SIMILAR PATTERNS OF AMINO ACIDS FOR 3UA5_B_06XB502

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.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 LEU A 140
LEU A 177
PRO A  38
PHE A 157
VAL A 142
 None
None
BAL  A 802 ( 4.9A)
None
BAL  A 802 (-4.7A)
 1.17A 3ua5B-1n2oA:
0.0		 3ua5B-1n2oA:
21.11
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.
1o9g RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF11599
(AviRa) 		5 LEU A 173
ARG A   5
GLU A 228
LEU A 230
VAL A 209
 None
 1.28A 3ua5B-1o9gA:
0.0		 3ua5B-1o9gA:
21.38
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.
1x27 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		5 LEU A 205
GLU A 125
LEU A 122
PRO A 223
PHE A 151
 None
 1.48A 3ua5B-1x27A:
undetectable		 3ua5B-1x27A:
15.55
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.
2du7 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF01409
(tRNA-synt_2d) 		5 LEU A 265
ARG A  67
GLN A 268
GLU A  77
PHE A 221
 None
 1.45A 3ua5B-2du7A:
0.0		 3ua5B-2du7A:
22.38
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.
2hxr HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CYNR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		5 LEU A 141
LEU A 155
MET A 127
GLU A 130
VAL A  97
 None
 1.43A 3ua5B-2hxrA:
0.0		 3ua5B-2hxrA:
22.32
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.
2nrx UVRABC SYSTEM
PROTEIN C

(Thermotoga
maritima) 		PF08459
(UvrC_HhH_N) 		5 LEU A 479
ARG A 489
PRO A 388
GLU A 486
PHE A 383
 None
 1.43A 3ua5B-2nrxA:
0.0		 3ua5B-2nrxA:
20.70
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.
2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00583
(Acetyltransf_1)
PF00696
(AA_kinase) 		5 LEU A 434
GLU A 353
LEU A 343
PRO A 413
VAL A 431
 None
 1.36A 3ua5B-2r98A:
undetectable		 3ua5B-2r98A:
23.20
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.
2ykf PROBABLE SENSOR
HISTIDINE KINASE
PDTAS

(Mycobacterium
tuberculosis) 		PF12282
(H_kinase_N) 		5 LEU A 265
LEU A 277
MET A 156
GLU A  28
PHE A 162
 None
 1.46A 3ua5B-2ykfA:
0.0		 3ua5B-2ykfA:
21.04
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.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		5 LEU A  12
ARG A 149
GLU A 175
GLU A 146
VAL A 172
 None
 1.37A 3ua5B-3looA:
0.0		 3ua5B-3looA:
23.01
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLN A 638
LEU A   7
GLU A 680
PHE A 676
VAL A 616
 None
 1.46A 3ua5B-3muoA:
1.2		 3ua5B-3muoA:
21.41
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.
3phf ENVELOPE
GLYCOPROTEIN H

(Human
gammaherpesvirus
4) 		no annotation 5 LEU A  74
ARG A 208
GLU A  63
PRO A 210
PHE A 211
 None
 1.31A 3ua5B-3phfA:
0.6		 3ua5B-3phfA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 ARG A  73
GLN A 215
LEU A 219
PRO A 368
GLU A 387
 None
 1.07A 3ua5B-3tk3A:
53.6		 3ua5B-3tk3A:
79.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 GLN A 215
GLU A 218
LEU A 219
PRO A 368
GLU A 387
VAL A 477
 None
 1.34A 3ua5B-3tk3A:
53.6		 3ua5B-3tk3A:
79.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 LEU A 219
PRO A 368
GLU A 387
PHE A 389
VAL A 477
 None
 1.06A 3ua5B-3tk3A:
53.6		 3ua5B-3tk3A:
79.20
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.
3v96 METALLOPROTEINASE
INHIBITOR 1

(Homo sapiens) 		PF00965
(TIMP) 		5 LEU A 146
GLN A 160
LEU A 152
PRO A   5
VAL A 129
 None
 1.37A 3ua5B-3v96A:
undetectable		 3ua5B-3v96A:
16.81
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		5 LEU A 497
LEU A  60
PRO A 486
GLU A 374
PHE A 491
 None
 1.23A 3ua5B-4kvlA:
0.8		 3ua5B-4kvlA:
21.71
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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		5 ARG A 456
GLU A 387
LEU A 390
GLU A 452
VAL A 394
 None
 1.10A 3ua5B-4nz0A:
0.0		 3ua5B-4nz0A:
24.39
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 GLN B 360
GLU B 394
PRO B 305
GLU B 341
PHE B 340
 None
 1.44A 3ua5B-4tx2B:
undetectable		 3ua5B-4tx2B:
23.42
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.
5fds PROFILIN-2

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 LEU A 101
GLU A  46
LEU A  65
PRO A  40
PHE A  39
 None
 1.49A 3ua5B-5fdsA:
undetectable		 3ua5B-5fdsA:
13.01
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 LEU A  74
GLU A 642
GLU A  31
PHE A  19
VAL A  69
 None
 1.30A 3ua5B-5h2vA:
undetectable		 3ua5B-5h2vA:
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.
5lst ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 845
ARG A 623
MET A 915
GLU A 921
VAL A 910
 None
 1.49A 3ua5B-5lstA:
undetectable		 3ua5B-5lstA:
21.37
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 5 LEU A 889
ARG A 515
LEU A 560
GLU A 517
VAL A 525
 None
 1.38A 3ua5B-5u30A:
0.0		 3ua5B-5u30A:
18.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 6 ARG A  73
GLN A 215
GLU A 218
LEU A 219
PRO A 368
GLU A 387
 None
 1.11A 3ua5B-5wbgA:
54.8		 3ua5B-5wbgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 6 ARG A  73
GLN A 215
LEU A 219
PRO A 368
GLU A 387
VAL A 477
 None
 1.20A 3ua5B-5wbgA:
54.8		 3ua5B-5wbgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 6 ARG A  73
LEU A 219
PRO A 368
GLU A 387
PHE A 389
VAL A 477
 None
 1.11A 3ua5B-5wbgA:
54.8		 3ua5B-5wbgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 MET A 365
PRO A 368
GLU A 387
PHE A 389
VAL A 477
 None
 0.76A 3ua5B-5wbgA:
54.8		 3ua5B-5wbgA:
100.00