ACETYLTRANSFERASE
1


(Danio rerio)
PF05301
(Acetyltransf_16)
5 LEU A 158
VAL A 178
PRO A 153
THR A  60
SER A  49
None
1.23A 4hvcB-4yrhA:
undetectable
4hvcB-4yrhA:
16.26
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.
4zn2 PSLG

(Pseudomonas
aeruginosa)
PF00150
(Cellulase)
5 LEU A 264
PHE A 209
GLU A 211
PHE A 253
GLY A 278
None
1.29A 4hvcB-4zn2A:
undetectable
4hvcB-4zn2A:
21.81
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2


(Eremothecium
gossypii;
Eremothecium
gossypii)
PF10345
(Cohesin_load)
no annotation
5 LEU B  33
PHE A 397
VAL A 340
SER A 452
GLY A 461
None
1.25A 4hvcB-5c6gB:
undetectable
4hvcB-5c6gB:
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.
5c9l PLL LECTIN

(Photorhabdus
luminescens)
PF03984
(DUF346)
5 LEU A  98
VAL A 137
PRO A 125
THR A 317
GLY A  26
None
1.33A 4hvcB-5c9lA:
undetectable
4hvcB-5c9lA:
21.38
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF


(Serratia sp.
FS14)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
5 LEU A 562
VAL A 612
PRO A 628
PHE A 669
GLY A 636
None
1.17A 4hvcB-5cioA:
undetectable
4hvcB-5cioA:
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum)
PF03662
(Glyco_hydro_79n)
5 LEU A 176
GLU A 245
GLU A  45
SER A  43
GLY A 328
None
None
IF6  A1476 (-2.9A)
None
None
1.20A 4hvcB-5g0qA:
undetectable
4hvcB-5g0qA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis)
PF14592
(Chondroitinas_B)
5 VAL A 431
PRO A 429
TRP A 427
PHE A  60
GLY A  78
None
1.10A 4hvcB-5gkqA:
undetectable
4hvcB-5gkqA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum)
no annotation 5 LEU A 345
PHE A 277
VAL A 328
THR A 158
GLY A 213
None
1.11A 4hvcB-5gqfA:
undetectable
4hvcB-5gqfA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5it6 GALECTIN-RELATED
PROTEIN


(Gallus gallus)
PF00337
(Gal-bind_lectin)
5 LEU A  51
PHE A 102
GLU A  91
VAL A  90
HIS A 113
None
EDO  A 207 ( 3.8A)
EDO  A 207 ( 3.3A)
None
None
1.21A 4hvcB-5it6A:
undetectable
4hvcB-5it6A:
14.14
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)


(Helicobacter
pylori)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
5 LEU A 322
PHE A 371
GLU A 490
THR A 498
GLY A 497
None
1.31A 4hvcB-5lp4A:
undetectable
4hvcB-5lp4A:
21.50
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.
5m1b 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE


(Escherichia
coli)
PF01977
(UbiD)
5 LEU A  22
PHE A  67
GLU A 328
GLU A 270
SER A 268
None
1.32A 4hvcB-5m1bA:
undetectable
4hvcB-5m1bA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE KDPC
SUBUNIT


(Escherichia
coli;
Escherichia
coli)
PF03814
(KdpA)
PF02669
(KdpC)
5 LEU C  42
HIS A 242
THR A 122
SER C  82
GLY A 120
None
1.16A 4hvcB-5mrwC:
undetectable
4hvcB-5mrwC:
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.
5mun LYS-GINGIPAIN W83

(Porphyromonas
gingivalis)
PF08126
(Propeptide_C25)
5 LEU A 186
GLU A  53
VAL A  67
PRO A  84
THR A  33
None
None
None
None
AZI  A 301 (-4.6A)
1.33A 4hvcB-5munA:
undetectable
4hvcB-5munA:
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 5 LEU B 235
PHE B 388
VAL B 394
SER B 365
GLY B 370
None
1.34A 4hvcB-5nd1B:
undetectable
4hvcB-5nd1B:
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.
5t79 ALDO-KETO REDUCTASE,
OXIDOREDUCTASE


