SIMILAR PATTERNS OF AMINO ACIDS FOR 6CGD_A_AKNA600

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.
1a2o CHEB METHYLESTERASE

(Salmonella
enterica) 		PF00072
(Response_reg)
PF01339
(CheB_methylest) 		5 GLY A 111
TYR A 119
ASP A  56
ASP A  10
VAL A  79
 None
 1.27A 6cgdA-1a2oA:
0.0		 6cgdA-1a2oA:
10.94
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		5 GLY A 497
ASP A 242
VAL A 203
GLU A 205
TYR A 191
 None
 1.46A 6cgdA-1b2hA:
2.5		 6cgdA-1b2hA:
8.89
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.
1jj7 PEPTIDE TRANSPORTER
TAP1

(Homo sapiens) 		PF00005
(ABC_tran) 		5 GLY A 538
ASP A 668
ASP A 667
VAL A 681
GLU A 682
 None
None
MG  A 902 ( 4.1A)
None
None
 1.45A 6cgdA-1jj7A:
undetectable		 6cgdA-1jj7A:
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.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 ASP A 420
TYR A  80
GLU A  81
VAL A  88
GLU A  85
 None
 1.14A 6cgdA-1nr6A:
0.4		 6cgdA-1nr6A:
10.82
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.
1tly NUCLEOSIDE-SPECIFIC
CHANNEL-FORMING
PROTEIN TSX

(Escherichia
coli) 		PF03502
(Channel_Tsx) 		5 GLY A 264
TYR A 265
GLU A  81
TYR A  53
GLU A  38
 None
 1.50A 6cgdA-1tlyA:
0.1		 6cgdA-1tlyA:
16.97
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		5 GLY A 197
TYR A 157
ASP A  65
GLU A 283
TYR A 512
 None
VDM  A1548 (-3.7A)
None
None
VDM  A1548 (-4.4A)
 1.05A 6cgdA-2jf4A:
0.6		 6cgdA-2jf4A:
8.79
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.
2p22 HYPOTHETICAL 12.0
KDA PROTEIN IN
ADE3-SER2 INTERGENIC
REGION
PROTEIN SRN2

(Saccharomyces
cerevisiae) 		PF07200
(Mod_r)
PF09452
(Mvb12) 		5 GLY C  90
ASP D  55
TYR D  51
GLU C 103
GLU C 104
 None
 1.50A 6cgdA-2p22C:
2.9		 6cgdA-2p22C:
17.80
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 GLY A 449
TYR A 441
ASP A 546
TYR A 548
VAL A 411
 None
 1.28A 6cgdA-2xsgA:
1.6		 6cgdA-2xsgA:
6.29
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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 GLY A 497
ASP A 242
VAL A 203
GLU A 205
TYR A 191
 None
 1.47A 6cgdA-2z23A:
2.0		 6cgdA-2z23A:
11.07
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.
3b9n ALKANE MONOOXYGENASE

(Geobacillus
thermodenitrificans) 		PF00296
(Bac_luciferase) 		5 GLY A 420
TYR A 422
ASP A 426
GLU A 177
GLU A 173
 None
 1.48A 6cgdA-3b9nA:
0.0		 6cgdA-3b9nA:
10.71
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 GLY A 187
TYR A 190
ASP A 365
TYR A 282
TYR A 343
 None
ACY  A 481 (-4.6A)
ACY  A 481 ( 2.5A)
FMT  A 482 (-4.4A)
FMT  A 483 (-4.4A)
 1.44A 6cgdA-3gipA:
undetectable		 6cgdA-3gipA:
9.59
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.
3kb3 PROTEIN PHOSPHATASE
2C 16

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 GLY B 387
ASP B 432
ASP B 436
GLU B 203
GLU B 201
 None
MG  B 997 ( 2.9A)
None
None
None
 1.29A 6cgdA-3kb3B:
undetectable		 6cgdA-3kb3B:
12.54
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.
3kdj PROTEIN PHOSPHATASE
2C 56

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 GLY B 302
ASP B 347
ASP B 351
GLU B 142
GLU B 140
 None
MN  B 435 (-2.9A)
None
None
None
 1.32A 6cgdA-3kdjB:
undetectable		 6cgdA-3kdjB:
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.
3rrp PROBABLE FUMARATE
HYDRATASE FUM

(Mycobacteroides
abscessus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A  40
GLU A 111
VAL A  17
GLU A  10
GLU A  34
 None
 1.44A 6cgdA-3rrpA:
undetectable		 6cgdA-3rrpA:
10.87
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 GLY A 221
ASP A 497
ASP A 227
GLU A 488
GLU A 175
 None
 1.39A 6cgdA-3uszA:
0.0		 6cgdA-3uszA:
7.24
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		5 GLY B  84
GLU B  99
VAL B 156
GLU B 153
TYR B 157
 None
 1.27A 6cgdA-4dhiB:
4.1		 6cgdA-4dhiB:
13.68
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.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		5 GLY X  80
ASP X 145
TYR X  88
VAL X  69
TYR X  56
 None
 1.46A 6cgdA-4n5iX:
0.4		 6cgdA-4n5iX:
13.95
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 GLY A 460
TYR A 397
ASP A 310
GLU A 257
GLU A 314
 None
CS  A 812 (-4.4A)
None
None
CS  A 803 (-2.9A)
 1.41A 6cgdA-4txgA:
undetectable		 6cgdA-4txgA:
7.74
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLY A 547
ASP A 329
ASP A 327
GLU A 195
VAL A 628
 None
None
None
GOL  A 801 ( 4.6A)
None
 1.32A 6cgdA-5oljA:
undetectable		 6cgdA-5oljA:
8.44
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.
5tjf ALLOPHYCOCYANIN
ALPHA SUBUNIT
ALLOPHYCOCYANIN BETA
SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		5 GLY A  95
ASP B   3
TYR B  30
VAL B  38
GLU B  35
 None
None
None
None
PEG  B 202 ( 2.8A)
 1.32A 6cgdA-5tjfA:
1.6		 6cgdA-5tjfA:
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 5 GLY A 484
ASP A 167
ASP A 325
TYR A 320
GLU A 275
 None
ZN  A 902 (-2.0A)
ZN  A 901 ( 2.1A)
None
None
 1.42A 6cgdA-6c01A:
undetectable		 6cgdA-6c01A:
13.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 9 GLY A 211
ASP A 374
ASP A 396
TYR A 408
GLU A 411
VAL A 444
GLU A 445
TYR A 448
GLU A 451
 GNP  A 500 ( 4.3A)
GNP  A 500 (-4.6A)
MG  A 702 ( 4.8A)
None
None
None
None
None
None
 0.28A 6cgdA-6ceyA:
43.8		 6cgdA-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 GLY A 211
ASP A 374
ASP A 396
TYR A 408
GLU A 416
 GNP  A 500 ( 4.3A)
GNP  A 500 (-4.6A)
MG  A 702 ( 4.8A)
None
None
 1.29A 6cgdA-6ceyA:
43.8		 6cgdA-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 GLY A 211
ASP A 396
VAL A 444
TYR A 448
GLU A 451
 GNP  A 500 ( 4.3A)
MG  A 702 ( 4.8A)
None
None
None
 1.27A 6cgdA-6ceyA:
43.8		 6cgdA-6ceyA:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 5 GLY A 884
ASP A 778
VAL A 898
GLU A 903
TYR A 904
 None
 1.27A 6cgdA-6fa5A:
undetectable		 6cgdA-6fa5A:
20.88