SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDI_A_SAMA601_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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		5 SER A 324
GLY A 185
GLU A 341
SER A 213
HIS A  64
 None
 1.47A 3ndiA-1xr4A:
1.6		 3ndiA-1xr4A:
23.40
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 GLY A 346
ASN A 368
PRO A  90
SER A  89
HIS A 372
 None
None
SO4  A1611 (-3.6A)
None
None
 1.45A 3ndiA-2uvfA:
0.4		 3ndiA-2uvfA:
22.19
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  41
GLU A  62
PRO A  63
SER A  64
HIS A 105
 EDO  A 261 (-3.2A)
EDO  A 261 (-3.0A)
EDO  A 261 ( 4.9A)
None
EDO  A 261 ( 4.6A)
 0.94A 3ndiA-3egeA:
11.6		 3ndiA-3egeA:
23.02
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 230
GLU A 231
PRO A 243
SER A 241
TYR A 226
 None
 1.27A 3ndiA-3fcjA:
0.0		 3ndiA-3fcjA:
23.61
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.
3fy4 6-4 PHOTOLYASE

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A  14
GLU A 110
SER A 140
HIS A  18
TYR A 182
 None
 1.16A 3ndiA-3fy4A:
2.6		 3ndiA-3fy4A:
22.65
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  53
GLU A  74
PRO A  75
SER A  76
HIS A 118
 None
 0.97A 3ndiA-3hnrA:
13.6		 3ndiA-3hnrA:
21.14
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		5 GLY A 266
GLU A 389
PRO A 388
ASN A 271
HIS A 268
 None
HEC  A 475 ( 4.5A)
None
HEC  A 475 (-3.7A)
HEC  A 474 ( 2.9A)
 1.31A 3ndiA-3ubrA:
0.0		 3ndiA-3ubrA:
22.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		6 SER A  80
GLY A 113
ASN A 115
GLU A 134
ASN A 177
HIS A 181
 SAH  A 503 (-2.7A)
SAH  A 503 (-3.4A)
SAH  A 503 (-4.3A)
SAH  A 503 (-2.7A)
SAH  A 503 ( 3.9A)
SAH  A 503 (-4.4A)
 0.79A 3ndiA-4e2zA:
70.4		 3ndiA-4e2zA:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		8 SER A  80
GLY A 113
ASN A 115
GLU A 134
PRO A 135
SER A 136
ASN A 177
TYR A 184
 SAH  A 503 (-2.7A)
SAH  A 503 (-3.4A)
SAH  A 503 (-4.3A)
SAH  A 503 (-2.7A)
SAH  A 503 (-3.8A)
SAH  A 503 (-2.7A)
SAH  A 503 ( 3.9A)
None
 0.13A 3ndiA-4e2zA:
70.4		 3ndiA-4e2zA:
99.76
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 SER A 857
GLY A 906
PRO A 945
SER A 886
HIS A 922
 None
 1.30A 3ndiA-5hy7A:
undetectable		 3ndiA-5hy7A:
17.11
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli;
Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1)
PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 SER F 121
GLY D 242
ASN F 125
GLU D 303
ASN F 119
 None
 1.19A 3ndiA-5mg3F:
undetectable		 3ndiA-5mg3F:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		9 SER A  80
GLY A 113
ASN A 115
GLU A 134
PRO A 135
SER A 136
ASN A 177
HIS A 181
TYR A 184
 SAH  A 502 (-2.7A)
SAH  A 502 (-3.5A)
SAH  A 502 (-4.3A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 3.7A)
JHZ  A 503 (-3.9A)
EDO  A 506 (-3.9A)
 0.17A 3ndiA-5t67A:
66.5		 3ndiA-5t67A:
77.40