SIMILAR PATTERNS OF AMINO ACIDS FOR 1TW4_B_CHDB1131_0

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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		5 LEU A 139
ILE A 118
THR A 147
VAL A 164
PHE A 144
 None
 1.40A 1tw4B-1b2hA:
0.0		 1tw4B-1b2hA:
12.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p6p FATTY ACID-BINDING
PROTEIN, LIVER

(Rhinella
arenarum) 		PF14651
(Lipocalin_7) 		5 ASN A  60
ILE A  70
VAL A  82
HIS A  98
GLN A 100
 None
 1.03A 1tw4B-1p6pA:
19.3		 1tw4B-1p6pA:
66.40
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.
1q3b ENDONUCLEASE VIII

(Escherichia
coli) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		5 LEU A  89
ILE A  17
THR A  99
VAL A  47
THR A  56
 None
 1.34A 1tw4B-1q3bA:
0.0		 1tw4B-1q3bA:
18.63
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.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ILE A 243
THR A 245
VAL A 230
THR A 226
GLN A  75
 None
 1.43A 1tw4B-1vrdA:
0.0		 1tw4B-1vrdA:
14.23
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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		5 LEU A 495
ILE A 421
THR A 410
VAL A 486
PHE A 490
 None
 1.37A 1tw4B-1yi7A:
1.3		 1tw4B-1yi7A:
14.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ftb FATTY ACID-BINDING
PROTEIN 2, LIVER

(Ambystoma
mexicanum) 		PF14651
(Lipocalin_7) 		6 ASN A  60
ILE A  70
VAL A  82
PHE A  96
HIS A  98
GLN A 100
 None
None
None
OLA  A 130 ( 4.2A)
OLA  A 130 ( 4.8A)
None
 0.84A 1tw4B-2ftbA:
22.3		 1tw4B-2ftbA:
73.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ftb FATTY ACID-BINDING
PROTEIN 2, LIVER

(Ambystoma
mexicanum) 		PF14651
(Lipocalin_7) 		5 THR A  71
VAL A  82
PHE A  96
HIS A  98
GLN A 100
 None
None
OLA  A 130 ( 4.2A)
OLA  A 130 ( 4.8A)
None
 0.98A 1tw4B-2ftbA:
22.3		 1tw4B-2ftbA:
73.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN

(Danio rerio) 		PF14651
(Lipocalin_7) 		5 ASN A  60
THR A  72
VAL A  82
HIS A  98
GLN A 100
 IPA  A 141 ( 4.7A)
GOL  A 145 (-3.2A)
None
IPA  A 140 (-3.7A)
IPA  A 142 (-3.5A)
 0.83A 1tw4B-2qo4A:
21.5		 1tw4B-2qo4A:
69.60
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.
2xsw 72 KDA INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 510
ILE A 421
VAL A 465
THR A 466
PHE A 523
 None
 1.19A 1tw4B-2xswA:
0.3		 1tw4B-2xswA:
18.75
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.
2xwx GLCNAC-BINDING
PROTEIN A

(Vibrio cholerae) 		PF03067
(LPMO_10) 		5 LEU A 254
ILE A 268
THR A 266
VAL A 305
THR A 231
 None
 1.42A 1tw4B-2xwxA:
0.0		 1tw4B-2xwxA:
15.48
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.
2yn1 LGPCA THIOREDOXIN

(synthetic
construct) 		PF00085
(Thioredoxin) 		5 LEU A  16
ILE A  71
THR A  65
LYS A  68
THR A  88
 None
None
None
None
PGE  A1107 ( 4.9A)
 1.48A 1tw4B-2yn1A:
undetectable		 1tw4B-2yn1A:
24.03
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.
3fet ELECTRON TRANSFER
FLAVOPROTEIN SUBUNIT
ALPHA RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01012
(ETF) 		5 ILE A  72
THR A   5
VAL A  77
THR A  75
PHE A  12
 None
 1.48A 1tw4B-3fetA:
undetectable		 1tw4B-3fetA:
21.05
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.
3qpd CUTINASE 1

(Aspergillus
oryzae) 		PF01083
(Cutinase) 		5 LEU A 152
ILE A 120
VAL A 143
PHE A 168
GLN A 105
 None
 1.29A 1tw4B-3qpdA:
undetectable		 1tw4B-3qpdA:
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.
4bkx METASTASIS-ASSOCIATE
D PROTEIN MTA1
HISTONE DEACETYLASE
1

(Homo sapiens;
Homo sapiens) 		PF00249
(Myb_DNA-binding)
PF01448
(ELM2)
PF00850
(Hist_deacetyl) 		5 ASN B 225
THR B 208
LYS A 165
HIS B 140
GLN B 260
 None
None
None
ACT  B 601 (-3.7A)
None
 1.40A 1tw4B-4bkxB:
undetectable		 1tw4B-4bkxB:
14.25
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 LEU A 522
ASN A 732
ILE A 450
THR A 730
VAL A 453
 None
 1.40A 1tw4B-4qi4A:
0.9		 1tw4B-4qi4A:
11.66
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 LEU A 521
ASN A 731
ILE A 450
THR A 729
VAL A 453
 None
 1.34A 1tw4B-4qi7A:
1.2		 1tw4B-4qi7A:
11.26
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		5 LEU A 193
ASN A 100
THR A 116
PHE A 166
GLN A 111
 None
 1.38A 1tw4B-4r3uA:
undetectable		 1tw4B-4r3uA:
12.43
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.
4u1f EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF08662
(eIF2A) 		5 LEU A 501
ILE A 465
THR A 464
THR A 508
GLN A 538
 None
 1.26A 1tw4B-4u1fA:
undetectable		 1tw4B-4u1fA:
15.70
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.
4u7l LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		5 LEU A 344
ASN A 325
ILE A 303
THR A 330
PHE A 338
 None
 1.47A 1tw4B-4u7lA:
undetectable		 1tw4B-4u7lA:
15.76
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.
4uer EIF3B

(Lachancea
kluyveri) 		PF00318
(Ribosomal_S2) 		5 LEU b 567
ILE b 531
THR b 530
THR b 574
GLN b 604
 None
 1.25A 1tw4B-4uerb:
0.9		 1tw4B-4uerb:
12.79
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.
4uqg DNA POLYMERASE

(Geobacillus
stearothermophilus) 		PF00476
(DNA_pol_A) 		5 LEU A 725
ILE A 712
THR A 685
HIS A 682
GLN A 656
 None
None
None
SO4  A 880 (-4.6A)
None
 1.45A 1tw4B-4uqgA:
undetectable		 1tw4B-4uqgA:
12.48
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.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
aeruginosa) 		PF00275
(EPSP_synthase) 		5 LEU A 254
ILE A 381
THR A 240
VAL A 385
THR A 248
 None
 1.34A 1tw4B-5bq2A:
undetectable		 1tw4B-5bq2A:
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 579
ASN A 489
ILE A 479
THR A 478
GLN A 569
 None
 1.35A 1tw4B-5oljA:
1.8		 1tw4B-5oljA:
10.95
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.
5ori ALBUMIN

(Capra hircus) 		no annotation 5 LEU A 574
ASN A 404
VAL A 423
THR A 526
PHE A 506
 None
 1.47A 1tw4B-5oriA:
undetectable		 1tw4B-5oriA:
12.73
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 ASN A 175
ILE A 136
THR A 137
LYS A 139
THR A 133
 None
 0.97A 1tw4B-5yvsA:
undetectable		 1tw4B-5yvsA:
undetectable