SIMILAR PATTERNS OF AMINO ACIDS FOR 3NUV_B_ASDB126_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.
1e6b GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		5 SER A  17
LEU A  41
PHE A  51
VAL A  39
ASN A  55
 None
 1.48A 3nuvB-1e6bA:
0.0		 3nuvB-1e6bA:
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.
1e6b GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		5 SER A  17
PHE A  51
VAL A  39
ASN A  55
ALA A  62
 None
 1.28A 3nuvB-1e6bA:
0.0		 3nuvB-1e6bA:
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.
1hru YRDC GENE PRODUCT

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC) 		5 SER A 137
LEU A  46
PHE A 162
VAL A  22
PRO A 163
 None
 1.41A 3nuvB-1hruA:
0.0		 3nuvB-1hruA:
24.48
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.
2c3n GLUTATHIONE
S-TRANSFERASE THETA
1

(Homo sapiens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		6 SER A  11
LEU A  35
PHE A  45
VAL A  33
ASN A  49
ALA A  56
 None
 1.44A 3nuvB-2c3nA:
0.0		 3nuvB-2c3nA:
18.44
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.
2ljr GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 SER A  11
LEU A  35
PHE A  45
VAL A  33
ASN A  49
 None
 1.39A 3nuvB-2ljrA:
0.0		 3nuvB-2ljrA:
18.03
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor) 		PF02668
(TauD) 		5 LEU A 170
PHE A 307
VAL A 168
PRO A 165
ASN A 158
 None
None
None
None
AHB  A7002 (-3.5A)
 1.39A 3nuvB-2og7A:
0.0		 3nuvB-2og7A:
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.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		5 TYR G 410
LEU G  28
VAL G  12
PRO G 288
ASN G 408
 None
 1.32A 3nuvB-3cpiG:
0.0		 3nuvB-3cpiG:
13.70
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.
3cv3 GLUCURONOSYLTRANSFER
ASE GUMK

(Xanthomonas
campestris) 		no annotation 5 ASN A  32
LEU A  40
PHE A  48
VAL A  19
ALA A  31
 None
 1.46A 3nuvB-3cv3A:
undetectable		 3nuvB-3cv3A:
17.19
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.
3nqk UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 TYR A 184
ASN A 178
LEU A 250
PHE A 221
VAL A 242
 None
 1.46A 3nuvB-3nqkA:
1.6		 3nuvB-3nqkA:
17.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3owu STEROID
DELTA-ISOMERASE

(Pseudomonas
putida) 		PF12680
(SnoaL_2) 		5 TYR A  16
ASN A  40
LEU A  61
MET A 116
ALA A 118
 EQU  A 200 (-4.5A)
EQU  A 200 (-3.5A)
None
EQU  A 200 (-4.9A)
EQU  A 200 ( 4.1A)
 1.29A 3nuvB-3owuA:
21.6		 3nuvB-3owuA:
34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3owu STEROID
DELTA-ISOMERASE

(Pseudomonas
putida) 		PF12680
(SnoaL_2) 		5 TYR A  16
ASN A  40
VAL A  88
MET A 116
ALA A 118
 EQU  A 200 (-4.5A)
EQU  A 200 (-3.5A)
None
EQU  A 200 (-4.9A)
EQU  A 200 ( 4.1A)
 0.89A 3nuvB-3owuA:
21.6		 3nuvB-3owuA:
34.85
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.
3rsc CALG2

(Micromonospora
echinospora) 		PF04101
(Glyco_tran_28_C) 		5 TYR A  80
LEU A  14
VAL A   9
ASN A  84
ALA A 112
 C0T  A 398 (-3.3A)
None
None
None
None
 1.42A 3nuvB-3rscA:
undetectable		 3nuvB-3rscA:
15.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t8u STEROID
DELTA-ISOMERASE

(Comamonas
testosteroni) 		PF12680
(SnoaL_2) 		7 SER A  58
LEU A  63
PHE A  82
VAL A  84
PRO A  97
MET A 112
ALA A 114
 None
 0.62A 3nuvB-3t8uA:
24.5		 3nuvB-3t8uA:
96.80
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.
4h8a UREIDOGLYCOLATE
DEHYDROGENASE

(Escherichia
coli) 		PF02615
(Ldh_2) 		5 LEU A  33
PHE A 123
VAL A  32
MET A 114
ALA A  89
 None
 1.46A 3nuvB-4h8aA:
undetectable		 3nuvB-4h8aA:
17.78
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASN A 330
LEU A 133
PHE A 408
VAL A 130
ASN A 116
 None
 1.50A 3nuvB-4ip4A:
undetectable		 3nuvB-4ip4A:
16.08
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.
4mvt E3 SUMO-PROTEIN
LIGASE PIAS3

(Homo sapiens) 		PF02891
(zf-MIZ)
PF14324
(PINIT) 		5 LEU A 272
PHE A 162
VAL A 274
ASN A 256
ALA A 248
 None
 1.48A 3nuvB-4mvtA:
undetectable		 3nuvB-4mvtA:
14.97
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.
4o26 TELOMERASE REVERSE
TRANSCRIPTASE

(Oryzias latipes) 		PF12009
(Telomerase_RBD) 		5 TYR A 394
LEU A 436
PHE A 431
MET A 326
ALA A 526
 None
None
None
SO4  A 608 (-4.8A)
None
 1.25A 3nuvB-4o26A:
undetectable		 3nuvB-4o26A:
18.56
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.
4o26 TELOMERASE REVERSE
TRANSCRIPTASE

(Oryzias latipes) 		PF12009
(Telomerase_RBD) 		5 TYR A 394
LEU A 436
PHE A 431
VAL A 432
ALA A 526
 None
 1.18A 3nuvB-4o26A:
undetectable		 3nuvB-4o26A:
18.56
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 ASN A 352
LEU A 661
PHE A 673
ASN A 378
ALA A 351
 None
 1.45A 3nuvB-4ufcA:
undetectable		 3nuvB-4ufcA:
9.49
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.
5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE

(Streptomyces
hygroscopicus) 		no annotation 5 TYR A 111
LEU A 118
VAL A 126
PRO A 169
ALA A 171
 None
None
None
None
3HB  A1341 (-3.5A)
 1.40A 3nuvB-5a3kA:
undetectable		 3nuvB-5a3kA:
20.89
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.
5t0h 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		5 TYR f 622
SER f 276
LEU f 274
ASN f 649
MET f 629
 None
 1.45A 3nuvB-5t0hf:
undetectable		 3nuvB-5t0hf:
10.68