SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_B_MTXB164_2

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.
1de3 RIBONUCLEASE
ALPHA-SARCIN


(Aspergillus
giganteus)
no annotation 4 PHE A  71
LYS A  70
ILE A 135
THR A 125
None
1.31A 3ia4B-1de3A:
undetectable
3ia4B-1de3A:
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.
1fiz BETA-ACROSIN HEAVY
CHAIN


(Sus scrofa)
PF00089
(Trypsin)
4 PHE A  59
LYS A  61
ILE A 106
THR A  41
None
1.50A 3ia4B-1fizA:
undetectable
3ia4B-1fizA:
21.67
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)


(Homo sapiens)
PF00012
(HSP70)
4 PHE A 245
LYS A 246
ILE A 291
THR A 295
None
0.72A 3ia4B-1hjoA:
undetectable
3ia4B-1hjoA:
17.66
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.
1ku1 ARF
GUANINE-NUCLEOTIDE
EXCHANGE FACTOR 2


(Saccharomyces
cerevisiae)
PF01369
(Sec7)
4 PHE A 649
LYS A 648
ILE A 661
THR A 610
None
1.38A 3ia4B-1ku1A:
undetectable
3ia4B-1ku1A:
20.54
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.
1o1c SKELETAL MUSCLE
MYOSIN II REGULATORY
LIGHT CHAIN


(Gallus gallus)
PF13833
(EF-hand_8)
4 PHE B  31
LYS B  28
ILE B  42
THR B  82
None
1.44A 3ia4B-1o1cB:
undetectable
3ia4B-1o1cB:
21.30
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum)
PF01425
(Amidase)
4 PHE A  39
LYS A 104
ILE A  29
THR A 118
None
1.47A 3ia4B-1ocmA:
undetectable
3ia4B-1ocmA:
17.72
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.
1odf HYPOTHETICAL 33.3
KDA PROTEIN IN
ADE3-SER2 INTERGENIC
REGION


(Saccharomyces
cerevisiae)
no annotation 4 PHE A  36
LYS A  44
ILE A  51
THR A 270
None
SO4  A 501 (-3.5A)
None
None
1.44A 3ia4B-1odfA:
1.7
3ia4B-1odfA:
18.64
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.
1p9d UV EXCISION REPAIR
PROTEIN RAD23
HOMOLOG A


(Homo sapiens)
PF00240
(ubiquitin)
4 PHE U  15
LYS U   8
ILE U  32
THR U   4
None
1.39A 3ia4B-1p9dU:
undetectable
3ia4B-1p9dU:
20.99
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.
1re0 ARF
GUANINE-NUCLEOTIDE
EXCHANGE FACTOR 1


(Saccharomyces
cerevisiae)
PF01369
(Sec7)
4 PHE B 192
LYS B 191
ILE B 204
THR B 153
None
1.28A 3ia4B-1re0B:
undetectable
3ia4B-1re0B:
20.81
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.
1wlt 176AA LONG
HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE


(Sulfurisphaera
tokodaii)
PF00908
(dTDP_sugar_isom)
4 PHE A  36
LYS A  32
ILE A  15
THR A 133
None
1.45A 3ia4B-1wltA:
undetectable
3ia4B-1wltA:
24.76
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.
1x1f SIGNAL-TRANSDUCING
ADAPTOR PROTEIN 1


(Homo sapiens)
PF00169
(PH)
4 PHE A  48
LYS A  60
ILE A  26
THR A  50
None
1.35A 3ia4B-1x1fA:
undetectable
3ia4B-1x1fA:
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.
1y88 HYPOTHETICAL PROTEIN
AF1548


(Archaeoglobus
fulgidus)
PF04471
(Mrr_cat)
4 PHE A  54
LYS A   3
ILE A 118
THR A  61
None
1.37A 3ia4B-1y88A:
undetectable
3ia4B-1y88A:
18.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE


(Geobacillus
stearothermophilus)
PF00186
(DHFR_1)
4 PHE A  31
LYS A  32
ILE A  96
THR A 115
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
None
None
0.39A 3ia4B-1zdrA:
25.0
3ia4B-1zdrA:
46.99
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.
2cz2 MALEYLACETOACETATE
ISOMERASE


(Mus musculus)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 PHE A  50
LYS A  57
ILE A  36
THR A  68
None
1.43A 3ia4B-2cz2A:
undetectable
3ia4B-2cz2A:
21.24
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.
2gj2 WSV230

(White spot
syndrome virus)
PF09625
(VP9)
4 PHE A   4
LYS A   2
ILE A  73
THR A  52
None
1.25A 3ia4B-2gj2A:
undetectable
3ia4B-2gj2A:
23.20
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.
2kcm COLD SHOCK DOMAIN
FAMILY PROTEIN


