SIMILAR PATTERNS OF AMINO ACIDS FOR 4NJI_B_SAMB302_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.
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 4njiB-1ji6A:
undetectable		 4njiB-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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 GLU A 329
GLU A 170
GLU A 168
LYS A 255
GLN A 293
 None
PGO  A2602 ( 2.6A)
None
None
None
 1.44A 4njiB-1uc4A:
1.3		 4njiB-1uc4A:
16.97
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
 1.29A 4njiB-1x55A:
undetectable		 4njiB-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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 GLU A 742
THR A 390
GLU A  98
GLU A 391
GLN A 738
 None
 1.48A 4njiB-2ipcA:
0.0		 4njiB-2ipcA:
12.24
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 4njiB-2y6iA:
0.8		 4njiB-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.
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)
 1.31A 4njiB-3et5A:
0.1		 4njiB-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
 1.29A 4njiB-3lmdA:
0.0		 4njiB-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.
3tv2 FUMARATE HYDRATASE,
CLASS II

(Burkholderia
pseudomallei) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 THR A 240
ASN A 245
LYS A 192
VAL A 274
ASP A 272
 None
 1.35A 4njiB-3tv2A:
undetectable		 4njiB-3tv2A:
20.26
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
 1.43A 4njiB-4cmrA:
1.6		 4njiB-4cmrA:
16.18
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.
4hgv FUMARATE HYDRATASE
CLASS II

(Sinorhizobium
meliloti) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 THR A 110
ASN A 115
LYS A  62
VAL A 144
ASP A 142
 None
 1.38A 4njiB-4hgvA:
undetectable		 4njiB-4hgvA:
21.24
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)
 0.10A 4njiB-4njiA:
39.5		 4njiB-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
 1.43A 4njiB-4p05A:
undetectable		 4njiB-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
 1.49A 4njiB-4to8A:
2.3		 4njiB-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
 1.47A 4njiB-5az4A:
undetectable		 4njiB-5az4A:
16.79
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
 1.46A 4njiB-5gqoA:
undetectable		 4njiB-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)
 0.43A 4njiB-5th5A:
19.7		 4njiB-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
 1.39A 4njiB-6d3uA:
undetectable		 4njiB-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
 1.49A 4njiB-6g2jp:
undetectable		 4njiB-6g2jp:
undetectable