SIMILAR PATTERNS OF AMINO ACIDS FOR 4RYA_A_ACTA502

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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		4 LYS A  42
ARG A  43
GLY A 880
ASP A  46
 None
 1.42A 4ryaA-1h7wA:
0.0		 4ryaA-1h7wA:
18.10
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.
1oyw ATP-DEPENDENT DNA
HELICASE

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		4 LYS A 464
ARG A 440
GLY A 461
ASP A 415
 None
 1.30A 4ryaA-1oywA:
0.9		 4ryaA-1oywA:
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.
1wzo HPCE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase) 		4 LYS A 146
ARG A 148
GLY A 147
ASP A 128
 NA  A1007 (-3.4A)
None
None
NA  A1007 (-3.1A)
 1.33A 4ryaA-1wzoA:
0.0		 4ryaA-1wzoA:
20.94
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.
1xr6 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		4 LYS A 426
ARG A 425
GLY A 424
ASP A 430
 None
 1.33A 4ryaA-1xr6A:
0.0		 4ryaA-1xr6A:
23.64
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.
2kiv ANKYRIN REPEAT AND
STERILE ALPHA MOTIF
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF00536
(SAM_1) 		4 LYS A 126
ARG A 127
GLY A 123
ASP A  40
 None
 1.14A 4ryaA-2kivA:
undetectable		 4ryaA-2kivA:
16.46
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.
3kvd LIPOPROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		4 LYS D 319
ARG D 218
GLY D 219
ASP D 136
 None
 1.37A 4ryaA-3kvdD:
0.0		 4ryaA-3kvdD:
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.
3mx7 FAS APOPTOTIC
INHIBITORY MOLECULE
1

(Homo sapiens) 		PF06905
(FAIM1) 		4 LYS A  29
ARG A  30
GLY A  28
ASP A   3
 None
 1.34A 4ryaA-3mx7A:
undetectable		 4ryaA-3mx7A:
13.00
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.
3qq8 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 LYS A  62
ARG A  93
GLY A  61
ASP A  98
 None
 1.21A 4ryaA-3qq8A:
0.0		 4ryaA-3qq8A:
17.54
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.
3rpw ABC TRANSPORTER

(Rhodopseudomonas
palustris) 		PF13416
(SBP_bac_8) 		4 LYS A 129
ARG A 127
GLY A 130
ASP A 104
 FMT  A 371 (-3.2A)
None
None
FMT  A 371 ( 3.5A)
 1.40A 4ryaA-3rpwA:
7.8		 4ryaA-3rpwA:
25.59
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.
4qju DNA-BINDING PROTEIN
HU

(Staphylococcus
aureus) 		PF00216
(Bac_DNA_binding) 		4 LYS A  59
ARG A  58
GLY A  60
ASP A  70
 None
 1.20A 4ryaA-4qjuA:
0.0		 4ryaA-4qjuA:
13.16
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.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LYS A  44
ARG A 118
GLY A 117
ASP A 115
 None
 1.35A 4ryaA-4rm7A:
undetectable		 4ryaA-4rm7A:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rya ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL)

(Agrobacterium
vitis) 		PF01547
(SBP_bac_1) 		4 LYS A 294
ARG A 295
GLY A 296
ASP A 373
 ACT  A 502 (-4.6A)
None
ACT  A 502 (-3.7A)
None
 0.00A 4ryaA-4ryaA:
74.9		 4ryaA-4ryaA:
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LYS A2898
ARG A2827
GLY A2858
ASP A2894
 None
 1.28A 4ryaA-4z37A:
undetectable		 4ryaA-4z37A:
20.61
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		4 LYS A 283
ARG A 282
GLY A 284
ASP A 273
 None
 1.34A 4ryaA-5b47A:
undetectable		 4ryaA-5b47A:
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.
5ds1 17.1 KDA CLASS II
HEAT SHOCK PROTEIN

(Pisum sativum) 		PF00011
(HSP20) 		4 LYS A  45
ARG A  44
GLY A  63
ASP A  27
 None
 1.43A 4ryaA-5ds1A:
undetectable		 4ryaA-5ds1A:
11.14
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.
5wa0 PUTATIVE SULFITE
OXIDASE

(Sinorhizobium
meliloti) 		no annotation 4 LYS A 133
ARG A 132
GLY A 131
ASP A 137
 None
 1.42A 4ryaA-5wa0A:
undetectable		 4ryaA-5wa0A:
22.91
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.
5x4l TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 LYS A  62
ARG A  93
GLY A  61
ASP A  98
 None
 1.31A 4ryaA-5x4lA:
undetectable		 4ryaA-5x4lA:
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.
6f71 GLUTATHIONE
TRANSFERASE

(Trametes
versicolor) 		no annotation 4 LYS A 238
ARG A 235
GLY A 234
ASP A  41
 None
 1.39A 4ryaA-6f71A:
undetectable		 4ryaA-6f71A:
undetectable