SIMILAR PATTERNS OF AMINO ACIDS FOR 4JXC_A_SAMA402

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.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 TYR A  36
CYH A  37
SER A  82
GLY A 198
ILE A  71
 None
545  A 421 ( 4.2A)
None
None
None
 1.20A 4jxcA-1jikA:
1.0		 4jxcA-1jikA:
21.50
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 CYH A 166
SER A 131
GLY A 129
ILE A 194
LEU A 162
 None
FAD  A 400 ( 4.0A)
None
None
None
 1.42A 4jxcA-2q0lA:
undetectable		 4jxcA-2q0lA:
20.49
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 TYR A 487
CYH A 622
GLY A 506
ILE A 627
TYR A 624
 None
 1.29A 4jxcA-2x58A:
0.3		 4jxcA-2x58A:
19.88
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLN A 535
ARG A 547
ILE A 360
TYR A 474
LEU A 332
 None
 1.08A 4jxcA-2yfnA:
6.6		 4jxcA-2yfnA:
18.16
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.
3fot 15-O-ACETYLTRANSFERA
SE

(Fusarium
sporotrichioides) 		PF07428
(Tri3) 		5 TYR A  54
GLY A 144
ARG A 145
ILE A 180
LEU A 137
 None
 1.36A 4jxcA-3fotA:
undetectable		 4jxcA-3fotA:
20.16
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.
3im8 MALONYL ACYL CARRIER
PROTEIN TRANSACYLASE

(Streptococcus
pneumoniae) 		PF00698
(Acyl_transf_1) 		5 TYR A  81
GLN A 297
ILE A 272
TYR A  26
LEU A  75
 None
 1.47A 4jxcA-3im8A:
undetectable		 4jxcA-3im8A:
23.12
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 GLN A 195
GLY A 185
ILE A  54
TYR A 193
LEU A 105
 None
 1.40A 4jxcA-3lppA:
4.5		 4jxcA-3lppA:
16.26
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.
3m2t PROBABLE
DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA) 		5 SER A 120
ARG A 306
ILE A 321
LEU A 106
TYR A 318
 None
 1.35A 4jxcA-3m2tA:
undetectable		 4jxcA-3m2tA:
21.23
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.
3n0w ABC BRANCHED CHAIN
AMINO ACID FAMILY
TRANSPORTER,
PERIPLASMIC LIGAND
BINDING PROTEIN

(Paraburkholderia
xenovorans) 		PF13458
(Peripla_BP_6) 		5 SER A 308
GLY A 306
ILE A 320
LEU A 332
TYR A 331
 None
 1.42A 4jxcA-3n0wA:
1.8		 4jxcA-3n0wA:
23.46
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 CYH A 167
SER A 132
GLY A 130
ILE A 195
LEU A 163
 None
 1.46A 4jxcA-3r9uA:
undetectable		 4jxcA-3r9uA:
22.19
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.
3stb SINGLE DOMAIN
ANTIBODY VHH
RNA-EDITING COMPLEX
PROTEIN MP42
MP18 RNA EDITING
COMPLEX PROTEIN

(Lama glama;
Trypanosoma
brucei;
Trypanosoma
brucei) 		PF07686
(V-set)
no annotation
PF00436
(SSB) 		5 SER C 324
GLY C 326
ARG A  29
ILE A 110
TYR D 117
 None
 1.39A 4jxcA-3stbC:
undetectable		 4jxcA-3stbC:
16.09
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.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		5 TYR X 195
GLN X  14
SER X  44
GLY X  88
MET X 257
 ACT  X1288 (-4.7A)
None
None
ZN  X1291 ( 4.5A)
ACT  X1288 ( 4.9A)
 1.46A 4jxcA-4ac1X:
6.2		 4jxcA-4ac1X:
20.58
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLY A 216
ILE A 119
TYR A 201
LEU A 129
TYR A 121
 None
 1.28A 4jxcA-4b9yA:
7.9		 4jxcA-4b9yA:
18.10
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.
4f3l CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT
BMAL1B

(Mus musculus;
Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 CYH A 195
SER A 153
GLY A 129
ILE B 333
TYR A 210
 None
 1.15A 4jxcA-4f3lA:
undetectable		 4jxcA-4f3lA:
21.72
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLN A 543
ARG A 555
ILE A 360
TYR A 474
LEU A 332
 None
 1.23A 4jxcA-4fnqA:
4.0		 4jxcA-4fnqA:
19.07
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 5 SER A 237
GLY A 216
MET A 336
ILE A 326
LEU A 292
 None
 1.47A 4jxcA-4g4iA:
undetectable		 4jxcA-4g4iA:
20.54
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.
4hr6 LECTIN
LECTIN

(Trichosanthes
anguina;
Trichosanthes
anguina) 		no annotation
PF00161
(RIP) 		5 SER B 165
GLY A  21
ILE B  63
TYR B  51
LEU B  53
 None
 1.42A 4jxcA-4hr6B:
undetectable		 4jxcA-4hr6B:
20.51
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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		5 GLN A 269
SER A 147
ARG A 180
TYR A 343
TYR A 106
 None
None
GOL  A 410 (-3.5A)
ACT  A 413 ( 4.6A)
ACT  A 413 ( 3.9A)
 1.46A 4jxcA-4i1dA:
undetectable		 4jxcA-4i1dA:
19.95
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.
4iu2 CELL-WALL ANCHORING
PROTEIN
CELLULOSE-BINDING
PROTEIN

(Ruminococcus
flavefaciens;
Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		5 GLN A 173
GLY A  70
ARG B 134
TYR A  19
LEU A  21
 None
None
SO4  A 302 (-3.2A)
None
None
 1.38A 4jxcA-4iu2A:
undetectable		 4jxcA-4iu2A:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		12 TYR A  69
CYH A  70
GLN A 107
SER A 136
GLY A 138
ARG A 159
ARG A 180
MET A 199
ILE A 231
TYR A 303
LEU A 305
TYR A 306
 SAM  A 402 (-4.6A)
SF4  A 401 (-2.2A)
SAM  A 402 ( 3.8A)
SAM  A 402 (-3.9A)
SAM  A 402 (-3.8A)
SAM  A 402 ( 4.2A)
SAM  A 402 (-3.3A)
SAM  A 402 (-3.5A)
SAM  A 402 (-4.4A)
None
SAM  A 402 (-3.3A)
SAM  A 402 ( 4.6A)
 0.20A 4jxcA-4jxcA:
66.2		 4jxcA-4jxcA:
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 TYR A  58
GLN A 342
SER A 273
GLY A 357
ILE A 160
 None
 1.21A 4jxcA-5mlgA:
undetectable		 4jxcA-5mlgA:
undetectable
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 SER A 124
GLY A 127
ILE A 184
TYR A 145
LEU A 178
 None
 1.12A 4jxcA-5vncA:
2.0		 4jxcA-5vncA:
undetectable
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 TYR A 415
GLN A 239
SER A 249
GLY A 247
ILE A 382
 None
 1.29A 4jxcA-5xbpA:
undetectable		 4jxcA-5xbpA:
22.89