SIMILAR PATTERNS OF AMINO ACIDS FOR 4NJH_A_SAMA302_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.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 GLU A 209
ASP A 263
GLU A 303
VAL A  22
ASP A 214
 None
None
PIN  A 506 (-4.7A)
None
None
 1.27A 4njhA-1ecgA:
2.2		 4njhA-1ecgA:
17.61
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.
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 4njhA-1ji6A:
undetectable		 4njhA-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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLU A 230
THR A 119
ASN A 125
LYS A 706
GLN A 736
 None
 1.46A 4njhA-1po0A:
undetectable		 4njhA-1po0A:
15.76
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.
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
 1.27A 4njhA-1x55A:
undetectable		 4njhA-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
 1.45A 4njhA-2ipcA:
0.5		 4njhA-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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 GLU B 322
THR B 280
THR B 252
GLU B 184
VAL B 419
 None
 1.49A 4njhA-2xdqB:
0.1		 4njhA-2xdqB:
19.12
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.
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
 1.46A 4njhA-2y6iA:
0.8		 4njhA-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.
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 4njhA-3lmdA:
undetectable		 4njhA-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.
3q80 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01128
(IspD) 		5 GLU A 198
ASP A 192
THR A 191
VAL A 133
ASP A 193
 None
None
CDM  A 500 (-4.4A)
None
None
 1.33A 4njhA-3q80A:
0.2		 4njhA-3q80A:
25.09
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
 1.36A 4njhA-3tv2A:
undetectable		 4njhA-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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A
ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis;
Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C)
PF12705
(PDDEXK_1) 		5 GLU B 705
THR B 701
GLU B 325
GLU B 703
LYS A 734
 None
 1.42A 4njhA-3u44B:
undetectable		 4njhA-3u44B:
10.76
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.
4a0w T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Bos taurus) 		PF00118
(Cpn60_TCP1) 		5 GLU A 482
GLU A  95
GLU A 401
LYS A 487
ASP A  84
 None
 1.48A 4njhA-4a0wA:
1.2		 4njhA-4a0wA:
19.03
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 4njhA-4cmrA:
undetectable		 4njhA-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
 1.39A 4njhA-4hgvA:
undetectable		 4njhA-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)
 0.09A 4njhA-4njiA:
39.7		 4njhA-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
 1.46A 4njhA-4p05A:
undetectable		 4njhA-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 4njhA-4to8A:
4.7		 4njhA-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
 1.49A 4njhA-5az4A:
undetectable		 4njhA-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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN
MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 THR A 395
THR B 373
GLU A 599
ASP A 522
GLN A 441
 SO4  A 701 (-4.1A)
SO4  B 601 (-4.4A)
None
None
None
 1.38A 4njhA-5mkkA:
undetectable		 4njhA-5mkkA:
15.38
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 4njhA-5th5A:
19.7		 4njhA-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 4njhA-6d3uA:
undetectable		 4njhA-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
 1.48A 4njhA-6g2jp:
undetectable		 4njhA-6g2jp:
undetectable