SIMILAR PATTERNS OF AMINO ACIDS FOR 4O1E_B_C2FB4000_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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		4 LYS A 195
ASN A 251
ASP A 110
ASP A 120
 None
 1.14A 4o1eB-1qvbA:
2.7		 4o1eB-1qvbA:
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.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		4 LYS A 286
ASN A 317
ASP A 296
ASP A 290
 None
 1.38A 4o1eB-2bdeA:
undetectable		 4o1eB-2bdeA:
20.68
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.
2e9q 11S GLOBULIN SUBUNIT
BETA

(Cucurbita
maxima) 		PF00190
(Cupin_1) 		4 LYS A 287
ASN A 310
ASP A 297
ASP A 135
 None
 1.31A 4o1eB-2e9qA:
undetectable		 4o1eB-2e9qA:
19.78
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.
2pfz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03480
(DctP) 		4 LYS A 208
ASN A 248
ASP A 201
ASP A  80
 None
 1.49A 4o1eB-2pfzA:
0.0		 4o1eB-2pfzA:
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		4 LYS A 165
ASN A 170
ASP A 381
ASP A 166
 None
 1.47A 4o1eB-2ylzA:
undetectable		 4o1eB-2ylzA:
19.82
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 4 LYS X 200
ASN X 177
ASP X  56
ASP X 292
 None
PO4  X2322 ( 4.7A)
PO4  X2322 (-2.8A)
None
 1.44A 4o1eB-2z22X:
0.0		 4o1eB-2z22X:
21.92
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.
3dba CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA'

(Gallus gallus) 		PF01590
(GAF) 		4 LYS A 170
ASN A 116
ASP A  94
ASP A 166
 None
35G  A   1 (-3.5A)
None
None
 1.46A 4o1eB-3dbaA:
undetectable		 4o1eB-3dbaA:
18.21
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		4 LYS A 126
ASN A 109
ASP A  78
ASP A 127
 None
 1.45A 4o1eB-3f5dA:
0.2		 4o1eB-3f5dA:
20.60
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.
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae) 		PF00563
(EAL)
PF04940
(BLUF) 		4 LYS A 298
ASN A 239
ASP A 303
ASP A 320
 None
MN  A 502 ( 2.6A)
MN  A 503 ( 2.8A)
None
 1.29A 4o1eB-3gg0A:
3.7		 4o1eB-3gg0A:
20.98
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.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LYS A 165
ASN A 149
ASP A 144
ASP A 198
 MG  A 374 ( 4.2A)
None
None
MG  A 374 (-2.5A)
 1.15A 4o1eB-3sjnA:
3.2		 4o1eB-3sjnA:
22.66
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.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 LYS A  57
ASN A 160
ASP A 165
ASP A  80
 None
 1.34A 4o1eB-3wa1A:
undetectable		 4o1eB-3wa1A:
21.73
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.
4bf5 ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A 407
ASN A  33
ASP A  76
ASP A  47
 None
 1.11A 4o1eB-4bf5A:
8.2		 4o1eB-4bf5A:
22.94
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.
4i0n NECROTIC ENTERITIS
TOXIN B

(Clostridium
perfringens) 		PF07968
(Leukocidin) 		4 LYS A 113
ASN A 223
ASP A 215
ASP A 280
 None
 1.06A 4o1eB-4i0nA:
undetectable		 4o1eB-4i0nA:
22.09
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		4 LYS A  62
ASN A 550
ASP A  36
ASP A  25
 None
 1.46A 4o1eB-4kvlA:
undetectable		 4o1eB-4kvlA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		4 LYS A   8
ASN A  97
ASP A 161
ASP A 229
 C2F  A3000 (-2.7A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.7A)
 0.14A 4o1eB-4o1eA:
45.8		 4o1eB-4o1eA:
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.
4pxg TYPE-2 RESTRICTION
ENZYME SAU3AI

(Staphylococcus
aureus) 		PF02976
(MutH) 		4 LYS A 386
ASN A 477
ASP A 422
ASP A 390
 None
 1.08A 4o1eB-4pxgA:
undetectable		 4o1eB-4pxgA:
23.93
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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		4 LYS A 360
ASN A 337
ASP A 305
ASP A 364
 None
None
GLC  A 501 (-2.7A)
None
 1.43A 4o1eB-4r2bA:
undetectable		 4o1eB-4r2bA:
22.17
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.
4w7v CELLULASE

(Xanthomonas
citri) 		PF00150
(Cellulase) 		4 LYS A  18
ASN A  91
ASP A  88
ASP A  26
 None
 1.16A 4o1eB-4w7vA:
5.6		 4o1eB-4w7vA:
27.78
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 LYS C 487
ASN C 459
ASP C 436
ASP C 513
 None
 1.31A 4o1eB-4z42C:
4.9		 4o1eB-4z42C:
19.20
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.
5gp7 TANKYRASE-1

(Homo sapiens) 		PF13637
(Ank_4)
PF13857
(Ank_5) 		4 LYS A 813
ASN A 876
ASP A 867
ASP A 809
 None
 1.32A 4o1eB-5gp7A:
undetectable		 4o1eB-5gp7A:
21.43
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 LYS A 173
ASN A 602
ASP A 616
ASP A 129
 None
 1.49A 4o1eB-5ng6A:
undetectable		 4o1eB-5ng6A:
12.10
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.
5nxk SERINE-RICH SECRETED
CELL WALL ANCHORED
(LPXTG-MOTIF )
PROTEIN

(Lactobacillus
reuteri) 		no annotation 4 LYS A 332
ASN A 299
ASP A 277
ASP A 334
 None
 1.32A 4o1eB-5nxkA:
undetectable		 4o1eB-5nxkA:
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.
6fkh ATP SYNTHASE DELTA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 LYS d 101
ASN d 163
ASP d 167
ASP d  98
 None
 1.48A 4o1eB-6fkhd:
undetectable		 4o1eB-6fkhd:
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.
6fks -

(-) 		no annotation 4 LYS A  24
ASN A  62
ASP A  78
ASP A 122
 None
 1.48A 4o1eB-6fksA:
undetectable		 4o1eB-6fksA:
undetectable