SIMILAR PATTERNS OF AMINO ACIDS FOR 3VXI_A_ASCA502

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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
GAMMA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF04268
(SoxG) 		4 ALA C 179
ASN C 120
ARG C 178
PRO C 177
 None
 1.41A 3vxiA-2gahC:
0.0		 3vxiA-2gahC:
19.19
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.
2oz8 MLL7089 PROTEIN

(Mesorhizobium
japonicum) 		PF13378
(MR_MLE_C) 		4 ALA A 338
ARG A 341
PRO A 119
HIS A 303
 None
 1.19A 3vxiA-2oz8A:
0.0		 3vxiA-2oz8A:
21.63
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.
2w47 LIPOLYTIC ENZYME,
G-D-S-L

(Ruminiclostridium
thermocellum) 		PF16990
(CBM_35) 		4 ALA A  66
ASN A  62
ARG A  68
PRO A  69
 None
None
UNF  A1138 (-2.9A)
None
 1.37A 3vxiA-2w47A:
undetectable		 3vxiA-2w47A:
14.93
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 ALA A 148
ASN A  92
ARG A 152
PRO A 150
 None
 1.36A 3vxiA-3egoA:
0.0		 3vxiA-3egoA:
19.64
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A  21
ARG A  15
PRO A 326
HIS A  23
 None
GAE  A 411 (-3.0A)
None
None
 1.33A 3vxiA-3hpfA:
0.0		 3vxiA-3hpfA:
23.28
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.
3om9 LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ALA A 164
ASN A 140
PRO A 250
HIS A 195
 NAD  A 701 (-3.7A)
OXQ  A 702 ( 3.2A)
NAD  A 701 ( 4.4A)
NAD  A 701 ( 3.5A)
 1.45A 3vxiA-3om9A:
0.0		 3vxiA-3om9A:
19.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 ALA A 190
ASN A 313
ARG A 315
PRO A 321
HIS A 326
 ASC  A 502 (-3.4A)
ASC  A 502 ( 3.0A)
HEM  A 501 ( 3.9A)
ASC  A 502 (-3.6A)
ASC  A 502 (-4.3A)
 0.01A 3vxiA-3vxiA:
73.0		 3vxiA-3vxiA:
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 ALA A 652
ASN A 659
ARG A 709
PRO A 705
 None
 1.18A 3vxiA-4fgvA:
0.0		 3vxiA-4fgvA:
19.08
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.
4ldu AUXIN RESPONSE
FACTOR 5

(Arabidopsis
thaliana) 		PF02362
(B3)
PF06507
(Auxin_resp) 		4 ALA A 180
ARG A 178
PRO A 176
HIS A 221
 None
 1.18A 3vxiA-4lduA:
0.0		 3vxiA-4lduA:
21.99
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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		4 ALA A 167
ASN A  25
ARG A  52
PRO A 169
 None
 1.30A 3vxiA-4nmwA:
undetectable		 3vxiA-4nmwA:
20.62
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.
4uzy FLAGELLAR ASSOCIATED
PROTEIN
INTRAFLAGELLAR
TRANSPORT PROTEIN
IFT52

(Chlamydomonas
reinhardtii;
Chlamydomonas
reinhardtii) 		PF12895
(ANAPC3)
PF13174
(TPR_6)
no annotation 		4 ALA B 346
ASN A 314
PRO A 309
HIS A 280
 None
 1.04A 3vxiA-4uzyB:
undetectable		 3vxiA-4uzyB:
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 4 ALA A   9
ARG A   5
PRO A 389
HIS A 109
 None
 0.87A 3vxiA-5ce5A:
undetectable		 3vxiA-5ce5A:
23.17
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.
5d6o HOMOSERINE
O-ACETYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00561
(Abhydrolase_1) 		4 ALA A  39
ASN A  87
PRO A  14
HIS A  62
 GOL  A 409 ( 3.7A)
None
GOL  A 409 ( 3.9A)
GOL  A 409 ( 4.7A)
 1.39A 3vxiA-5d6oA:
undetectable		 3vxiA-5d6oA:
23.86
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		4 ALA A 478
ASN A 437
ARG A 389
HIS A 510
 None
 1.46A 3vxiA-5do7A:
undetectable		 3vxiA-5do7A:
21.01
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.
5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Cyanothece sp.
ATCC 51142) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ALA A 389
ASN A 405
ARG A 408
HIS A 388
 None
None
GLC  A 802 (-4.1A)
None
 1.42A 3vxiA-5gr1A:
undetectable		 3vxiA-5gr1A:
20.41
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.
5h9p GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 ALA A 146
ARG A 144
PRO A 161
HIS A 158
 TD2  A 301 (-3.2A)
TD2  A 301 (-3.5A)
None
TD2  A 301 (-3.8A)
 1.06A 3vxiA-5h9pA:
undetectable		 3vxiA-5h9pA:
16.24
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.
5joz NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43B

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		4 ALA A  78
ASN A  84
ARG A  81
PRO A  59
 None
 1.17A 3vxiA-5jozA:
undetectable		 3vxiA-5jozA:
22.59
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.
5xge UNCHARACTERIZED
PROTEIN PA0861

(Pseudomonas
aeruginosa) 		no annotation 4 ALA A 395
ASN A 463
ARG A 401
HIS A 406
 None
 0.88A 3vxiA-5xgeA:
1.7		 3vxiA-5xgeA:
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.
6am0 KLLA0F23980P
KLLA0A01474P

(Kluyveromyces
lactis;
Kluyveromyces
lactis) 		no annotation
no annotation 		4 ALA C 362
ARG A  39
PRO A  30
HIS A  43
 None
 0.93A 3vxiA-6am0C:
undetectable		 3vxiA-6am0C:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 4 ASN A2168
ARG A2166
PRO A2188
HIS A2176
 None
 1.47A 3vxiA-6fayA:
undetectable		 3vxiA-6fayA:
undetectable