SIMILAR PATTERNS OF AMINO ACIDS FOR 6AK3_A_P2EA1201_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.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		5 GLN A 136
THR A 108
VAL A  72
TYR A 197
LEU A 129
 None
 1.18A 6ak3A-1ei6A:
0.0		 6ak3A-1ei6A:
12.06
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.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 THR A 647
THR A 644
LEU A 478
SER A 174
GLN A 173
 None
 1.40A 6ak3A-1g8xA:
1.8		 6ak3A-1g8xA:
6.51
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 THR A 658
THR A 655
LEU A 489
SER A 185
GLN A 184
 None
 1.42A 6ak3A-1jx2A:
1.6		 6ak3A-1jx2A:
5.99
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.
1ltl DNA REPLICATION
INITIATOR
(CDC21/CDC54)

(Methanothermobacter
thermautotrophicus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 THR A 176
VAL A 198
TYR A 235
LEU A 172
ARG A 124
 None
 1.39A 6ak3A-1ltlA:
0.0		 6ak3A-1ltlA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		5 GLN 1  88
THR 1  79
THR 1  72
LEU 1  98
SER 1 169
 None
 1.46A 6ak3A-1y791:
1.7		 6ak3A-1y791:
8.72
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.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		5 GLN A 270
THR A 167
VAL A 234
LEU A  13
ARG A 160
 None
 1.35A 6ak3A-1yp4A:
0.0		 6ak3A-1yp4A:
9.98
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.
2bri URIDYLATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 THR A 140
VAL A 138
THR A 199
LEU A 167
SER A 182
 ANP  A1226 (-4.0A)
None
None
None
ANP  A1226 ( 4.0A)
 1.31A 6ak3A-2briA:
0.0		 6ak3A-2briA:
16.36
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 MET A 690
THR A 650
VAL A 906
TYR A 623
GLN A 740
 None
 1.38A 6ak3A-2inyA:
0.0		 6ak3A-2inyA:
6.86
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.
2xqw COMPLEMENT C3

(Homo sapiens) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 GLN A 290
VAL A 282
TYR A 268
THR A 279
LEU A  10
 None
 1.29A 6ak3A-2xqwA:
1.2		 6ak3A-2xqwA:
14.08
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.
2xwb COMPLEMENT C3B
ALPHA' CHAIN

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 GLN B1261
VAL B1253
TYR B1239
THR B1250
LEU B 981
 None
 1.31A 6ak3A-2xwbB:
undetectable		 6ak3A-2xwbB:
6.74
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.
3bzw PUTATIVE LIPASE

(Bacteroides
thetaiotaomicron) 		PF13472
(Lipase_GDSL_2) 		5 GLN A 133
THR A 154
THR A 131
VAL A 156
THR A 158
 None
 1.31A 6ak3A-3bzwA:
undetectable		 6ak3A-3bzwA:
16.51
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.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 GLN A 253
THR A 251
VAL A 274
ARG A 258
SER A 257
 None
 1.47A 6ak3A-3cboA:
undetectable		 6ak3A-3cboA:
13.98
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.
3l7o RIBOSE-5-PHOSPHATE
ISOMERASE A

(Streptococcus
mutans) 		PF06026
(Rib_5-P_isom_A) 		5 THR A  52
THR A  53
VAL A 107
THR A 111
GLN A  60
 None
 1.45A 6ak3A-3l7oA:
undetectable		 6ak3A-3l7oA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lh5 TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 GLN A 796
THR A 771
THR A 770
VAL A 725
THR A 648
 None
 1.42A 6ak3A-3lh5A:
undetectable		 6ak3A-3lh5A:
20.88
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 GLN A1813
THR A1812
VAL A1807
TYR A1803
LEU A1882
 None
 1.46A 6ak3A-3vkgA:
undetectable		 6ak3A-3vkgA:
2.61
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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		5 GLN A 115
THR A 116
THR A 144
VAL A 143
THR A 190
 None
 1.46A 6ak3A-3wcxA:
undetectable		 6ak3A-3wcxA:
13.70
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 THR A 304
VAL A 309
THR A 538
LEU A 346
SER A 275
 None
 1.40A 6ak3A-4byfA:
undetectable		 6ak3A-4byfA:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4id9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 THR A 289
VAL A 120
LEU A 126
ARG A 158
SER A 106
 None
None
None
None
NAD  A 403 (-3.6A)
 1.27A 6ak3A-4id9A:
undetectable		 6ak3A-4id9A:
13.95
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.
4ipe TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		5 THR A 470
THR A 469
VAL A 468
THR A 550
LEU A 483
 None
 1.48A 6ak3A-4ipeA:
undetectable		 6ak3A-4ipeA:
7.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 THR A 530
VAL A 537
LEU A 518
SER A 468
GLN A 417
 None
 1.45A 6ak3A-4q6kA:
undetectable		 6ak3A-4q6kA:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Thermococcus
kodakarensis) 		PF04998
(RNA_pol_Rpb1_5) 		5 THR C 245
VAL C 118
THR C 264
LEU C 254
SER C 227
 None
 1.19A 6ak3A-4qiwC:
undetectable		 6ak3A-4qiwC:
10.77
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.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 THR A 228
THR A 227
VAL A 189
THR A 191
GLN A 234
 None
 1.23A 6ak3A-4trrA:
undetectable		 6ak3A-4trrA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 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 THR A 140
THR A 139
VAL A 138
LEU A  36
GLN A  61
 None
PG4  A 302 ( 4.2A)
None
None
None
 1.40A 6ak3A-4x9lA:
undetectable		 6ak3A-4x9lA:
17.00
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.
5dn2 NEUROPILIN-2

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 MET A 338
THR A 367
THR A 404
VAL A 365
TYR A 375
 None
 1.47A 6ak3A-5dn2A:
undetectable		 6ak3A-5dn2A:
19.72
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 471
TYR A 588
LEU A 501
SER A 497
GLN A 496
 None
EDO  A1865 (-4.2A)
None
None
EDO  A1864 (-3.0A)
 1.35A 6ak3A-5fjiA:
undetectable		 6ak3A-5fjiA:
7.27
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.
5tth C-TERMINAL
SPYCATCHER FUSION OF
WILDTYPE ZEBRAFISH
TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Streptococcus
pyogenes;
Danio rerio) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		5 THR A 470
THR A 469
VAL A 468
THR A 550
LEU A 483
 None
 1.45A 6ak3A-5tthA:
undetectable		 6ak3A-5tthA:
7.78
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.
5wee VENOM ALLERGEN LIKE
PROTEIN 4

(Heligmosomoides
polygyrus) 		no annotation 5 GLN A 123
THR A  97
VAL A  94
TYR A 139
THR A  15
 None
 1.40A 6ak3A-5weeA:
undetectable		 6ak3A-5weeA:
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.
5xko CYTIDINE/DEOXYCYTIDY
LATE DEAMINASE,
ZINC-BINDING REGION

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		5 THR A  39
THR A  40
VAL A  34
TYR A  80
THR A  78
 None
 1.47A 6ak3A-5xkoA:
undetectable		 6ak3A-5xkoA:
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.
5xt3 PHOSPHODIESTERASE
ACTING ON CYCLIC
DINUCLEOTIDES

(Staphylococcus
aureus) 		no annotation 5 THR A 623
VAL A 609
TYR A 587
THR A 612
LEU A 649
 None
 1.24A 6ak3A-5xt3A:
undetectable		 6ak3A-5xt3A:
18.89