(Salmonella
enterica)
PF00248
(Aldo_ket_red)
5 LEU A 211
PRO A 194
HIS A  59
SER A  29
GLY A  31
None
None
None
None
NDP  A 404 (-3.0A)
1.33A 4hvcB-5t79A:
undetectable
4hvcB-5t79A:
20.34
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.
5uld TRANSPORTER, NADC
FAMILY


(Vibrio cholerae)
PF00939
(Na_sulph_symp)
5 LEU A 183
PHE A 415
GLU A 374
THR A 200
SER A 146
None
None
None
CIT  A 503 (-3.6A)
NA  A 501 (-2.4A)
1.12A 4hvcB-5uldA:
undetectable
4hvcB-5uldA:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
5 GLU A1154
PHE A1216
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.94A 4hvcB-5vadA:
54.2
4hvcB-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
10 LEU A1087
GLU A1100
VAL A1101
PRO A1120
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.86A 4hvcB-5vadA:
54.2
4hvcB-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
10 LEU A1087
GLU A1100
VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
GLY A1274
None
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.66A 4hvcB-5vadA:
54.2
4hvcB-5vadA:
98.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xav INTRACELLULAR
POLYHYDROXYALKANOATE
SYNTHASE


(Chromobacterium
sp. USM2)
PF07167
(PhaC_N)
5 PHE A 270
GLU A 266
TRP A 249
PHE A 312
GLY A 293
None
1.35A 4hvcB-5xavA:
undetectable
4hvcB-5xavA:
23.48
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)


(Toxoplasma
gondii)
no annotation 6 GLU A 472
GLU A 489
HIS A 491
THR A 558
SER A 588
GLY A 590
ANP  A1001 (-3.4A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
1.01A 4hvcB-5xiiA:
51.8
4hvcB-5xiiA:
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)


(Toxoplasma
gondii)
no annotation 12 LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
GLY A 590
None
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
0.33A 4hvcB-5xiiA:
51.8
4hvcB-5xiiA:
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE


(Leishmania
major)
no annotation 7 TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 510
GLY A 512
None
0.40A 4hvcB-5xilA:
46.7
4hvcB-5xilA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)


(Cryptosporidium
parvum)
no annotation 7 GLU A 364
TRP A 379
GLU A 381
HIS A 383
THR A 450
SER A 480
GLY A 482
ANP  A 803 (-3.7A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
1.12A 4hvcB-5xioA:
49.4
4hvcB-5xioA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)


(Cryptosporidium
parvum)
no annotation 9 LEU A 297
PHE A 307
GLU A 310
VAL A 311
PRO A 330
GLU A 381
PHE A 426
THR A 450
GLY A 482
None
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-3.9A)
0.64A 4hvcB-5xioA:
49.4
4hvcB-5xioA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)


(Cryptosporidium
parvum)
no annotation 11 LEU A 297
PHE A 307
VAL A 311
PRO A 330
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
GLY A 482
None
HFG  A 801 (-3.7A)
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
0.38A 4hvcB-5xioA:
49.4
4hvcB-5xioA:
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE


(Eimeria tenella)
no annotation 7 GLU A 392
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
GLY A 510
ANP  A1001 (-3.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
1.02A 4hvcB-5xipA:
50.2
4hvcB-5xipA:
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE


(Eimeria tenella)
no annotation 12 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510
None
HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
0.61A 4hvcB-5xipA:
50.2
4hvcB-5xipA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN


(Bifidobacterium
longum)
no annotation 5 VAL A 566
PRO A 625
GLU A 166
THR A 163
GLY A 165
None
1.23A 4hvcB-5z9sA:
undetectable
4hvcB-5z9sA:
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.
6grw -

