SIMILAR PATTERNS OF AMINO ACIDS FOR 2X8O_A_OINA1314_1

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.
1leh LEUCINE
DEHYDROGENASE

(Lysinibacillus
sphaericus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LYS A 159
ASP A 169
TYR A 314
GLU A 318
 None
 1.24A 2x8oA-1lehA:
undetectable		 2x8oA-1lehA:
20.83
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		4 LYS A 147
ASP A 217
TYR A 160
GLU A 219
 None
 1.22A 2x8oA-1q6hA:
0.0		 2x8oA-1q6hA:
20.19
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.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 LYS A 382
ARG A 378
TYR A  53
GLU A 312
 None
 1.48A 2x8oA-1u3dA:
0.0		 2x8oA-1u3dA:
18.22
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.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 LYS A 220
ASP A 217
ARG A 221
GLU A 218
 None
 1.45A 2x8oA-1v5vA:
0.0		 2x8oA-1v5vA:
23.15
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 LYS A 668
ASP A 672
ARG A 624
TYR A 665
 PGR  A 804 (-2.9A)
None
PGR  A 805 (-4.2A)
PGR  A 804 (-4.5A)
 1.39A 2x8oA-1yiqA:
0.0		 2x8oA-1yiqA:
18.54
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.
2if4 ATFKBP42

(Arabidopsis
thaliana) 		PF00254
(FKBP_C)
PF13181
(TPR_8) 		4 LYS A  66
ASP A 180
ARG A 181
GLU A 160
 None
 1.43A 2x8oA-2if4A:
0.0		 2x8oA-2if4A:
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.
2jmm OUTER MEMBRANE
PROTEIN A

(Escherichia
coli) 		PF01389
(OmpA_membrane) 		4 LYS A  62
ARG A  78
TYR A  76
GLU A 129
 None
 1.25A 2x8oA-2jmmA:
0.0		 2x8oA-2jmmA:
19.75
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.
2lcj PAB POLC INTEIN

(Pyrococcus
abyssi) 		PF14890
(Intein_splicing) 		4 LYS A  41
ASP A  30
ARG A  40
GLU A  31
 None
 1.23A 2x8oA-2lcjA:
0.0		 2x8oA-2lcjA:
19.87
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.
2x66 PRNB

(Pseudomonas
fluorescens) 		PF08933
(DUF1864) 		4 ASP A   6
ARG A   7
TYR A 181
GLU A 177
 None
 1.37A 2x8oA-2x66A:
0.0		 2x8oA-2x66A:
18.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x8p CHOLINE-BINDING
PROTEIN F

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		5 LYS A  10
ASP A  11
ARG A  13
TYR A  15
GLU A  41
 None
 0.31A 2x8oA-2x8pA:
37.2		 2x8oA-2x8pA:
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.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		4 LYS A 318
ASP A  53
TYR A 320
GLU A  44
 FMT  A2060 ( 4.0A)
FMT  A2060 (-3.6A)
None
None
 1.28A 2x8oA-3c7oA:
undetectable		 2x8oA-3c7oA:
20.56
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.
3gef LAMIN-A/C

(Homo sapiens) 		PF00932
(LTD) 		4 LYS A 490
ASP A 461
ARG A 439
GLU A 460
 None
 1.14A 2x8oA-3gefA:
undetectable		 2x8oA-3gefA:
17.74
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		4 LYS X 207
ARG X 208
TYR X 204
GLU X  94
 None
 1.33A 2x8oA-3ighX:
undetectable		 2x8oA-3ighX:
21.55
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 ASP A 254
ARG A 331
TYR A 333
GLU A 275
 None
 1.19A 2x8oA-3oepA:
undetectable		 2x8oA-3oepA:
20.82
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.
3ol2 PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 ASP B 359
ARG B 210
TYR B 214
GLU B 213
 None
 1.09A 2x8oA-3ol2B:
undetectable		 2x8oA-3ol2B:
17.19
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.
3stt METHYLKETONE
SYNTHASE I

(Solanum
habrochaites) 		PF12697
(Abhydrolase_6) 		4 LYS A 206
ASP A 233
TYR A 264
GLU A 234
 None
 1.40A 2x8oA-3sttA:
undetectable		 2x8oA-3sttA:
21.18
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A1103
ARG A1180
TYR A1182
GLU A1124
 None
GOL  A1908 (-3.4A)
None
None
 1.03A 2x8oA-3va7A:
undetectable		 2x8oA-3va7A:
13.85
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.
4ozu CORONIN

(Toxoplasma
gondii) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		4 ASP A  91
ARG A  90
TYR A  43
GLU A  42
 None
ACT  A 402 (-4.7A)
None
None
 1.28A 2x8oA-4ozuA:
undetectable		 2x8oA-4ozuA:
22.78
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.
5dqr 7-HYDROXYMETHYL
CHLOROPHYLL A
REDUCTASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		4 LYS A 103
ASP A 109
ARG A 102
GLU A  94
 None
 1.05A 2x8oA-5dqrA:
undetectable		 2x8oA-5dqrA:
21.00
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A1103
ARG A1180
TYR A1182
GLU A1124
 None
 1.04A 2x8oA-5i8iA:
undetectable		 2x8oA-5i8iA:
10.33
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.
5kj8 SYNAPTOTAGMIN-1

(Rattus
norvegicus) 		PF00168
(C2) 		4 LYS E 144
ASP E 261
ARG E 260
GLU E 258
 None
 1.43A 2x8oA-5kj8E:
undetectable		 2x8oA-5kj8E:
21.32
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.
5okl AFAMIN

(Homo sapiens) 		no annotation 4 LYS A  53
ASP A  54
ARG A  55
GLU A  51
 None
 1.35A 2x8oA-5oklA:
undetectable		 2x8oA-5oklA:
15.14
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.
5vxc CITRATE LYASE
SUBUNIT BETA-LIKE
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 LYS A  58
ASP A  55
ARG A  89
GLU A  56
 COA  A 401 (-4.3A)
None
None
None
 1.44A 2x8oA-5vxcA:
undetectable		 2x8oA-5vxcA:
21.67
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.
5x3e KINESIN-LIKE PROTEIN

(Caenorhabditis
elegans) 		PF00225
(Kinesin) 		4 ASP A 325
ARG A 273
TYR A 213
GLU A 270
 None
 1.45A 2x8oA-5x3eA:
undetectable		 2x8oA-5x3eA:
21.12
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.
5xfm ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A 341
ARG A 383
TYR A 367
GLU A 393
 None
 1.25A 2x8oA-5xfmA:
undetectable		 2x8oA-5xfmA:
14.94
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		4 LYS A 317
ASP A 308
ARG A  72
GLU A 307
 None
 1.21A 2x8oA-5y1iA:
undetectable		 2x8oA-5y1iA:
20.37
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.
6f1t BICD FAMILY-LIKE
CARGO ADAPTER 1,BICD
FAMILY-LIKE CARGO
ADAPTER 1,BICD
FAMILY-LIKE CARGO
ADAPTER 1,BICDR-1

(Mus musculus) 		no annotation 4 LYS X 198
ASP X 195
ARG X 196
GLU X 193
 None
 1.33A 2x8oA-6f1tX:
undetectable		 2x8oA-6f1tX:
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.
6f1u BICD FAMILY-LIKE
CARGO ADAPTER 1

(Mus musculus) 		no annotation 4 LYS X 198
ASP X 195
ARG X 196
GLU X 193
 None
 1.33A 2x8oA-6f1uX:
undetectable		 2x8oA-6f1uX:
12.54