SIMILAR PATTERNS OF AMINO ACIDS FOR 3MBH_E_PXLE400

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.
1bwd PROTEIN
(INOSAMINE-PHOSPHATE
AMIDINOTRANSFERASE)

(Streptomyces
griseus) 		no annotation 5 SER A 323
LEU A 320
HIS A 322
THR A  61
TYR A 104
 None
 1.47A 3mbhE-1bwdA:
undetectable		 3mbhE-1bwdA:
23.39
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.
1fuu YEAST INITIATION
FACTOR 4A

(Saccharomyces
cerevisiae) 		PF00270
(DEAD) 		5 ASP A 169
LEU A 199
THR A  74
GLN A  48
VAL A 108
 None
 1.48A 3mbhE-1fuuA:
3.6		 3mbhE-1fuuA:
23.00
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.
1gjv [3-METHYL-2-OXOBUTAN
OATE DEHYDROGENASE
[LIPOAMIDE]] KINASE

(Rattus
norvegicus) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 VAL A 136
LEU A 160
THR A 163
VAL A  95
TYR A  99
 None
 1.28A 3mbhE-1gjvA:
undetectable		 3mbhE-1gjvA:
22.14
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		5 ASP A 410
VAL A 395
SER A 414
HIS A 291
VAL A 314
 None
 1.20A 3mbhE-1itxA:
undetectable		 3mbhE-1itxA:
21.45
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		5 ASP A 295
SER A 205
LEU A 297
THR A 315
GLN A 316
 None
 1.35A 3mbhE-1oltA:
4.3		 3mbhE-1oltA:
20.35
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)
 0.33A 3mbhE-1td2A:
33.8		 3mbhE-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.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 SER A  10
HIS A  44
THR A  45
GLN A  46
VAL A 114
 PXL  A 288 (-2.4A)
PXL  A 288 (-4.9A)
PXL  A 288 (-2.7A)
PXL  A 288 (-3.9A)
None
 1.25A 3mbhE-1td2A:
33.8		 3mbhE-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.
1tqx D-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00834
(Ribul_P_3_epim) 		5 ASP A  38
SER A  11
LEU A  13
GLN A 154
VAL A  45
 ZN  A 900 (-2.6A)
None
None
None
None
 1.36A 3mbhE-1tqxA:
3.1		 3mbhE-1tqxA:
22.30
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)
 1.36A 3mbhE-1up2A:
undetectable		 3mbhE-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.
2g6t UNCHARACTERIZED
PROTEIN, HOMOLOG
HI1244 FROM
HAEMOPHILUS
INFLUENZAE

(Clostridium
acetobutylicum) 		PF08942
(DUF1919) 		5 ASP A 233
VAL A 253
SER A 252
HIS A 244
TYR A 250
 None
 1.34A 3mbhE-2g6tA:
3.4		 3mbhE-2g6tA:
21.15
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.
2gbz OLIGORIBONUCLEASE

(Xanthomonas
campestris) 		PF00929
(RNase_T) 		5 ASP A 169
SER A 165
SER A 158
HIS A 161
GLN A  68
 None
 1.38A 3mbhE-2gbzA:
undetectable		 3mbhE-2gbzA:
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.
2w1v NITRILASE HOMOLOG 2

(Mus musculus) 		PF00795
(CN_hydrolase) 		5 SER A 177
SER A 175
THR A 134
TYR A 132
ASP A 174
 None
 1.17A 3mbhE-2w1vA:
3.0		 3mbhE-2w1vA:
23.64
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.
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
 1.21A 3mbhE-2w4gC:
undetectable		 3mbhE-2w4gC:
19.38
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.
2xr4 LECTIN

