SIMILAR PATTERNS OF AMINO ACIDS FOR 4NJJ_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
0.83A 4njjA-1ji6A:
undetectable
4njjA-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.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1


(Saccharomyces
cerevisiae)
PF00025
(Arf)
5 ASP A  68
THR A  45
GLU A  55
ASN A  65
ASP A  27
GDP  A 184 (-3.5A)
None
None
None
None
1.36A 4njjA-1mozA:
1.6
4njjA-1mozA:
21.54
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
1.31A 4njjA-1x55A:
undetectable
4njjA-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
1.43A 4njjA-2y6iA:
0.8
4njjA-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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1


(Homo sapiens)
PF01380
(SIS)
5 THR A 474
GLU A 553
GLU A 468
LYS A 675
ASP A 666
None
None
None
AGP  A   1 ( 4.9A)
None
1.50A 4njjA-2zj4A:
0.7
4njjA-2zj4A:
21.96
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)
1.29A 4njjA-3et5A:
0.0
4njjA-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.
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
1.27A 4njjA-3lmdA:
undetectable
4njjA-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.
3zok 3-DEHYDROQUINATE
SYNTHASE


(Actinidia
chinensis)
PF01761
(DHQ_synthase)
5 GLU A 250
ASP A 336
THR A 262
GLU A 198
LYS A 156
None
None
PO4  A1380 (-3.4A)
PO4  A1379 ( 4.8A)
GLY  A1384 (-2.8A)
1.46A 4njjA-3zokA:
0.1
4njjA-3zokA:
20.52
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.
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
1.41A 4njjA-4cmrA:
2.8
4njjA-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)
0.12A 4njjA-4njiA:
39.2
4njjA-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.
4p05 ARYLSULFATE
SULFOTRANSFERASE
ASST


(Escherichia
coli)
PF05935
(Arylsulfotrans)
PF17425
(Arylsulfotran_N)
5 ASP A 453
THR A 434
GLN A 333
ASP A 317
GLN A 459
None
1.42A 4njjA-4p05A:
undetectable
4njjA-4p05A:
18.55
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.
4to8 FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE,
CLASS II


(Staphylococcus
aureus)
PF01116
(F_bP_aldolase)
5 THR A 234
GLU A 235
ASN A 231
LYS A 275
ASP A 218
FLC  A 302 (-4.0A)
None
None
None
None
1.50A 4njjA-4to8A:
4.8
4njjA-4to8A:
21.68
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.
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
1.46A 4njjA-5az4A:
undetectable
4njjA-5az4A:
16.79
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2


(Mus musculus)
PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12)
5 THR A  55
GLU A  64
GLU A  54
VAL A  69
ASP A  96
None
1.26A 4njjA-5eawA:
undetectable
4njjA-5eawA:
12.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gqo SINGLE-STRANDED
DNA-BINDING PROTEIN


(Mycolicibacterium
smegmatis)
PF00436
(SSB)
5 THR A  16
GLU A  99
ASN A  57
VAL A 105
ASP A  74
None
1.47A 4njjA-5gqoA:
undetectable
4njjA-5gqoA:
30.21
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)
7 GLU A  18
ASP A  42
GLU A 108
LYS A 161
VAL A 163
GLN A 188
GLN A 231
7C5  A 302 (-3.2A)
7C5  A 302 ( 3.0A)
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)
0.46A 4njjA-5th5A:
19.7
4njjA-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.
6d3u ULVAN LYASE

(Nonlabens
ulvanivorans)
no annotation 5 THR A  49
GLU A  47
LYS A 226
VAL A 196
ASP A 187
None
1.38A 4njjA-6d3uA:
undetectable
4njjA-6d3uA:
undetectable