SIMILAR PATTERNS OF AMINO ACIDS FOR 3D91_B_REMB350_2

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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 VAL A 488
TYR A 537
PRO A 540
PHE A 465
 None
 1.48A 3d91B-1dgjA:
0.0		 3d91B-1dgjA:
16.45
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.
1et6 SUPERANTIGEN SMEZ-2

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 VAL A  83
TYR A  86
PRO A  72
PHE A  46
 None
 1.44A 3d91B-1et6A:
0.0		 3d91B-1et6A:
19.45
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.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		4 VAL A 665
TYR A 813
PRO A 818
PHE A 618
 None
 1.32A 3d91B-1no7A:
0.0		 3d91B-1no7A:
20.33
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.
1vkh PUTATIVE SERINE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF07859
(Abhydrolase_3) 		4 VAL A 111
TYR A 181
PRO A  82
PHE A 115
 None
 1.33A 3d91B-1vkhA:
0.0		 3d91B-1vkhA:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		4 VAL A  31
TYR A  78
PRO A 113
PHE A 119
 4IG  A 885 (-4.3A)
4IG  A 885 (-4.0A)
4IG  A 885 (-4.7A)
None
 0.57A 3d91B-2g1sA:
53.6		 3d91B-2g1sA:
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.
2ozh HYPOTHETICAL PROTEIN
XCC2953

(Xanthomonas
campestris) 		PF13508
(Acetyltransf_7) 		4 VAL A  61
TYR A  65
PRO A  97
PHE A  47
 None
 1.41A 3d91B-2ozhA:
0.0		 3d91B-2ozhA:
20.57
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.
3ceg BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF00179
(UQ_con) 		4 VAL A4625
TYR A4699
PRO A4592
PHE A4627
 None
 1.23A 3d91B-3cegA:
0.0		 3d91B-3cegA:
21.45
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		4 VAL A 284
TYR A 266
PRO A  32
PHE A  37
 None
 1.32A 3d91B-3lm6A:
0.0		 3d91B-3lm6A:
23.06
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.
3lma STAGE V SPORULATION
PROTEIN AD (SPOVAD)

(Bacillus
licheniformis) 		PF07451
(SpoVAD) 		4 VAL A 284
TYR A 266
PRO A  32
PHE A  37
 None
 1.30A 3d91B-3lmaA:
0.0		 3d91B-3lmaA:
22.08
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.
3rpw ABC TRANSPORTER

(Rhodopseudomonas
palustris) 		PF13416
(SBP_bac_8) 		4 VAL A 299
TYR A 237
PRO A 223
PHE A 297
 None
GOL  A 364 (-4.2A)
None
GOL  A 364 (-4.9A)
 1.40A 3d91B-3rpwA:
undetectable		 3d91B-3rpwA:
20.91
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.
4ebz CHITIN ELICITOR
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF01476
(LysM) 		4 VAL A 199
TYR A 209
PRO A 211
PHE A 201
 None
 1.44A 3d91B-4ebzA:
undetectable		 3d91B-4ebzA:
19.48
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.
4gys ALLOPHANATE
HYDROLASE

(Granulibacter
bethesdensis) 		PF01425
(Amidase) 		4 VAL A 138
TYR A 447
PRO A 408
PHE A 139
 None
 1.35A 3d91B-4gysA:
undetectable		 3d91B-4gysA:
20.36
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		4 VAL A 251
TYR A 246
PRO A 183
PHE A 208
 None
 1.37A 3d91B-4q6tA:
undetectable		 3d91B-4q6tA:
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.
4u6b CONSERVED
HYPOTHETICAL
LIPOPROTEIN

(Zobellia
galactanivorans) 		PF04616
(Glyco_hydro_43) 		4 VAL A 233
TYR A 195
PRO A 252
PHE A 293
 None
 1.50A 3d91B-4u6bA:
undetectable		 3d91B-4u6bA:
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.
4u6d CONSERVED
HYPOTHETICAL
PERIPLASMIC PROTEIN

(Zobellia
galactanivorans) 		no annotation 4 VAL A 215
TYR A 177
PRO A 234
PHE A 271
 None
EDO  A 512 ( 4.9A)
None
None
 1.45A 3d91B-4u6dA:
undetectable		 3d91B-4u6dA:
21.83
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.
5hd9 ENCAPSIDATION
PROTEIN

(Bacillus virus
phi29) 		PF05894
(Podovirus_Gp16) 		4 VAL A  80
TYR A  51
PRO A  38
PHE A  66
 None
 1.24A 3d91B-5hd9A:
undetectable		 3d91B-5hd9A:
18.84
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		4 VAL A 122
TYR A 157
PRO A 189
PHE A 103
 None
 1.43A 3d91B-5infA:
undetectable		 3d91B-5infA:
21.89
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 VAL A 946
TYR A1365
PRO A 955
PHE A 947
 None
 1.31A 3d91B-5ip9A:
undetectable		 3d91B-5ip9A:
11.04
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.
6ejb XYLOSYLTRANSFERASE 1

(Homo sapiens) 		no annotation 4 VAL A 839
TYR A 867
PRO A 810
PHE A 837
 None
 1.28A 3d91B-6ejbA:
undetectable		 3d91B-6ejbA:
12.61