(Burkholderia
cenocepacia) 		PF07472
(PA-IIL) 		5 ASP A  97
SER A  95
VAL A  68
SER A  75
THR A  20
 None
 1.25A 3mbhE-2xr4A:
undetectable		 3mbhE-2xr4A:
17.63
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 ASP A 269
SER A  58
SER A  61
THR A 272
VAL A 367
 None
SO4  A3004 (-2.7A)
None
ZN  A1001 ( 4.1A)
None
 1.38A 3mbhE-3a52A:
undetectable		 3mbhE-3a52A:
21.87
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.
3brn LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		5 ASP A 106
SER A 100
SER A  18
TYR A  27
VAL A  45
 SRO  A 158 (-3.2A)
None
SRO  A 158 (-3.6A)
SRO  A 158 (-3.5A)
None
 1.48A 3mbhE-3brnA:
undetectable		 3mbhE-3brnA:
17.06
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 199
SER A 278
HIS A 325
THR A 350
GLN A 349
 None
 1.25A 3mbhE-3ddrA:
undetectable		 3mbhE-3ddrA:
16.06
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) 		8 ASP A   9
SER A  11
SER A  17
LEU A  40
HIS A  43
THR A  44
VAL A 107
ASP A 213
 None
 0.94A 3mbhE-3h74A:
33.7		 3mbhE-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  17
LEU A  40
TYR A  80
VAL A 107
ASP A 213
 None
 0.93A 3mbhE-3h74A:
33.7		 3mbhE-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
 1.35A 3mbhE-3jb9A:
undetectable		 3mbhE-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.
3muq UNCHARACTERIZED
CONSERVED PROTEIN

(Vibrio
parahaemolyticus) 		PF12849
(PBP_like_2) 		5 ASP A 128
SER A 125
THR A 160
GLN A 159
ASP A 213
 None
 1.29A 3mbhE-3muqA:
undetectable		 3mbhE-3muqA:
23.51
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.
3pu9 PROTEIN
SERINE/THREONINE
PHOSPHATASE

(Sphaerobacter
thermophilus) 		PF07228
(SpoIIE) 		5 ASP A  96
VAL A 115
SER A 113
LEU A 158
GLN A 127
 None
 1.32A 3mbhE-3pu9A:
2.2		 3mbhE-3pu9A:
19.74
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)
 0.76A 3mbhE-3pzsA:
34.1		 3mbhE-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)
 0.87A 3mbhE-3pzsA:
34.1		 3mbhE-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)
 1.38A 3mbhE-3pzsA:
34.1		 3mbhE-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
 1.12A 3mbhE-3r8eA:
undetectable		 3mbhE-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 3mbhE-3sgzA:
undetectable		 3mbhE-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
 1.41A 3mbhE-3va9A:
undetectable		 3mbhE-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)
 0.64A 3mbhE-3zs7A:
33.3		 3mbhE-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.
4bmb GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 VAL A  62
HIS A  65
GLN A  47
VAL A  20
TYR A 141
 None
LAT  A1155 (-3.9A)
NA  A1156 (-3.3A)
None
GOL  A1157 (-3.6A)
 1.49A 3mbhE-4bmbA:
undetectable		 3mbhE-4bmbA:
18.06
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.
4h6q PROLINE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF01619
(Pro_dh) 		5 ASP A 175
VAL A 142
LEU A 165
THR A 163
ASP A 143
 None
 1.35A 3mbhE-4h6qA:
undetectable		 3mbhE-4h6qA:
22.32
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
 1.34A 3mbhE-4k6lG:
undetectable		 3mbhE-4k6lG:
22.04
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ASP A  77
VAL A 129
SER A  79
LEU A  51
ASP A 128
 None
 1.21A 3mbhE-4nbrA:
6.8		 3mbhE-4nbrA:
20.39
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)
 0.62A 3mbhE-4s1iB:
33.5		 3mbhE-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.
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
 1.44A 3mbhE-4wvwA:
undetectable		 3mbhE-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
 1.10A 3mbhE-4xmmE:
undetectable		 3mbhE-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 3mbhE-4xmmE:
undetectable		 3mbhE-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)
 0.66A 3mbhE-5b6aA:
34.6		 3mbhE-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
 1.41A 3mbhE-5e3cA:
undetectable		 3mbhE-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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2

(Homo sapiens) 		no annotation 5 SER I 321
SER I 349
LEU I 330
THR I 306
VAL I 287
 None
 1.23A 3mbhE-5furI:
undetectable		 3mbhE-5furI:
12.88
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.
5gzg GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 VAL A  62
HIS A  65
GLN A  47
VAL A  20
TYR A 141
 None
LAT  A 201 (-3.9A)
NA  A 202 (-3.3A)
None
None
 1.47A 3mbhE-5gzgA:
undetectable		 3mbhE-5gzgA:
20.75
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 3mbhE-5of3C:
undetectable		 3mbhE-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
 0.83A 3mbhE-5trwA:
33.4		 3mbhE-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.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		5 HIS A  44
THR A  45
GLN A  46
VAL A 114
ASP A 222
 None
 0.71A 3mbhE-5trwA:
33.4		 3mbhE-5trwA:
24.68