SIMILAR PATTERNS OF AMINO ACIDS FOR 6BRD_A_RFPA502_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.
1nfd N15 ALPHA-BETA
T-CELL RECEPTOR

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 GLN B 213
VAL B 157
ARG A 134
ARG B 211
 NAG  B 251 (-3.5A)
None
None
None
 1.17A 6brdA-1nfdB:
undetectable		 6brdA-1nfdB:
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.
1olp ALPHA-TOXIN

(Clostridium
sardiniense) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 GLN A  17
VAL A 232
ARG A 158
ARG A 163
 None
 1.41A 6brdA-1olpA:
1.2		 6brdA-1olpA:
12.02
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.
1vlv ORNITHINE
CARBAMOYLTRANSFERASE

(Thermotoga
maritima) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLN A 138
VAL A 232
ARG A  61
ARG A 300
 None
None
None
PO4  A 314 (-3.2A)
 1.46A 6brdA-1vlvA:
0.4		 6brdA-1vlvA:
13.76
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.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		4 GLN A 332
VAL A 359
ARG A 344
ARG A 497
 None
 1.40A 6brdA-2f9qA:
0.0		 6brdA-2f9qA:
12.39
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.
2gti REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF06471
(NSP11) 		4 GLN A 224
VAL A 350
ARG A 284
ARG A 226
 SO4  A 502 ( 4.2A)
None
None
None
 1.45A 6brdA-2gtiA:
undetectable		 6brdA-2gtiA:
14.38
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.
2h0d B LYMPHOMA MO-MLV
INSERTION REGION
UBIQUITIN LIGASE
PROTEIN RING2

(Homo sapiens) 		PF13923
(zf-C3HC4_2) 		4 GLN B  29
VAL A  79
ARG A  45
ARG A  93
 None
 0.97A 6brdA-2h0dB:
undetectable		 6brdA-2h0dB:
18.18
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.
2iih MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
C

(Thermus
thermophilus) 		PF01967
(MoaC) 		4 GLN A 139
VAL A 136
ARG A  85
ARG A 141
 None
 1.25A 6brdA-2iihA:
undetectable		 6brdA-2iihA:
20.38
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.
3ddj CBS
DOMAIN-CONTAINING
PROTEIN

(Sulfolobus
solfataricus) 		PF00571
(CBS) 		4 GLN A 148
VAL A 173
ARG A 258
ARG A 166
 None
 1.10A 6brdA-3ddjA:
undetectable		 6brdA-3ddjA:
16.36
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.
3f1r FIBROBLAST GROWTH
FACTOR 20

(Homo sapiens) 		PF00167
(FGF) 		4 GLN A 142
VAL A 108
ARG A 176
ARG A 183
 None
 1.12A 6brdA-3f1rA:
undetectable		 6brdA-3f1rA:
19.91
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLN A 188
VAL A 176
ARG A  87
ARG A 192
 None
 1.44A 6brdA-3ic9A:
11.1		 6brdA-3ic9A:
11.46
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		4 GLN A  25
VAL A  20
ARG A  69
ARG A  77
 None
 1.40A 6brdA-3n2oA:
undetectable		 6brdA-3n2oA:
8.33
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.
3nxl GLUCARATE
DEHYDRATASE

(Burkholderia
lata) 		PF13378
(MR_MLE_C) 		4 GLN A 426
VAL A  22
ARG A 415
ARG A 397
 None
 1.05A 6brdA-3nxlA:
undetectable		 6brdA-3nxlA:
12.05
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.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		4 GLN A 283
VAL A 215
ARG A 234
ARG A 229
 None
 1.14A 6brdA-3vc1A:
3.0		 6brdA-3vc1A:
14.42
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.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		4 GLN A  91
VAL A 143
ARG A  58
ARG A 125
 None
 1.31A 6brdA-4ah6A:
1.1		 6brdA-4ah6A:
10.27
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.
4bom ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		4 GLN A 616
VAL A 613
ARG A 562
ARG A 624
 None
 1.25A 6brdA-4bomA:
undetectable		 6brdA-4bomA:
8.56
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.
4f2g ORNITHINE
CARBAMOYLTRANSFERASE
1

(Burkholderia
thailandensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLN A 137
VAL A 224
ARG A  60
ARG A 292
 None
None
PO4  A 403 (-3.1A)
PO4  A 402 (-3.0A)
 1.49A 6brdA-4f2gA:
0.8		 6brdA-4f2gA:
13.87
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		4 GLN A 291
VAL A 223
ARG A 242
ARG A 237
 None
 1.16A 6brdA-4f85A:
3.2		 6brdA-4f85A:
14.83
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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		4 GLN A 119
VAL A  99
ARG A 123
ARG A 112
 None
 1.25A 6brdA-4usrA:
12.6		 6brdA-4usrA:
14.16
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.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLN A 397
VAL A 438
ARG A 306
ARG A 355
 None
 1.49A 6brdA-4uzuA:
1.6		 6brdA-4uzuA:
10.29