SIMILAR PATTERNS OF AMINO ACIDS FOR 3MBH_A_PXLA400_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.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		6 HIS A  44
THR A  45
GLN A  46
TYR A  83
VAL A 114
ASP A 224
 PXL  A 288 (-4.9A)
PXL  A 288 (-2.7A)
PXL  A 288 (-3.9A)
PXL  A 288 (-3.8A)
None
PXL  A 288 (-2.5A)
 0.40A 3mbhA-1td2A:
33.9		 3mbhA-1td2A:
27.94
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		5 ASP A 244
SER A 272
VAL A 275
THR A 160
TYR A 162
 None
None
None
None
IFM  A 383 (-4.3A)
 1.41A 3mbhA-1up2A:
2.2		 3mbhA-1up2A:
22.29
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.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 ASP A 142
SER A 112
LEU A 143
VAL A  69
ASP A  65
 NAP  A1300 (-3.7A)
NAP  A1300 (-4.1A)
None
None
NAP  A1300 (-4.6A)
 1.35A 3mbhA-2qhxA:
6.1		 3mbhA-2qhxA:
22.00
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.
2w1j PUTATIVE SORTASE

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		5 ASP A 178
LEU A 204
THR A 189
VAL A 182
TYR A 187
 None
 1.49A 3mbhA-2w1jA:
undetectable		 3mbhA-2w1jA:
23.05
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT
MYOSIN LIGHT CHAIN
3, SKELETAL MUSCLE
ISOFORM

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N)
no annotation 		5 VAL C 110
LEU C  91
THR M 790
GLN M 791
VAL C 123
 None
 1.22A 3mbhA-2w4gC:
undetectable		 3mbhA-2w4gC:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		5 ASP A   9
LEU A  40
TYR A  80
VAL A 107
ASP A 213
 None
 0.96A 3mbhA-3h74A:
33.7		 3mbhA-3h74A:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		6 ASP A   9
SER A  11
LEU A  40
HIS A  43
THR A  44
ASP A 213
 None
 0.78A 3mbhA-3h74A:
33.7		 3mbhA-3h74A:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		5 ASP A   9
TYR A  80
VAL A 107
TYR A 115
ASP A 213
 None
 0.91A 3mbhA-3h74A:
33.7		 3mbhA-3h74A:
33.90
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 VAL A1011
LEU A1071
THR A1191
VAL A 824
ASP A1012
 None
 1.37A 3mbhA-3jb9A:
undetectable		 3mbhA-3jb9A:
8.40
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		5 HIS A  43
GLN A  45
TYR A  82
VAL A 113
ASP A 223
 None
None
None
None
SO4  A 288 (-3.4A)
 0.80A 3mbhA-3pzsA:
34.3		 3mbhA-3pzsA:
25.41
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		5 HIS A  43
THR A  44
GLN A  45
TYR A  82
ASP A 223
 None
None
None
None
SO4  A 288 (-3.4A)
 0.92A 3mbhA-3pzsA:
34.3		 3mbhA-3pzsA:
25.41
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		5 SER A   9
THR A  44
GLN A  45
TYR A  82
ASP A 223
 None
None
None
None
SO4  A 288 (-3.4A)
 1.42A 3mbhA-3pzsA:
34.3		 3mbhA-3pzsA:
25.41
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.
3r8e HYPOTHETICAL SUGAR
KINASE

(Cytophaga
hutchinsonii) 		PF00480
(ROK) 		5 ASP A 215
SER A 194
LEU A 196
THR A 182
GLN A 185
 None
 1.13A 3mbhA-3r8eA:
undetectable		 3mbhA-3r8eA:
23.14
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.
3sgz HYDROXYACID OXIDASE
2

(Rattus
norvegicus) 		PF01070
(FMN_dh) 		5 ASP A 278
SER A 245
VAL A 243
THR A 155
VAL A 103
 FMN  A 401 (-2.8A)
FMN  A 401 (-3.4A)
None
FMN  A 401 (-2.8A)
None
 1.30A 3mbhA-3sgzA:
undetectable		 3mbhA-3sgzA:
22.34
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.
3va9 SENSOR HISTIDINE
KINASE

