SIMILAR PATTERNS OF AMINO ACIDS FOR 5K9D_A_ACTA407

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.
1fw3 OUTER MEMBRANE
PHOSPHOLIPASE A

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASP A  47
THR A  45
GLN A 256
ARG A 258
 None
 1.49A 5k9dA-1fw3A:
0.0		 5k9dA-1fw3A:
23.24
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.
1gux RETINOBLASTOMA
PROTEIN
RETINOBLASTOMA
PROTEIN

(Homo sapiens;
Homo sapiens) 		PF01858
(RB_A)
PF01857
(RB_B)
PF08934
(Rb_C) 		4 ASP B 701
THR B 738
GLN B 702
GLU A 559
 None
 1.16A 5k9dA-1guxB:
undetectable		 5k9dA-1guxB:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		4 ASP A 311
THR A 314
ARG A 318
GLU A 344
 None
 0.84A 5k9dA-1uuoA:
60.9		 5k9dA-1uuoA:
87.63
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.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 4 ASP A 184
THR A 186
GLN A 187
GLU A 346
 None
 1.23A 5k9dA-2cjaA:
0.0		 5k9dA-2cjaA:
21.65
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.
2fsq ATU0111 PROTEIN

(Agrobacterium
fabrum) 		PF08975
(2H-phosphodiest) 		4 ASP A 110
THR A 113
ARG A 117
GLU A 223
 None
 0.90A 5k9dA-2fsqA:
0.0		 5k9dA-2fsqA:
23.97
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.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermotoga
maritima;
Thermotoga
maritima) 		PF01680
(SOR_SNZ)
PF01174
(SNO) 		4 THR D  49
GLN D  93
ARG D 105
GLU A  36
 None
 1.13A 5k9dA-2issD:
0.0		 5k9dA-2issD:
23.78
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ASP A 274
THR A 169
ARG A 175
GLU A 171
 None
 1.39A 5k9dA-2yd0A:
undetectable		 5k9dA-2yd0A:
20.65
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase) 		4 ASP A 209
THR A 206
ARG A 454
GLU A  12
 None
 1.49A 5k9dA-3al0A:
undetectable		 5k9dA-3al0A:
22.15
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 ASP A 668
THR A 666
ARG A 744
GLU A 770
 None
 1.13A 5k9dA-3bdlA:
undetectable		 5k9dA-3bdlA:
22.46
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.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A 180
THR A 164
ARG A 649
GLU A  27
 None
 1.19A 5k9dA-3efmA:
undetectable		 5k9dA-3efmA:
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.
3lif PUTATIVE DIGUANYLATE
CYCLASE (GGDEF) WITH
PAS/PAC DOMAIN

(Rhodopseudomonas
palustris) 		PF02743
(dCache_1) 		4 THR A  68
GLN A  72
ARG A 268
GLU A  65
 None
 1.28A 5k9dA-3lifA:
undetectable		 5k9dA-3lifA:
23.40
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		4 ASP A  21
THR A  17
GLN A  20
ARG A   3
 None
 1.27A 5k9dA-3pkoA:
undetectable		 5k9dA-3pkoA:
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.
3s6p CAPSID PROTEIN

(Helicoverpa
armigera stunt
virus) 		PF03566
(Peptidase_A21) 		4 ASP A 495
THR A 497
GLN A 277
ARG A 426
 None
 1.49A 5k9dA-3s6pA:
undetectable		 5k9dA-3s6pA:
20.79
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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 THR A 459
GLN A 467
ARG A 476
GLU A 437
 None
 1.37A 5k9dA-3vmnA:
3.8		 5k9dA-3vmnA:
20.65
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASP A 432
THR A 435
ARG A 439
GLU A 414
 None
 1.00A 5k9dA-3vnsA:
undetectable		 5k9dA-3vnsA:
24.09
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.
4az1 TYROSINE SPECIFIC
PROTEIN PHOSPHATASE