(Shewanella
oneidensis)
PF00313
(CSD)
4 PHE A  49
LYS A   2
ILE A  17
THR A  52
None
1.46A 3ia4B-2kcmA:
undetectable
3ia4B-2kcmA:
18.71
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.
2o3l HYPOTHETICAL PROTEIN

(Bacillus cereus)
PF06304
(DUF1048)
4 PHE A  33
LYS A  34
ILE A  59
THR A  76
None
1.49A 3ia4B-2o3lA:
undetectable
3ia4B-2o3lA:
22.22
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.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN


(Rattus
norvegicus)
PF00012
(HSP70)
4 PHE A 245
LYS A 246
ILE A 291
THR A 295
None
0.65A 3ia4B-2v7zA:
undetectable
3ia4B-2v7zA:
14.36
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1


(Homo sapiens)
PF01026
(TatD_DNase)
4 PHE A  47
LYS A  46
ILE A  36
THR A 221
None
1.28A 3ia4B-2xioA:
undetectable
3ia4B-2xioA:
19.53
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.
2xl4 LMO0438 PROTEIN

(Listeria
monocytogenes)
no annotation 4 PHE A 137
LYS A 138
ILE A  67
THR A 189
None
1.32A 3ia4B-2xl4A:
undetectable
3ia4B-2xl4A:
19.78
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.
3aib GLUCOSYLTRANSFERASE-
SI


(Streptococcus
mutans)
PF02324
(Glyco_hydro_70)
4 PHE A 885
LYS A 884
ILE A 878
THR A 891
None
1.29A 3ia4B-3aibA:
undetectable
3ia4B-3aibA:
11.18
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.
3gb0 PEPTIDASE T

(Bacillus cereus)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 PHE A  11
LYS A 109
ILE A  96
THR A 359
None
1.45A 3ia4B-3gb0A:
undetectable
3ia4B-3gb0A:
16.84
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.
3hij DIHYDRODIPICOLINATE
SYNTHASE


(Bacillus
anthracis)
PF00701
(DHDPS)
4 PHE A   4
LYS A   1
ILE A  76
THR A   6
None
1.39A 3ia4B-3hijA:
undetectable
3ia4B-3hijA:
19.43
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.
3qfg UNCHARACTERIZED
PROTEIN


(Staphylococcus
aureus)
PF16729
(DUF5067)
4 PHE A  69
LYS A  68
ILE A  64
THR A 154
None
1.26A 3ia4B-3qfgA:
undetectable
3ia4B-3qfgA:
20.87
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.
3t8k UNCHARACTERIZED
PROTEIN


(Leptotrichia
buccalis)
no annotation 4 PHE A 116
LYS A 117
ILE A 136
THR A  74
None
1.35A 3ia4B-3t8kA:
undetectable
3ia4B-3t8kA:
20.87
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.
3tdm COMPUTATIONALLY
DESIGNED TWO-FOLD
SYMMETRIC TIM-BARREL
PROTEIN, FLR (HALF
MOLECULE)


(synthetic
construct)
PF00977
(His_biosynth)
4 PHE A  89
LYS A  85
ILE A 102
THR A 119
None
1.31A 3ia4B-3tdmA:
undetectable
3ia4B-3tdmA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE


(Coxiella
burnetii)
PF00186
(DHFR_1)
4 PHE A  32
LYS A  33
ILE A  96
THR A 115
MTX  A2001 (-4.3A)
None
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
0.22A 3ia4B-3tq9A:
26.1
3ia4B-3tq9A:
43.09
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.
3uai H/ACA
RIBONUCLEOPROTEIN
COMPLEX SUBUNIT 1


(Saccharomyces
cerevisiae)
PF04410
(Gar1)
4 PHE C 109
LYS C 108
ILE C  51
THR C  73
None
1.46A 3ia4B-3uaiC:
undetectable
3ia4B-3uaiC:
22.64
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.
3vco DIHYDROFOLATE
REDUCTASE


(Schistosoma
mansoni)
PF00186
(DHFR_1)
4 PHE A  32
LYS A  33
ILE A 111
THR A 133
None
0.82A 3ia4B-3vcoA:
18.4
3ia4B-3vcoA:
27.80
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.
4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE


(Homo sapiens)
PF02668
(TauD)
PF06155
(DUF971)
4 PHE A 330
LYS A 331
ILE A 231
THR A 124
None
1.35A 3ia4B-4bhiA:
undetectable
3ia4B-4bhiA:
19.18
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.
4gky PROTEIN ERGIC-53

(Homo sapiens)
PF03388
(Lectin_leg-like)
4 PHE A  52
LYS A  53
ILE A  80
THR A  95
None
1.42A 3ia4B-4gkyA:
undetectable
3ia4B-4gkyA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE


(Candida
albicans)
PF00186
(DHFR_1)
4 PHE A  36
LYS A  37
ILE A 112
THR A 133
14Q  A 202 (-4.0A)
None
14Q  A 202 ( 4.2A)
14Q  A 202 ( 4.6A)
0.45A 3ia4B-4h96A:
18.1
3ia4B-4h96A:
35.60
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.
4hum MULTIDRUG EFFLUX
PROTEIN


