SIMILAR PATTERNS OF AMINO ACIDS FOR 4NJG_A_SAMA302

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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.84A 4njgA-1ji6A:
undetectable		 4njgA-1ji6A:
16.89
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 GLU A  72
ASP A 142
THR A 268
GLU A 270
LYS A  39
 ZN  A 400 (-2.1A)
None
None
None
None
 1.47A 4njgA-1kwmA:
0.4		 4njgA-1kwmA:
19.00
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLU A 314
GLU A 315
LYS A 294
VAL A 296
ASP A 307
 None
 1.21A 4njgA-1x55A:
undetectable		 4njgA-1x55A:
19.95
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 ASP A 239
THR A 235
ASN A 228
VAL A 265
GLN A 268
 None
 1.23A 4njgA-2y6iA:
0.0		 4njgA-2y6iA:
15.43
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		5 GLU A  50
GLU A 530
ASN A 534
VAL A  53
ASP A 518
 None
 1.31A 4njgA-3epmA:
2.4		 4njgA-3epmA:
17.75
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.
3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE

(Haemophilus
influenzae) 		PF03767
(Acid_phosphat_B) 		5 ASP A  64
THR A 124
THR A 135
VAL A 103
ASP A 181
 MG  A 255 ( 2.5A)
WO4  A 256 (-3.6A)
None
None
MG  A 255 (-2.6A)
 1.11A 4njgA-3et5A:
0.2		 4njgA-3et5A:
22.73
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 5 GLU K 542
GLU K 720
VAL K 523
ASP K 544
GLN K 543
 None
 1.50A 4njgA-3jblK:
1.7		 4njgA-3jblK:
12.63
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.
3lmd GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		5 ASP A 239
GLU A 177
ASN A 192
LYS A 197
ASP A 238
 None
 1.33A 4njgA-3lmdA:
0.0		 4njgA-3lmdA:
19.68
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.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 5 GLU A 580
ASP A  16
THR A 574
ASN A 587
VAL A  38
 None
 1.44A 4njgA-4cmrA:
1.6		 4njgA-4cmrA:
16.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Burkholderia
multivorans) 		PF13394
(Fer4_14) 		12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.44A 4njgA-4njiA:
38.8		 4njgA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Burkholderia
multivorans) 		PF13394
(Fer4_14) 		5 GLU A  15
THR A  90
GLU A  93
ASN A 118
GLN A 202
 2K8  A 303 (-3.6A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.3A)
 1.30A 4njgA-4njiA:
38.8		 4njgA-4njiA:
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 GLU A 508
GLU A 504
VAL A 537
GLN A 511
ASP A 513
 None
 1.48A 4njgA-5az4A:
undetectable		 4njgA-5az4A:
16.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5th5 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Bacillus
subtilis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		5 ASP A  42
LYS A 161
VAL A 163
GLN A 188
GLN A 231
 7C5  A 302 ( 3.0A)
7C5  A 302 (-3.5A)
7C5  A 302 (-4.6A)
7C5  A 302 (-4.0A)
7C5  A 302 (-3.2A)
 0.71A 4njgA-5th5A:
19.5		 4njgA-5th5A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5th5 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Bacillus
subtilis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		6 GLU A  18
GLU A 108
LYS A 161
VAL A 163
GLN A 188
GLN A 231
 7C5  A 302 (-3.2A)
7C5  A 302 ( 3.7A)
7C5  A 302 (-3.5A)
7C5  A 302 (-4.6A)
7C5  A 302 (-4.0A)
7C5  A 302 (-3.2A)
 0.50A 4njgA-5th5A:
19.5		 4njgA-5th5A:
33.33
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 5 ASP A 364
THR A 362
GLU A  17
ASN A 151
VAL A  21
 None
None
None
C  B   9 ( 3.2A)
None
 1.46A 4njgA-5xwyA:
undetectable		 4njgA-5xwyA:
10.11
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.
5y2p -

(-) 		no annotation 6 THR A  91
THR A 222
GLU A 225
GLU A 217
ASN A 226
GLN A 167
 None
 1.49A 4njgA-5y2pA:
undetectable		 4njgA-5y2pA:
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.
6d3u ULVAN LYASE

(Nonlabens
ulvanivorans) 		no annotation 5 THR A  49
GLU A  47
LYS A 226
VAL A 196
ASP A 187
 None
 1.43A 4njgA-6d3uA:
undetectable		 4njgA-6d3uA:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
10

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 GLU p 127
GLU L  75
ASN p 103
VAL p 134
GLN p 130
 None
 1.41A 4njgA-6g2jp:
undetectable		 4njgA-6g2jp:
undetectable