(Rhodopseudomonas
palustris) 		PF05227
(CHASE3) 		5 SER A 160
VAL A 163
LEU A 116
HIS A 112
GLN A 109
 None
 1.42A 3mbhA-3va9A:
undetectable		 3mbhA-3va9A:
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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		5 VAL A  18
HIS A  45
TYR A  84
VAL A 119
ASP A 229
 None
None
None
ATP  A1301 ( 3.9A)
ATP  A1301 ( 4.5A)
 0.67A 3mbhA-3zs7A:
33.3		 3mbhA-3zs7A:
27.07
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.
4fn4 SHORT CHAIN
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF13561
(adh_short_C2) 		5 SER A 203
VAL A  99
LEU A 205
THR A 209
ASP A  97
 None
 1.10A 3mbhA-4fn4A:
6.7		 3mbhA-4fn4A:
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.
4fyp VEGETATIVE STORAGE
PROTEIN 1

(Arabidopsis
thaliana) 		PF03767
(Acid_phosphat_B) 		5 ASP A 186
SER A 185
VAL A 268
TYR A 266
ASP A 249
 None
None
None
None
MG  A 301 ( 4.2A)
 1.46A 3mbhA-4fypA:
2.5		 3mbhA-4fypA:
22.12
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.
4k6l PUTATIVE
PERTUSSIS-LIKE TOXIN
SUBUNIT

(Salmonella
enterica) 		PF02917
(Pertussis_S1) 		5 VAL G 149
GLN G  96
VAL G  72
TYR G  23
ASP G 162
 None
 1.33A 3mbhA-4k6lG:
undetectable		 3mbhA-4k6lG:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4s1i PYRIDOXAL KINASE

(Entamoeba
histolytica) 		PF08543
(Phos_pyr_kin) 		7 VAL B  17
LEU B  41
HIS B  44
THR B  45
TYR B  83
TYR B 121
ASP B 218
 PLP  B 302 (-4.4A)
PLP  B 302 (-4.9A)
PLP  B 302 (-3.8A)
PLP  B 302 (-3.2A)
PLP  B 302 (-3.8A)
PLP  B 302 ( 4.0A)
PLP  B 302 (-3.5A)
 0.64A 3mbhA-4s1iB:
33.4		 3mbhA-4s1iB:
30.49
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 5 VAL A 467
LEU A 477
THR A 496
TYR A 524
VAL A 526
 None
 1.50A 3mbhA-4tz5A:
undetectable		 3mbhA-4tz5A:
19.64
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.
4wvw GALECTIN

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		5 VAL A  61
HIS A  64
GLN A  46
VAL A  19
TYR A 140
 None
SLT  A 201 (-3.9A)
SLT  A 201 (-3.4A)
None
None
 1.47A 3mbhA-4wvwA:
undetectable		 3mbhA-4wvwA:
21.13
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 5 HIS E 151
THR E 130
GLN E 132
TYR E 194
ASP E 190
 None
 1.13A 3mbhA-4xmmE:
undetectable		 3mbhA-4xmmE:
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 5 VAL E 192
HIS E 151
THR E 130
GLN E 132
ASP E 190
 None
 1.41A 3mbhA-4xmmE:
undetectable		 3mbhA-4xmmE:
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.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		5 HIS A  46
THR A  47
GLN A  48
VAL A 116
ASP A 225
 None
TRS  A 301 (-3.0A)
None
MG  A 302 (-4.8A)
MG  A 302 (-3.0A)
 0.75A 3mbhA-5b6aA:
34.7		 3mbhA-5b6aA:
26.37
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		5 VAL A 126
LEU A  80
HIS A  78
GLN A  70
TYR A  89
 None
 1.42A 3mbhA-5e3cA:
undetectable		 3mbhA-5e3cA:
18.95
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.
5of3 UNCHARACTERIZED
PROTEIN

(Sulfolobus
solfataricus) 		no annotation 5 VAL C  79
LEU C  64
TYR C  83
VAL C  87
TYR C  57
 None
 1.36A 3mbhA-5of3C:
undetectable		 3mbhA-5of3C:
15.38
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.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		5 HIS A  44
GLN A  46
TYR A  83
VAL A 114
ASP A 222
 None
 0.87A 3mbhA-5trwA:
33.6		 3mbhA-5trwA:
24.68
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.
5vpj THIOESTERASE

(Actinomadura
verrucosospora) 		PF13279
(4HBT_2) 		5 VAL A  75
HIS A   9
TYR A  95
VAL A 106
TYR A  27
 None
 1.40A 3mbhA-5vpjA:
undetectable		 3mbhA-5vpjA:
19.59