SIMILAR PATTERNS OF AMINO ACIDS FOR 4NJG_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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 THR A 169
ASN A 221
SER A 206
VAL A  98
ASP A  44
 None
 1.45A 4njgB-1l1jA:
undetectable		 4njgB-1l1jA:
21.51
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 THR A 118
THR A 103
GLU A 105
SER A 152
ASP A 130
 None
 1.48A 4njgB-1svvA:
0.8		 4njgB-1svvA:
22.50
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 ASP A 411
THR A 412
THR A 282
GLU A 284
GLN A 419
 None
 1.38A 4njgB-2c3oA:
1.1		 4njgB-2c3oA:
10.91
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.
2l95 CRAMMER

(Drosophila
melanogaster) 		PF08246
(Inhibitor_I29) 		5 GLU A   9
ASN A  59
SER A  36
LYS A  37
ASP A   7
 None
 1.48A 4njgB-2l95A:
undetectable		 4njgB-2l95A:
16.23
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
 1.26A 4njgB-2y6iA:
undetectable		 4njgB-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)
 1.12A 4njgB-3et5A:
0.2		 4njgB-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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		5 THR A 415
ASN A  10
SER A 462
LYS A 464
ASP A 442
 None
GOL  A 516 (-3.8A)
GOL  A 516 (-3.2A)
GOL  A 516 (-4.9A)
None
 1.22A 4njgB-3ik2A:
1.7		 4njgB-3ik2A:
18.18
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.
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 4njgB-3jblK:
1.4		 4njgB-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.
3my7 ALCOHOL
DEHYDROGENASE/ACETAL
DEHYDE DEHYDROGENASE

(Vibrio
parahaemolyticus) 		PF00171
(Aldedh) 		5 GLU A 336
THR A 114
ASN A 242
SER A 339
GLN A 250
 None
 1.31A 4njgB-3my7A:
undetectable		 4njgB-3my7A:
21.71
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 GLU A  17
ASN A 313
SER A 314
VAL A  15
ASP A 290
 None
 1.18A 4njgB-3rysA:
2.0		 4njgB-3rysA:
22.22
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 4njgB-4cmrA:
undetectable		 4njgB-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.
4csi CELLULASE

(Humicola grisea) 		PF00840
(Glyco_hydro_7) 		5 ASN A 328
SER A 320
VAL A 325
GLN A 338
ASP A 336
 None
 1.41A 4njgB-4csiA:
undetectable		 4njgB-4csiA:
18.49
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.
4iox TRIPARTITE TERMINASE
SUBUNIT UL15

(Human
alphaherpesvirus
1) 		PF02499
(DNA_pack_C) 		5 ASP A 707
THR A 666
VAL A 712
ASP A 706
GLN A 680
 None
 1.46A 4njgB-4ioxA:
1.4		 4njgB-4ioxA:
28.04
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
ASN A 118
SER A 133
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)
SF4  A 301 ( 4.2A)
SAM  A 302 (-2.8A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.42A 4njgB-4njiA:
38.8		 4njgB-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)
 1.29A 4njgB-4njiA:
38.8		 4njgB-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.
4noi DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA

(Campylobacter
jejuni) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 GLU A 211
THR A 203
THR A  51
VAL A 124
ASP A  21
 None
 1.50A 4njgB-4noiA:
undetectable		 4njgB-4noiA:
22.40
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 ASP A  42
SER A 127
LYS A 161
VAL A 163
GLN A 188
GLN A 231
 7C5  A 302 ( 3.0A)
7C5  A 302 ( 3.1A)
7C5  A 302 (-3.5A)
7C5  A 302 (-4.6A)
7C5  A 302 (-4.0A)
7C5  A 302 (-3.2A)
 0.66A 4njgB-5th5A:
19.5		 4njgB-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
SER A 127
LYS A 161
VAL A 163
GLN A 188
GLN A 231
 7C5  A 302 (-3.2A)
7C5  A 302 ( 3.1A)
7C5  A 302 (-3.5A)
7C5  A 302 (-4.6A)
7C5  A 302 (-4.0A)
7C5  A 302 (-3.2A)
 0.53A 4njgB-5th5A:
19.5		 4njgB-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) 		5 GLU A  18
THR A  79
LYS A 161
GLN A 188
GLN A 231
 7C5  A 302 (-3.2A)
None
7C5  A 302 (-3.5A)
7C5  A 302 (-4.0A)
7C5  A 302 (-3.2A)
 1.24A 4njgB-5th5A:
19.5		 4njgB-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.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 5 ASN A 328
SER A 320
VAL A 325
GLN A 338
ASP A 336
 None
 1.43A 4njgB-5w11A:
undetectable		 4njgB-5w11A:
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 194
THR A 190
SER A 156
VAL A 141
ASP A 122
 None
 1.48A 4njgB-5xh9A:
undetectable		 4njgB-5xh9A:
16.86
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 5 THR A  91
THR A 222
GLU A 225
ASN A 226
GLN A 167
 None
 1.43A 4njgB-5y2pA:
undetectable		 4njgB-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.
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 4njgB-6g2jp:
undetectable		 4njgB-6g2jp:
undetectable