(Neisseria
gonorrhoeae)
PF01554
(MatE)
4 PHE A 244
LYS A 245
ILE A 106
THR A  96
None
1.28A 3ia4B-4humA:
undetectable
3ia4B-4humA:
15.49
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.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN


(Homo sapiens)
PF00012
(HSP70)
4 PHE A 245
LYS A 246
ILE A 291
THR A 295
None
0.90A 3ia4B-4hwiA:
undetectable
3ia4B-4hwiA:
17.37
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.
4id3 DNA REPAIR PROTEIN
REV1


(Saccharomyces
cerevisiae)
PF16589
(BRCT_2)
4 PHE A 166
LYS A 164
ILE A 232
THR A 206
None
1.49A 3ia4B-4id3A:
undetectable
3ia4B-4id3A:
20.25
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.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN


(Homo sapiens;
Rattus
norvegicus)
PF00012
(HSP70)
4 PHE A 245
LYS A 246
ILE A 291
THR A 295
None
0.76A 3ia4B-4j8fA:
undetectable
3ia4B-4j8fA:
13.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE


(Escherichia
coli)
PF00186
(DHFR_1)
4 PHE A  31
LYS A  32
ILE A  94
THR A 113
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 ( 4.3A)
MTX  A 201 ( 4.5A)
0.40A 3ia4B-4p68A:
28.0
3ia4B-4p68A:
55.83
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.
4u6u COG5

(Kluyveromyces
lactis)
PF10392
(COG5)
4 PHE B 329
LYS B 330
ILE B 266
THR B 258
None
1.23A 3ia4B-4u6uB:
undetectable
3ia4B-4u6uB:
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.
4uc7 NUCLEOPROTEIN

(Human
orthopneumovirus)
PF03246
(Pneumo_ncap)
4 PHE A 111
LYS A 110
ILE A 104
THR A 121
None
1.44A 3ia4B-4uc7A:
undetectable
3ia4B-4uc7A:
22.13
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.
4uc7 NUCLEOPROTEIN

(Human
orthopneumovirus)
PF03246
(Pneumo_ncap)
4 PHE A 111
LYS A 110
ILE A 129
THR A 121
None
1.06A 3ia4B-4uc7A:
undetectable
3ia4B-4uc7A:
22.13
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.
5fmu TRAF3-INTERACTING
PROTEIN 1


(Mus musculus)
PF10243
(MIP-T3)
4 PHE A  72
LYS A  69
ILE A  39
THR A  54
None
1.48A 3ia4B-5fmuA:
undetectable
3ia4B-5fmuA:
20.36
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.
5lj5 PROTEIN CWC16

(Saccharomyces
cerevisiae)
PF04502
(DUF572)
4 PHE D  64
LYS D  63
ILE D  58
THR D  85
None
C  V  58 ( 2.7A)
None
None
1.31A 3ia4B-5lj5D:
undetectable
3ia4B-5lj5D:
20.70
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.
5syd AZURIN, CHIMERIC
CONSTRUCT


(Pseudomonas
aeruginosa)
PF00127
(Copper-bind)
4 PHE A  70
LYS A  82
ILE A 113
THR A  44
None
1.47A 3ia4B-5sydA:
undetectable
3ia4B-5sydA:
19.76
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.
5udb CELL DIVISION CYCLE
PROTEIN CDT1


(Saccharomyces
cerevisiae)
PF16679
(CDT1_C)
4 PHE 8 119
LYS 8 120
ILE 8 143
THR 8 150
None
1.35A 3ia4B-5udb8:
undetectable
3ia4B-5udb8:
14.10
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.
5vmm IRON-REGULATED CELL
WALL-ANCHORED
PROTEIN


(Staphylococcus
aureus)
no annotation 4 PHE H 198
LYS H 125
ILE H 236
THR H 240
None
1.48A 3ia4B-5vmmH:
undetectable
3ia4B-5vmmH:
19.23
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.
5yg7 RIBOSE
1,5-BISPHOSPHATE
ISOMERASE


(Pyrococcus
horikoshii)
no annotation 4 PHE A 241
LYS A 240
ILE A 307
THR A 245
None
RI2  A 401 (-2.8A)
None
None
0.96A 3ia4B-5yg7A:
2.9
3ia4B-5yg7A:
17.95
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.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus)
no annotation 4 PHE A 190
LYS A 191
ILE A 196
THR A  99
None
1.27A 3ia4B-6cv0A:
undetectable
3ia4B-6cv0A:
14.77
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.
6cxm DIHYDROFOLATE
REDUCTASE


(Mycolicibacterium
smegmatis)
no annotation 4 PHE A  32
LYS A  33
ILE A  92
THR A 111
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
0.48A 3ia4B-6cxmA:
21.7
3ia4B-6cxmA:
29.08