SIMILAR PATTERNS OF AMINO ACIDS FOR 4WNV_B_QI9B602_0

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.
1avb ARCELIN-1

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 PHE A  11
LEU A  16
LEU A  85
THR A  70
PHE A  87
 None
 1.46A 4wnvB-1avbA:
0.0		 4wnvB-1avbA:
19.27
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.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		5 PHE A 219
LEU A 185
SER A 272
VAL A 192
VAL A 204
 None
 1.33A 4wnvB-1ci9A:
0.0		 4wnvB-1ci9A:
25.44
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.
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia) 		PF00139
(Lectin_legB) 		5 PHE A  11
LEU A  18
LEU A  89
THR A  74
PHE A  91
 None
 1.39A 4wnvB-1fnzA:
0.0		 4wnvB-1fnzA:
21.08
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.
1g8w LEUCOAGGLUTINATING
PHYTOHEMAGGLUTININ

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 PHE A  11
LEU A  16
LEU A  88
THR A  73
PHE A  90
 None
 1.46A 4wnvB-1g8wA:
0.0		 4wnvB-1g8wA:
18.91
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.
1ioa ARCELIN-5A

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 PHE A  11
LEU A  17
LEU A  87
THR A  72
PHE A  89
 None
 1.45A 4wnvB-1ioaA:
0.0		 4wnvB-1ioaA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A 425
GLU A 403
THR A 368
VAL A 388
VAL A 392
 None
 1.41A 4wnvB-1tj7A:
0.0		 4wnvB-1tj7A:
23.75
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.
2f5t ARCHAEAL
TRANSCRIPTIONAL
REGULATOR TRMB

(Thermococcus
litoralis) 		PF11495
(Regulator_TrmB) 		5 PHE X 124
SER X 127
THR X 154
VAL X 161
VAL X 137
 None
 1.39A 4wnvB-2f5tX:
0.0		 4wnvB-2f5tX:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 120
LEU A 121
GLU A 216
SER A 304
THR A 309
 HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.5A)
 1.06A 4wnvB-2f9qA:
55.7		 4wnvB-2f9qA:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 120
LEU A 121
SER A 304
THR A 309
VAL A 370
 HEM  A 600 (-4.6A)
None
None
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.9A)
 0.58A 4wnvB-2f9qA:
55.7		 4wnvB-2f9qA:
99.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l73 NADPH OXIDASE
ORGANIZER 1

(Homo sapiens) 		PF00787
(PX) 		5 LEU A 103
LEU A  48
VAL A  38
VAL A  28
PHE A  26
 None
 1.20A 4wnvB-2l73A:
0.0		 4wnvB-2l73A:
16.85
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.
2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 173
LEU A 213
GLU A 178
VAL A 183
PHE A 235
 LEU  A 173 ( 0.6A)
LEU  A 213 ( 0.6A)
GLU  A 178 ( 0.5A)
VAL  A 183 ( 0.6A)
PHE  A 235 ( 1.3A)
 1.44A 4wnvB-2qv2A:
undetectable		 4wnvB-2qv2A:
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.
2xut PROTON/PEPTIDE
SYMPORTER FAMILY
PROTEIN

(Shewanella
oneidensis) 		PF00854
(PTR2) 		5 LEU A  43
LEU A 102
SER A 108
THR A 114
VAL A  59
 None
 1.43A 4wnvB-2xutA:
undetectable		 4wnvB-2xutA:
23.00
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.
3f1v DNA POLYMERASE III
SUBUNIT BETA

(Escherichia
coli) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 PHE A  75
LEU A 108
LEU A  82
VAL A   5
VAL A  90
 None
 1.34A 4wnvB-3f1vA:
undetectable		 4wnvB-3f1vA:
24.44
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 PHE A 120
LEU A 309
SER A 285
VAL A  63
VAL A 169
 None
None
None
None
CSO  A  13 ( 3.6A)
 1.31A 4wnvB-3il4A:
undetectable		 4wnvB-3il4A:
20.46
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.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE

