SIMILAR PATTERNS OF AMINO ACIDS FOR 4LUH_A_ACTA609_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.
1b4r PROTEIN (PKD1_HUMAN)

(Homo sapiens) 		PF00801
(PKD) 		4 ALA A  54
HIS A  56
PHE A  40
LEU A  22
 None
 1.45A 4luhA-1b4rA:
undetectable		 4luhA-1b4rA:
10.08
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.
1ox4 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
HISHF

(Saccharomyces
cerevisiae) 		PF00117
(GATase)
PF00977
(His_biosynth) 		4 ALA B 180
HIS B 147
PHE B 178
LEU B  86
 None
None
None
CYD  B  83 ( 3.8A)
 1.32A 4luhA-1ox4B:
0.0		 4luhA-1ox4B:
22.40
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ALA A 133
HIS A 135
PHE A 163
LEU A 375
 None
 0.87A 4luhA-1qf7A:
0.8		 4luhA-1qf7A:
20.58
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.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		4 ALA A  56
HIS A  17
PHE A  50
LEU A  27
 None
 1.25A 4luhA-1rkxA:
0.0		 4luhA-1rkxA:
20.10
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.
1t5r LUKS-PV

(Staphylococcus
phage PVL) 		PF07968
(Leukocidin) 		4 ALA A 160
HIS A 173
PHE A  76
LEU A 177
 None
 1.29A 4luhA-1t5rA:
undetectable		 4luhA-1t5rA:
18.38
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.
1ye9 CATALASE HPII
CATALASE HPII

(Escherichia
coli;
Escherichia
coli) 		PF00199
(Catalase)
PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ALA A 133
HIS A 135
PHE A 163
LEU E 375
 None
 0.91A 4luhA-1ye9A:
0.0		 4luhA-1ye9A:
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.
2p2w CITRATE SYNTHASE

(Thermotoga
maritima) 		PF00285
(Citrate_synt) 		4 ALA A 324
HIS A 147
PHE A  42
LEU A 166
 None
 1.45A 4luhA-2p2wA:
0.5		 4luhA-2p2wA:
22.11
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.
2qtn NICOTINATE
(NICOTINAMIDE)
NUCLEOTIDE
ADENYLYLTRANSFERASE

(Bacillus
anthracis) 		PF01467
(CTP_transf_like) 		4 ALA A  22
HIS A  69
PHE A  70
LEU A  31
 None
 1.32A 4luhA-2qtnA:
0.0		 4luhA-2qtnA:
15.52
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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		4 ALA D 512
HIS D 575
PHE D 622
LEU D 612
 None
 1.45A 4luhA-2vnuD:
0.0		 4luhA-2vnuD:
22.61
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ALA A 366
HIS A 409
PHE A 217
LEU A 222
 None
 1.33A 4luhA-2yfhA:
0.0		 4luhA-2yfhA:
20.84
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.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		4 ALA A  41
HIS A  87
PHE A  39
LEU A  80
 WSA  A1350 ( 3.8A)
None
WSA  A1350 (-4.8A)
None
 1.50A 4luhA-2yy5A:
0.3		 4luhA-2yy5A:
20.20
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.
3rnl SULFOTRANSFERASE

(Alicyclobacillus
acidocaldarius) 		PF13469
(Sulfotransfer_3) 		4 ALA A  14
HIS A  40
PHE A  89
LEU A  91
 GOL  A 313 ( 4.0A)
None
GOL  A 313 (-4.9A)
None
 1.15A 4luhA-3rnlA:
undetectable		 4luhA-3rnlA:
19.73
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.
3roh LEUCOTOXIN LUKEV

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		4 ALA A 190
HIS A 203
PHE A 106
LEU A 207
 None
 1.32A 4luhA-3rohA:
undetectable		 4luhA-3rohA:
19.76
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.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ALA A 367
HIS A 410
PHE A 218
LEU A 223
 None
 1.30A 4luhA-4bhtA:
0.6		 4luhA-4bhtA:
20.20
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 ALA A 580
HIS A 608
PHE A 497
LEU A 606
 None
 1.14A 4luhA-4bocA:
2.7		 4luhA-4bocA:
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.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 ALA A 121
HIS A 388
PHE A 204
LEU A 202
 None
 1.47A 4luhA-4g0rA:
undetectable		 4luhA-4g0rA:
20.55
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.
4mp3 PUTATIVE ORNITHINE
CYCLODEAMINASE

(Staphylococcus
aureus) 		PF02423
(OCD_Mu_crystall) 		4 ALA A 131
HIS A 164
PHE A 162
LEU A 142
 None
 0.91A 4luhA-4mp3A:
1.6		 4luhA-4mp3A:
20.47
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.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		4 ALA A 350
HIS A 238
PHE A  18
LEU A 370
 None
 1.50A 4luhA-4p6bA:
undetectable		 4luhA-4p6bA:
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.
5hxk ZINC-DEPENDENT
PEPTIDASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ALA A 251
HIS A 387
PHE A 383
LEU A 318
 ALA  A 251 ( 0.0A)
HIS  A 387 ( 1.0A)
PHE  A 383 ( 1.3A)
LEU  A 318 ( 0.6A)
 1.36A 4luhA-5hxkA:
0.4		 4luhA-5hxkA:
21.23
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 ALA C  27
HIS C  32
PHE C  78
LEU C  34
 None
 1.20A 4luhA-5y3rC:
undetectable		 4luhA-5y3rC:
9.67
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.
6e12 -

(-) 		no annotation 4 ALA A  60
HIS A 115
PHE A 111
LEU A  51
 None
 1.45A 4luhA-6e12A:
1.3		 4luhA-6e12A:
undetectable