(-)
no annotation 5 PRO A 407
GLU A 290
HIS A 266
SER A 267
GLY A 292
None
1.16A 4hvcB-6grwA:
undetectable
4hvcB-6grwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
4 THR A 111
GLU A 113
ARG A 142
HIS A 230
None
1.17A 4hvcB-1hc7A:
46.8
4hvcB-1hc7A:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
4 THR A 117
GLU A 119
ARG A 148
HIS A 237
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
5CA  A 512 (-4.4A)
0.33A 4hvcB-1nj1A:
44.2
4hvcB-1nj1A:
35.96
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.
2avf COPPER-CONTAINING
NITRITE REDUCTASE


(Achromobacter
cycloclastes)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
4 HIS A  60
THR A  92
GLU A  47
HIS A 145
None
None
None
CU  A 501 (-3.2A)
1.21A 4hvcB-2avfA:
undetectable
4hvcB-2avfA:
19.85
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE


(Arabidopsis
thaliana)
PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C)
4 THR A 243
GLU A 247
ARG A  33
HIS A 295
None
1.12A 4hvcB-2h39A:
undetectable
4hvcB-2h39A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o9r BETA-GLUCOSIDASE B

(Paenibacillus
polymyxa)
PF00232
(Glyco_hydro_1)
4 HIS A  62
THR A 427
GLU A 429
HIS A 422
None
1.46A 4hvcB-2o9rA:
undetectable
4hvcB-2o9rA:
21.93
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.
2wdw PUTATIVE HEXOSE
OXIDASE


(Nonomuraea
gerenzanensis)
PF01565
(FAD_binding_4)
PF08031
(BBE)
4 HIS A 514
THR A  80
ARG A  79
HIS A  62
None
1.45A 4hvcB-2wdwA:
undetectable
4hvcB-2wdwA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
4 HIS A 136
THR A 139
GLU A 466
HIS A  92
None
None
C2O  A 702 ( 4.5A)
CU  A 703 ( 3.0A)
1.35A 4hvcB-3aw5A:
undetectable
4hvcB-3aw5A:
21.42
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
4 HIS A 136
THR A 139
GLU A 466
HIS A 396
None
None
C2O  A 702 ( 4.5A)
C2O  A 702 ( 3.3A)
0.98A 4hvcB-3aw5A:
undetectable
4hvcB-3aw5A:
21.42
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.
3dcd GALACTOSE MUTAROTASE
RELATED ENZYME


(Lactobacillus
acidophilus)
PF01263
(Aldose_epim)
4 HIS A 292
THR A  29
GLU A  31
HIS A 152
None
1.49A 4hvcB-3dcdA:
0.2
4hvcB-3dcdA:
21.28
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440


(Streptococcus
pneumoniae)
PF03644
(Glyco_hydro_85)
4 THR A 232
GLU A 265
ARG A 556
HIS A 239
None
1.33A 4hvcB-3gdbA:
undetectable
4hvcB-3gdbA:
20.09
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE


(Alcaligenes
faecalis)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
4 HIS A  60
THR A  92
GLU A  47
HIS A 145
None
None
None
CU  A1501 (-3.0A)
1.14A 4hvcB-3h4hA:
undetectable
4hvcB-3h4hA:
20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE


(Giardia
intestinalis)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
4 THR A 146
GLU A 148
ARG A 177
HIS A 266
PR8  A 601 (-4.0A)
PR8  A 601 (-3.0A)
PR8  A 601 ( 4.3A)
PR8  A 601 ( 3.9A)
0.28A 4hvcB-3ialA:
43.4
4hvcB-3ialA:
32.91
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465


(Oleispira
antarctica)
PF01979
(Amidohydro_1)
4 HIS A 245
THR A 247
GLU A 250
HIS A 216
None
1.39A 4hvcB-3lnpA:
undetectable
4hvcB-3lnpA:
20.99
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus)
PF01676
(Metalloenzyme)
4 HIS A 334
THR A  33
GLU A 342
HIS A 328
MN  A 397 (-3.4A)
None
None
MN  A 396 (-3.3A)
1.24A 4hvcB-3m8yA:
undetectable
4hvcB-3m8yA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mca ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN
PROTEIN DOM34


