SIMILAR PATTERNS OF AMINO ACIDS FOR 5GPG_A_RAPA301_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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 LEU A 293
ARG A 101
THR A 250
ASP A 254
PHE A 289
 None
 1.49A 5gpgB-2yh2A:
0.5		 5gpgB-2yh2A:
15.44
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.
3b7y E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00168
(C2) 		5 LEU A 244
ARG A 124
THR A 163
TRP A 172
PHE A 189
 None
 1.44A 5gpgB-3b7yA:
undetectable		 5gpgB-3b7yA:
17.61
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.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		5 LEU A  80
ARG A  87
THR A 119
TYR A  75
PHE A  79
 None
 1.36A 5gpgB-3e53A:
0.2		 5gpgB-3e53A:
12.47
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.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		5 LEU A 157
SER A 141
THR A 101
ASP A  99
PHE A 150
 None
 1.47A 5gpgB-3l6dA:
0.0		 5gpgB-3l6dA:
14.63
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 PHE B2864
THR B2794
ASP B2846
TYR B2845
PHE B2826
 None
 1.23A 5gpgB-4bedB:
0.3		 5gpgB-4bedB:
4.32
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.
4bmr RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus cereus) 		PF00268
(Ribonuc_red_sm) 		5 ARG A  53
THR A  39
TRP A  40
ASP A  36
PHE A 104
 None
 1.46A 5gpgB-4bmrA:
1.3		 5gpgB-4bmrA:
15.02
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 311
ARG A 372
PHE A 370
THR A 296
ASP A 300
 None
 1.40A 5gpgB-4gaxA:
2.2		 5gpgB-4gaxA:
11.52
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.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 SER A 340
ARG A 342
THR A 226
ASP A 225
PHE A 310
 None
 1.49A 5gpgB-4hwiA:
undetectable		 5gpgB-4hwiA:
13.26
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.
4o26 TELOMERASE REVERSE
TRANSCRIPTASE

(Oryzias latipes) 		PF12009
(Telomerase_RBD) 		5 LEU A 523
ARG A 433
PHE A 454
THR A 513
ASP A 517
 None
SO4  A 607 (-3.8A)
None
None
None
 1.28A 5gpgB-4o26A:
0.0		 5gpgB-4o26A:
17.32
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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU A 403
THR A 378
ASP A 219
TYR A 400
PHE A 402
 None
 1.29A 5gpgB-4px9A:
0.0		 5gpgB-4px9A:
14.98
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 403
THR A 378
ASP A 219
TYR A 400
PHE A 402
 None
 1.28A 5gpgB-5e7jA:
0.0		 5gpgB-5e7jA:
12.36
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 LEU A2031
SER A2035
THR A2098
TRP A2101
PHE A2108
 None
 0.94A 5gpgB-5h64A:
14.2		 5gpgB-5h64A:
4.43
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		5 LEU A 878
SER A 882
ARG A 884
PHE A 886
THR A 900
 None
 1.33A 5gpgB-5hb1A:
1.5		 5gpgB-5hb1A:
8.27
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
PUTATIVE PRE-MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
PF08084
(PROCT) 		5 LEU B2275
SER A1337
PHE A1338
ASP A1276
PHE B2245
 None
 1.34A 5gpgB-5m59B:
undetectable		 5gpgB-5m59B:
16.27