SIMILAR PATTERNS OF AMINO ACIDS FOR 5MQT_A_STIA302_1

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.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		5 ILE A  23
GLU A 151
SER A 119
CYH A 154
GLU A   4
 None
 1.46A 5mqtA-1pzxA:
0.0		 5mqtA-1pzxA:
21.36
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 ILE A 463
VAL A 422
MET A 489
CYH A 218
GLU A 472
 None
 1.41A 5mqtA-1uc4A:
0.6		 5mqtA-1uc4A:
20.15
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 VAL A 404
GLU A 284
PHE A 430
SER A 286
GLU A 382
 None
None
None
None
MAN  A 509 (-3.7A)
 1.42A 5mqtA-1v0zA:
0.0		 5mqtA-1v0zA:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 ILE A  30
GLU A  90
GLN A  97
SER A 144
CYH A 146
 DCZ  A 302 ( 4.3A)
None
DCZ  A 302 (-3.2A)
None
None
 1.11A 5mqtA-2a30A:
33.3		 5mqtA-2a30A:
84.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		8 ILE A  30
PRO A  89
GLN A  97
ARG A 128
PHE A 137
SER A 144
CYH A 146
GLU A 197
 DCZ  A 302 ( 4.3A)
None
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
None
None
DCZ  A 302 (-3.5A)
 0.83A 5mqtA-2a30A:
33.3		 5mqtA-2a30A:
84.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		6 MET A  85
PRO A  89
GLN A  97
ARG A 128
SER A 144
CYH A 146
 DCZ  A 302 ( 4.3A)
None
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
None
None
 0.90A 5mqtA-2a30A:
33.3		 5mqtA-2a30A:
84.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		6 TYR A  86
PRO A  89
ARG A 128
SER A 144
CYH A 146
GLU A 197
 DCZ  A 302 (-4.6A)
None
DCZ  A 302 (-4.1A)
None
None
DCZ  A 302 (-3.5A)
 1.38A 5mqtA-2a30A:
33.3		 5mqtA-2a30A:
84.43
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		6 ILE A  29
PRO A  73
GLN A  81
ARG A 105
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.96A 5mqtA-2jcsA:
23.5		 5mqtA-2jcsA:
29.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		6 ILE A  47
GLN A 111
ARG A 142
PHE A 151
SER A 160
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
DTP  A 301 (-3.5A)
 1.10A 5mqtA-2ocpA:
30.1		 5mqtA-2ocpA:
45.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		6 ILE A  47
PRO A 103
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.78A 5mqtA-2ocpA:
30.1		 5mqtA-2ocpA:
45.59
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.
2ps2 PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Aspergillus
oryzae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 341
GLU A 126
ARG A 327
PHE A 305
CYH A 125
 None
 1.20A 5mqtA-2ps2A:
0.8		 5mqtA-2ps2A:
21.89
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 ILE A  40
VAL A  57
MET A  48
GLU A 347
SER A 343
 None
 1.43A 5mqtA-3ahiA:
1.5		 5mqtA-3ahiA:
16.59
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 ILE A  40
VAL A  57
MET A  48
GLU A 347
SER A 343
 None
 1.41A 5mqtA-3ai7A:
0.7		 5mqtA-3ai7A:
17.20
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.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 VAL A 398
GLU A 277
PHE A 422
SER A 279
GLU A 375
 None
LNV  A 801 (-3.8A)
None
None
None
 1.46A 5mqtA-3tiaA:
undetectable		 5mqtA-3tiaA:
17.33
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 VAL A 303
TYR A 198
PRO A 201
GLU A 202
GLU A  33
 None
None
None
SAM  A 501 (-4.2A)
None
 1.46A 5mqtA-3vywA:
undetectable		 5mqtA-3vywA:
22.41
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.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 VAL A 398
GLU A 277
PHE A 422
SER A 279
GLU A 375
 None
SLB  A 512 (-2.7A)
None
None
None
 1.47A 5mqtA-4h53A:
undetectable		 5mqtA-4h53A:
18.70
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.
4hc3 PPCA

(Geobacter
sulfurreducens) 		no annotation 5 VAL A  24
PRO A  62
GLU A  67
CYH A  68
GLU A  57
 HEM  A  72 ( 4.1A)
HEM  A  73 ( 4.4A)
None
HEM  A  74 (-2.1A)
None
 1.40A 5mqtA-4hc3A:
undetectable		 5mqtA-4hc3A:
12.55
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.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 VAL A 219
TYR A 165
PRO A 168
GLU A 167
GLU A  23
 None
 1.22A 5mqtA-4k91A:
undetectable		 5mqtA-4k91A:
21.63
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.
4kt5 GRLA
GRLR

(Escherichia
coli) 		PF07180
(CaiF_GrlA)
PF16518
(GrlR) 		5 ILE A  61
PRO C  23
GLU C  22
PHE C  57
SER C  29
 None
 1.15A 5mqtA-4kt5A:
undetectable		 5mqtA-4kt5A:
19.31
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.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 VAL A 398
GLU A 277
PHE A 422
SER A 279
GLU A 375
 None
27S  A 501 (-3.4A)
None
None
None
 1.41A 5mqtA-4mjuA:
undetectable		 5mqtA-4mjuA:
18.00
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.
4wum CHALCONE SYNTHASE

(Freesia hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 TYR A  39
PRO A  37
GLN A 212
SER A  63
CYH A  60
 None
 1.44A 5mqtA-4wumA:
undetectable		 5mqtA-4wumA:
21.14
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 ILE B 336
VAL B 398
PHE B 382
SER B 435
CYH B 439
 None
 1.47A 5mqtA-5dlqB:
undetectable		 5mqtA-5dlqB:
14.00
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.
5kte DIVALENT METAL
CATION TRANSPORTER
MNTH

(Deinococcus
radiodurans) 		PF01566
(Nramp) 		5 ILE A  64
GLU A 134
PHE A 316
SER A 323
GLU A  65
 None
 1.31A 5mqtA-5kteA:
undetectable		 5mqtA-5kteA:
21.90
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 VAL A 226
GLU A 346
PHE A 300
SER A 421
GLU A  54
 None
 1.19A 5mqtA-5wugA:
undetectable		 5mqtA-5wugA:
16.91
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.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 5 ILE A 381
MET A 427
PRO A 478
PHE A 442
CYH A 452
 None
 1.36A 5mqtA-5y86A:
undetectable		 5mqtA-5y86A:
12.04
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 VAL A 398
GLU A 277
PHE A 422
SER A 279
GLU A 375
 None
E3M  A 511 ( 3.6A)
None
None
None
 1.45A 5mqtA-6br6A:
undetectable		 5mqtA-6br6A:
13.38
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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 5 ILE A  92
VAL A 336
TYR A 127
GLU A 110
PHE A 134
 None
 1.41A 5mqtA-6ci7A:
undetectable		 5mqtA-6ci7A:
10.60
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 DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 ILE O  31
GLN O  97
ARG O 126
PHE O 134
GLU O 191
 ADP  O 401 (-4.0A)
ADP  O 401 (-3.5A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
ADP  O 401 (-3.2A)
 0.75A 5mqtA-6g2jO:
undetectable		 5mqtA-6g2jO:
13.84
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 DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 ILE O  31
PRO O  86
ARG O 126
PHE O 134
GLU O 191
 ADP  O 401 (-4.0A)
None
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
ADP  O 401 (-3.2A)
 0.88A 5mqtA-6g2jO:
undetectable		 5mqtA-6g2jO:
13.84