SIMILAR PATTERNS OF AMINO ACIDS FOR 5WHY_A_SAMA504_0

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.
1lbz FRUCTOSE
1,6-BISPHOSPHATASE/I
NOSITOL
MONOPHOSPHATASE

(Archaeoglobus
fulgidus) 		PF00459
(Inositol_P) 		5 TYR A 199
THR A  42
ARG A 197
VAL A  65
VAL A  64
 None
 1.45A 5whyA-1lbzA:
0.0		 5whyA-1lbzA:
21.46
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.
1s7j PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF FAMILY

(Enterococcus
faecalis) 		PF02567
(PhzC-PhzF) 		5 PHE A 147
GLU A 139
THR A 178
VAL A 239
VAL A 244
 None
 1.41A 5whyA-1s7jA:
undetectable		 5whyA-1s7jA:
20.70
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 TYR A  30
CYH A  31
GLU A  76
THR A 102
SER A 126
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
 0.53A 5whyA-1tv8A:
3.1		 5whyA-1tv8A:
22.77
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.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		5 TYR A  22
ARG A  76
THR A  74
VAL A  72
VAL A  71
 None
DKA  A 301 (-3.7A)
None
None
None
 1.31A 5whyA-1w66A:
undetectable		 5whyA-1w66A:
19.46
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 TYR A 431
GLU A 199
THR A 334
THR A 311
VAL A 307
 None
None
None
NAG  A 800 ( 4.6A)
NAG  A 800 (-4.4A)
 1.43A 5whyA-2gfiA:
0.3		 5whyA-2gfiA:
23.08
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.
3a9i HOMOCITRATE SYNTHASE

(Thermus
thermophilus) 		PF00682
(HMGL-like) 		5 PHE A  95
THR A  97
SER A 142
VAL A 179
VAL A 182
 None
 1.44A 5whyA-3a9iA:
3.0		 5whyA-3a9iA:
19.52
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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 TYR A 116
PHE A 291
GLU A 336
THR A 121
VAL A 170
 None
 1.29A 5whyA-3s5kA:
0.0		 5whyA-3s5kA:
17.27
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.
3vzu OUTER MEMBRANE
PROTEIN

(Neisseria
meningitidis) 		PF00267
(Porin_1) 		5 TYR X 187
THR X  97
SER X 190
VAL X 222
VAL X 223
 None
 1.25A 5whyA-3vzuX:
0.0		 5whyA-3vzuX:
21.69
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C)
PF08676
(MutL_C) 		5 PHE A 720
THR A 707
THR B 688
VAL A 542
VAL A 541
 None
 0.89A 5whyA-4e4wA:
undetectable		 5whyA-4e4wA:
22.84
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C)
PF08676
(MutL_C) 		5 TYR B 695
PHE A 720
THR A 707
THR B 688
VAL A 542
 None
 1.29A 5whyA-4e4wB:
undetectable		 5whyA-4e4wB:
18.74
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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 TYR A  21
CYH A  22
GLU A  67
SER A 122
ARG A 134
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
SAM  A 504 (-4.1A)
SAM  A 504 (-2.5A)
SAM  A 504 ( 3.5A)
 0.40A 5whyA-4k37A:
30.6		 5whyA-4k37A:
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans;
Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		5 GLU A 262
SER B 164
ARG A 204
VAL B 155
VAL B 147
 None
 1.36A 5whyA-4kpuA:
2.3		 5whyA-4kpuA:
23.77
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans;
Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		5 GLU A 262
SER B 164
THR B 166
VAL B 155
VAL B 147
 None
 1.31A 5whyA-4kpuA:
2.3		 5whyA-4kpuA:
23.77
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 TYR A  20
THR A 328
SER A 364
VAL A  23
VAL A  24
 None
 1.49A 5whyA-4qjyA:
undetectable		 5whyA-4qjyA:
21.13
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		5 TYR A  43
CYH A  42
THR A  31
SER A 268
VAL A 111
 None
 1.46A 5whyA-4wcjA:
4.3		 5whyA-4wcjA:
17.94
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.
5dlj CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS2

(Escherichia
coli) 		no annotation 5 TYR F  31
ARG F  16
THR F   8
VAL F   6
VAL F   5
 None
 1.33A 5whyA-5dljF:
undetectable		 5whyA-5dljF:
10.50
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.
5exc GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 TYR I  71
THR I 175
ARG I  66
THR I  69
VAL I 214
 None
None
RC7  I  64 ( 4.3A)
None
None
 1.45A 5whyA-5excI:
undetectable		 5whyA-5excI:
16.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		11 TYR A 110
CYH A 111
PHE A 152
GLU A 155
THR A 186
SER A 210
ARG A 222
ARG A 253
THR A 255
VAL A 283
VAL A 284
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-4.1A)
SAM  A 504 (-3.7A)
SAM  A 504 (-4.2A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
SAM  A 504 (-3.2A)
SAM  A 504 (-3.4A)
SAM  A 504 (-4.0A)
SAM  A 504 (-3.6A)
 0.55A 5whyA-5wggA:
54.8		 5whyA-5wggA:
100.00