SIMILAR PATTERNS OF AMINO ACIDS FOR 5XPR_A_K86A1201_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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ASP A 189
PRO A 652
GLU A 724
TYR A 771
 None
2MD  A 800 (-4.1A)
2MD  A 799 ( 4.5A)
2MD  A 799 (-4.8A)
 1.44A 5xprA-1tmoA:
0.0		 5xprA-1tmoA:
20.39
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A 222
PRO A 197
GLU A 198
TYR A 166
 None
 1.28A 5xprA-1xc6A:
0.0		 5xprA-1xc6A:
19.67
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.
1zh1 NON-STRUCTURAL
POLYPROTEIN

(Hepacivirus C) 		PF08300
(HCV_NS5a_1a)
PF08301
(HCV_NS5a_1b) 		4 ASP A 195
PRO A 192
GLU A 191
TYR A 129
 None
 1.37A 5xprA-1zh1A:
0.0		 5xprA-1zh1A:
15.70
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.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		4 ASP A 121
PRO A 155
GLU A  88
TYR A  93
 None
 1.37A 5xprA-2r9qA:
0.0		 5xprA-2r9qA:
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 228
PRO A 223
GLU A 221
TYR A  89
 None
None
MG  A 401 ( 3.1A)
GAE  A 411 (-4.8A)
 1.41A 5xprA-3hpfA:
0.0		 5xprA-3hpfA:
21.75
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A 221
PRO A 197
GLU A 198
TYR A 166
 None
 1.26A 5xprA-3ogrA:
1.5		 5xprA-3ogrA:
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ASP A 353
PRO A 391
GLU A 394
TYR A 398
 None
 1.37A 5xprA-3vtfA:
1.6		 5xprA-3vtfA:
22.47
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.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		4 ASP A 667
PRO A 670
GLU A 671
TYR A 764
 None
 1.34A 5xprA-4krfA:
0.0		 5xprA-4krfA:
19.19
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ASP A 344
PRO A 383
GLU A 386
TYR A 398
 None
None
P6G  A 601 (-3.9A)
P6G  A 601 (-4.0A)
 1.19A 5xprA-4w7sA:
0.0		 5xprA-4w7sA:
22.22
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A 221
PRO A 197
GLU A 198
TYR A 166
 None
 1.18A 5xprA-5ihrA:
1.2		 5xprA-5ihrA:
18.49
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A  47
PRO A  59
GLU A  58
TYR A 102
 None
 1.19A 5xprA-5wzeA:
0.7		 5xprA-5wzeA:
13.29