SIMILAR PATTERNS OF AMINO ACIDS FOR 3MBH_F_PXLF400_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.
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 3mbhF-1bwdA:
undetectable		 3mbhF-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.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		5 ASP A 142
SER A 112
LEU A 143
VAL A  69
ASP A  65
 NDP  A 300 (-3.5A)
NDP  A 300 (-4.2A)
None
None
NDP  A 300 (-4.3A)
 1.34A 3mbhF-1p33A:
6.5		 3mbhF-1p33A:
20.48
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)
 0.35A 3mbhF-1td2A:
33.8		 3mbhF-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
 1.35A 3mbhF-1tqxA:
undetectable		 3mbhF-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)
 1.38A 3mbhF-1up2A:
3.2		 3mbhF-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.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 ASP A  58
SER A 248
LEU A 252
THR A 214
ASP A  63
 None
 1.25A 3mbhF-2p4gA:
undetectable		 3mbhF-2p4gA:
23.87
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.
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 3mbhF-2qhxA:
6.2		 3mbhF-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.
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
 1.25A 3mbhF-2w4gC:
undetectable		 3mbhF-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
 0.94A 3mbhF-3h74A:
33.6		 3mbhF-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
 0.81A 3mbhF-3h74A:
33.6		 3mbhF-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
VAL A 107
ASP A 213
 None
 1.04A 3mbhF-3h74A:
33.6		 3mbhF-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
 0.89A 3mbhF-3h74A:
33.6		 3mbhF-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 3mbhF-3jb9A:
undetectable		 3mbhF-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)
 0.75A 3mbhF-3pzsA:
34.2		 3mbhF-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)
 0.89A 3mbhF-3pzsA:
34.2		 3mbhF-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)
 1.41A 3mbhF-3pzsA:
34.2		 3mbhF-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
 1.14A 3mbhF-3r8eA:
undetectable		 3mbhF-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
 1.28A 3mbhF-3sgzA:
undetectable		 3mbhF-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
 1.47A 3mbhF-3va9A:
undetectable		 3mbhF-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 3mbhF-3zs7A:
33.0		 3mbhF-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 3mbhF-4bmbA:
undetectable		 3mbhF-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
 1.12A 3mbhF-4fn4A:
6.6		 3mbhF-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.
4fqz 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
GAL  A 401 (-4.0A)
GAL  A 401 ( 4.5A)
None
None
 1.44A 3mbhF-4fqzA:
undetectable		 3mbhF-4fqzA:
20.91
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.
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 3mbhF-4k6lG:
undetectable		 3mbhF-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)
 0.62A 3mbhF-4s1iB:
33.3		 3mbhF-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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 5 HIS E 151
THR E 130
GLN E 132
TYR E 194
ASP E 190
 None
 1.12A 3mbhF-4xmmE:
undetectable		 3mbhF-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
 1.42A 3mbhF-4xmmE:
undetectable		 3mbhF-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)
 0.68A 3mbhF-5b6aA:
34.7		 3mbhF-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
 1.44A 3mbhF-5e3cA:
undetectable		 3mbhF-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
 1.41A 3mbhF-5of3C:
undetectable		 3mbhF-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
 0.82A 3mbhF-5trwA:
33.5		 3mbhF-5trwA:
24.68