(Aphonopelma) 		PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 PHE A 333
LEU A 336
THR A 350
VAL A 223
PHE A 433
 None
 1.36A 4wnvB-3jbhA:
undetectable		 4wnvB-3jbhA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ruy ORNITHINE
AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 LEU A 176
THR A 187
VAL A 221
VAL A 215
PHE A 223
 None
 1.39A 4wnvB-3ruyA:
undetectable		 4wnvB-3ruyA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w77 FMN-DEPENDENT
NADH-AZOREDUCTASE

(Bacillus sp.
B29) 		PF02525
(Flavodoxin_2) 		5 PHE A  26
GLU A 176
SER A 206
VAL A   4
VAL A  94
 None
 1.50A 4wnvB-3w77A:
undetectable		 4wnvB-3w77A:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4afr METACASPASE

(Trypanosoma
brucei) 		PF00656
(Peptidase_C14) 		5 LEU A  68
LEU A 292
SER A 335
THR A 207
VAL A  73
 None
 1.42A 4wnvB-4afrA:
undetectable		 4wnvB-4afrA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 PHE A 403
LEU A 634
SER A 407
VAL A 469
VAL A 425
 None
 1.28A 4wnvB-4am6A:
undetectable		 4wnvB-4am6A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 495
LEU A 160
GLU A 157
VAL A 121
VAL A 117
 None
 1.45A 4wnvB-4gaxA:
undetectable		 4wnvB-4gaxA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C

(Zea mays) 		PF00171
(Aldedh) 		5 PHE A 319
LEU A 284
THR A 295
VAL A 276
VAL A 278
 None
 1.37A 4wnvB-4pxlA:
undetectable		 4wnvB-4pxlA:
21.68
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.
4tlv ADP-RIBOSYLATING
TOXIN CARDS

(Mycoplasma
pneumoniae) 		PF02917
(Pertussis_S1) 		5 PHE A  60
SER A  63
THR A 171
VAL A 150
VAL A  11
 None
None
GOL  A 606 (-2.9A)
None
None
 1.33A 4wnvB-4tlvA:
undetectable		 4wnvB-4tlvA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A 460
LEU A 302
THR A 378
VAL A 320
VAL A 328
 None
 1.34A 4wnvB-4wboA:
undetectable		 4wnvB-4wboA:
22.28
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 PHE A 236
LEU A 152
THR A 255
VAL A  61
VAL A 110
 None
 1.45A 4wnvB-4xukA:
undetectable		 4wnvB-4xukA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h29 THIOREDOXIN
REDUCTASE/GLUTATHION
E-RELATED PROTEIN

(Enterococcus
faecalis) 		no annotation 5 PHE A 355
LEU A 363
LEU A 376
VAL A 452
PHE A 443
 None
 1.48A 4wnvB-5h29A:
undetectable		 4wnvB-5h29A:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus;
Bos taurus;
Bos taurus) 		PF00507
(Oxidored_q4)
PF00146
(NADHdh)
PF00499
(Oxidored_q3) 		5 LEU H 298
LEU J 161
GLU A  68
SER A 101
VAL H 144
 None
 1.14A 4wnvB-5lc5H:
undetectable		 4wnvB-5lc5H:
22.27
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.
5t09 TYPE III SECRETION
SYSTEM EFFECTOR
HOPBA1

(Pseudomonas
syringae) 		no annotation 5 PHE A  93
LEU A  80
SER A 138
VAL A 123
VAL A 104
 None
 1.47A 4wnvB-5t09A:
undetectable		 4wnvB-5t09A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uvn PARAQUAT-INDUCIBLE
PROTEIN B

(Escherichia
coli) 		PF02470
(MlaD) 		5 PHE A 292
LEU A 386
SER A 371
VAL A 315
VAL A 337
 None
 1.16A 4wnvB-5uvnA:
undetectable		 4wnvB-5uvnA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 PHE A 404
SER A 388
THR A 391
VAL A 423
PHE A 434
 None
 1.50A 4wnvB-5vf3A:
undetectable		 4wnvB-5vf3A:
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.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 5 PHE A 231
LEU A 238
LEU A 125
VAL A 199
VAL A 201
 None
 1.40A 4wnvB-5wypA:
undetectable		 4wnvB-5wypA:
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.
6d6v TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		no annotation 5 PHE A  59
LEU A  60
SER A 134
THR A 130
VAL A 169
 None
 1.49A 4wnvB-6d6vA:
0.6		 4wnvB-6d6vA:
undetectable