(Trypanosoma
cruzi) 		PF00102
(Y_phosphatase) 		4 ASP A  67
THR A  73
GLN A  64
GLU A 110
 None
 1.27A 5k9dA-4az1A:
undetectable		 5k9dA-4az1A:
25.64
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.
4elj RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A)
PF11934
(DUF3452) 		4 ASP A 701
THR A 738
GLN A 702
GLU A 559
 None
 1.25A 5k9dA-4eljA:
undetectable		 5k9dA-4eljA:
20.03
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.
4ell RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 ASP A 701
THR A 738
GLN A 702
GLU A 559
 None
 1.22A 5k9dA-4ellA:
undetectable		 5k9dA-4ellA:
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.
4fod ALK TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 THR A1211
GLN A1217
ARG A1214
GLU A1210
 None
None
None
0UV  A1501 (-3.7A)
 1.35A 5k9dA-4fodA:
undetectable		 5k9dA-4fodA:
22.16
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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		4 ASP A 187
GLN A 186
ARG A 189
GLU A 188
 None
 1.37A 5k9dA-4j6cA:
undetectable		 5k9dA-4j6cA:
22.20
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.
4lk4 VESB PROTEASE

(Vibrio cholerae) 		PF00089
(Trypsin) 		4 ASP A 181
THR A 158
ARG A 231
GLU A 179
 None
 1.33A 5k9dA-4lk4A:
undetectable		 5k9dA-4lk4A:
21.98
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.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		4 ASP A 507
THR A 503
ARG A 502
GLU A  84
 None
 1.44A 5k9dA-4pj1A:
undetectable		 5k9dA-4pj1A:
23.37
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A 503
THR A 502
GLN A 506
ARG A 518
 None
 1.27A 5k9dA-4r1dA:
undetectable		 5k9dA-4r1dA:
23.60
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		4 ASP A  86
THR A  85
GLN A  89
GLU A 184
 None
 1.23A 5k9dA-4xeqA:
undetectable		 5k9dA-4xeqA:
24.75
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 ASP A  54
THR A  90
GLN A  56
ARG A  88
 None
SO4  A 609 (-3.8A)
None
None
 1.32A 5k9dA-5df0A:
12.2		 5k9dA-5df0A:
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.
5efr BAMA-BAMD FUSION
PROTEIN

(Rhodothermus
marinus) 		PF07244
(POTRA)
PF13525
(YfiO) 		4 ASP A1153
THR A1156
GLN A1157
ARG A1160
 None
 0.86A 5k9dA-5efrA:
undetectable		 5k9dA-5efrA:
23.78
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		4 ASP A 189
THR A 191
GLN A 192
GLU A 336
 None
 1.46A 5k9dA-5h42A:
undetectable		 5k9dA-5h42A:
15.50
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 THR A1794
GLN A1490
ARG A1489
GLU A1791
 None
 1.47A 5k9dA-5m59A:
undetectable		 5k9dA-5m59A:
12.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		5 ASP A 311
THR A 314
GLN A 315
ARG A 318
GLU A 344
 ACT  A 405 (-3.6A)
ACT  A 405 (-4.2A)
ACT  A 405 (-3.5A)
ACT  A 405 (-3.8A)
None
 0.25A 5k9dA-5mvdA:
62.3		 5k9dA-5mvdA:
100.00
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.
5njl CELL SURFACE PROTEIN
(PUTATIVE S-LAYER
PROTEIN)

(Clostridioides
difficile) 		no annotation 4 ASP A 229
THR A 104
GLN A 231
GLU A  67
 SO4  A 405 (-3.5A)
None
None
None
 1.08A 5k9dA-5njlA:
undetectable		 5k9dA-5njlA:
22.25
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.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 4 ASP A 135
THR A 137
GLN A 138
ARG A 301
 None
 1.33A 5k9dA-5yatA:
undetectable		 5k9dA-5yatA:
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 4 ASP A1586
THR A1589
GLN A1590
ARG A1593
 None
 1.18A 5k9dA-5yz0A:
undetectable		 5k9dA-5yz0A:
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.
6az1 RIBOSOMAL PROTEIN
S17

(Leishmania
donovani) 		no annotation 4 ASP U  70
THR U  76
GLN U  26
ARG U  48
 None
 1.29A 5k9dA-6az1U:
undetectable		 5k9dA-6az1U:
18.68