SIMILAR PATTERNS OF AMINO ACIDS FOR 3MBH_B_PXLB400_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.
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
1.16A 3mbhB-1itxA:
undetectable
3mbhB-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
1.39A 3mbhB-1oltA:
undetectable
3mbhB-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)
0.36A 3mbhB-1td2A:
33.9
3mbhB-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
1.28A 3mbhB-1td2A:
33.9
3mbhB-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
1.42A 3mbhB-1tqxA:
undetectable
3mbhB-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)
1.39A 3mbhB-1up2A:
2.1
3mbhB-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
1.31A 3mbhB-2g6tA:
3.1
3mbhB-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
1.41A 3mbhB-2gbzA:
undetectable
3mbhB-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.
2w1j PUTATIVE SORTASE

(Streptococcus
pneumoniae)
PF04203
(Sortase)
5 ASP A 178
LEU A 204
THR A 189
VAL A 182
TYR A 187
None
1.47A 3mbhB-2w1jA:
undetectable
3mbhB-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
1.19A 3mbhB-2w4gC:
undetectable
3mbhB-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
1.27A 3mbhB-2xr4A:
undetectable
3mbhB-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
1.35A 3mbhB-3a52A:
undetectable
3mbhB-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.
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
1.24A 3mbhB-3ddrA:
undetectable
3mbhB-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)
7 ASP A   9
SER A  11
SER A  17
LEU A  40
HIS A  43
THR A  44
ASP A 213
None
0.77A 3mbhB-3h74A:
33.4
3mbhB-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)
7 ASP A   9
SER A  11
SER A  17
LEU A  40
HIS A  43
VAL A 107
ASP A 213
None
0.98A 3mbhB-3h74A:
33.4
3mbhB-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
0.89A 3mbhB-3h74A:
33.4
3mbhB-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
0.90A 3mbhB-3h74A:
33.4
3mbhB-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
1.38A 3mbhB-3jb9A:
undetectable
3mbhB-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.
3ngo CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE


(Homo sapiens)
PF03372
(Exo_endo_phos)
5 SER A 413
SER A 417
LEU A 411
THR A 375
ASP A 434
None
1.49A 3mbhB-3ngoA:
undetectable
3mbhB-3ngoA:
21.18
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.
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
1.37A 3mbhB-3pu9A:
undetectable
3mbhB-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)
0.77A 3mbhB-3pzsA:
34.2
3mbhB-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 3mbhB-3pzsA:
34.2
3mbhB-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)
1.37A 3mbhB-3pzsA:
34.2
3mbhB-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.
3r4c HYDROLASE, HALOACID
DEHALOGENASE-LIKE
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF08282
(Hydrolase_3)
5 SER A  25
VAL A  21
SER A  22
LEU A 248
THR A  12
None
1.46A 3mbhB-3r4cA:
3.5
3mbhB-3r4cA:
22.60
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.
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 3mbhB-3r8eA:
undetectable
3mbhB-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 3mbhB-3sgzA:
undetectable
3mbhB-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 3mbhB-3va9A:
undetectable
3mbhB-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 3mbhB-3zs7A:
32.9
3mbhB-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)
1.48A 3mbhB-4bmbA:
undetectable
3mbhB-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.
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 3mbhB-4fn4A:
6.7
3mbhB-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)
1.45A 3mbhB-4fypA:
undetectable
3mbhB-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
1.31A 3mbhB-4k6lG:
undetectable
3mbhB-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.
4kl0 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Xanthomonas
oryzae)
PF01156
(IU_nuc_hydro)
5 VAL A 175
LEU A 113
THR A 115
TYR A 127
VAL A 164
None
1.49A 3mbhB-4kl0A:
5.7
3mbhB-4kl0A:
22.07
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.
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
1.23A 3mbhB-4nbrA:
6.7
3mbhB-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)
0.61A 3mbhB-4s1iB:
33.4
3mbhB-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
1.48A 3mbhB-4tz5A:
undetectable
3mbhB-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
1.44A 3mbhB-4wvwA:
undetectable
3mbhB-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
1.14A 3mbhB-4xmmE:
undetectable
3mbhB-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
1.40A 3mbhB-4xmmE:
undetectable
3mbhB-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)
0.67A 3mbhB-5b6aA:
34.5
3mbhB-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.
5brl STAR-RELATED LIPID
TRANSFER PROTEIN 4


(Mus musculus)
PF01852
(START)
5 ASP A 134
SER A 151
HIS A 167
THR A 191
GLN A 190
None
1.32A 3mbhB-5brlA:
undetectable
3mbhB-5brlA:
24.59
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.
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 3mbhB-5e3cA:
undetectable
3mbhB-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
1.22A 3mbhB-5furI:
undetectable
3mbhB-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 3mbhB-5gzgA:
undetectable
3mbhB-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
1.35A 3mbhB-5of3C:
undetectable
3mbhB-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
0.85A 3mbhB-5trwA:
33.4
3mbhB-5trwA:
24.68