(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3)
4 HIS B 251
GLU B 255
ARG A 577
HIS B 244
None
1.38A 4hvcB-3mcaB:
undetectable
4hvcB-3mcaB:
20.15
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.
3pfr MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Actinobacillus
succinogenes)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 THR A 321
GLU A 118
ARG A 325
HIS A  89
None
1.04A 4hvcB-3pfrA:
undetectable
4hvcB-3pfrA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E


(Streptomyces
cinnabarigriseus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 THR A 318
GLU A 312
ARG A 272
HIS A 313
None
None
NAP  A1447 (-3.8A)
NAP  A1447 (-4.3A)
1.44A 4hvcB-4a0sA:
2.4
4hvcB-4a0sA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4goq HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides)
PF07372
(DUF1491)
4 HIS A 101
THR A 104
GLU A 105
ARG A  15
None
None
GOL  A 202 ( 3.9A)
None
1.22A 4hvcB-4goqA:
undetectable
4hvcB-4goqA:
13.31
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.
4lhe THERMOSTABLE
MONOACYLGLYCEROL
LIPASE


(Bacillus sp.
H-257)
PF12146
(Hydrolase_4)
4 HIS A  27
THR A  30
GLU A 156
HIS A 226
None
SO4  A 302 (-2.9A)
None
SO4  A 302 (-3.9A)
1.20A 4hvcB-4lheA:
3.7
4hvcB-4lheA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
4 THR A 359
GLU A 361
ARG A 390
HIS A 480
HFG  A 802 (-3.2A)
HFG  A 802 (-2.9A)
ANP  A 801 ( 2.5A)
HFG  A 802 (-4.0A)
0.22A 4hvcB-4ydqA:
50.8
4hvcB-4ydqA:
51.67
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.
5akr COPPER-CONTAINING
NITRITE REDUCTASE


(Achromobacter
cycloclastes)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
4 HIS A  60
THR A  92
GLU A  47
HIS A 145
None
ACT  A 601 ( 4.9A)
None
CU  A 501 (-3.1A)
1.18A 4hvcB-5akrA:
undetectable
4hvcB-5akrA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1


(Fervidobacterium
islandicum)
PF02074
(Peptidase_M32)
4 HIS A 222
THR A 336
ARG A 335
HIS A 253
None
None
None
CO  A 501 (-3.3A)
1.27A 4hvcB-5e3xA:
undetectable
4hvcB-5e3xA:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
4 THR A1121
GLU A1123
ARG A1152
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
PRO  A1602 (-4.1A)
0.40A 4hvcB-5vadA:
54.2
4hvcB-5vadA:
98.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)


(Toxoplasma
gondii)
no annotation 4 THR A 439
GLU A 441
ARG A 470
HIS A 560
86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
ANP  A1001 ( 2.9A)
86X  A1004 (-3.7A)
0.17A 4hvcB-5xiiA:
51.8
4hvcB-5xiiA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)


(Cryptosporidium
parvum)
no annotation 4 THR A 331
GLU A 333
ARG A 362
HIS A 452
HFG  A 801 (-3.4A)
HFG  A 801 (-3.0A)
ANP  A 803 ( 3.1A)
HFG  A 801 (-4.2A)
0.27A 4hvcB-5xioA:
49.4
4hvcB-5xioA:
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE


(Eimeria tenella)
no annotation 4 THR A 359
GLU A 361
ARG A 390
HIS A 480
HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-3.5A)
0.38A 4hvcB-5xipA:
50.2
4hvcB-5xipA:
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.
5ydl PKS

(Streptomyces
sp. CNQ431)
no annotation 4 THR A 353
GLU A 345
ARG A 357
HIS A 373
None
1.23A 4hvcB-5ydlA:
undetectable
4hvcB-5ydlA:
undetectable