SIMILAR PATTERNS OF AMINO ACIDS FOR 4AF0_B_MOAB1526_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I

(Homo sapiens) 		PF00478
(IMPDH)
PF00571
(CBS) 		6 ASP A 274
SER A 275
SER A 276
ASN A 303
ARG A 322
MET A 325
 None
None
None
CPR  A 631 ( 4.5A)
CPR  A 631 (-4.0A)
None
 0.18A 4af0B-1jcnA:
48.6		 4af0B-1jcnA:
56.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		6 ASP A 274
ASN A 303
ARG A 322
MET A 325
MET A 414
GLY A 413
 MOA  A1332 (-3.5A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.6A)
None
None
IMP  A1331 (-3.5A)
 1.37A 4af0B-1jr1A:
57.1		 4af0B-1jr1A:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		9 ASP A 274
SER A 275
SER A 276
ASN A 303
ARG A 322
MET A 325
MET A 414
GLY A 415
GLN A 441
 MOA  A1332 (-3.5A)
None
MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.6A)
None
None
IMP  A1331 ( 3.1A)
MOA  A1332 ( 3.8A)
 0.52A 4af0B-1jr1A:
57.1		 4af0B-1jr1A:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 SER A 276
ASN A 303
ARG A 322
MET A 414
GLY A 413
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.6A)
None
IMP  A1331 (-3.5A)
 1.36A 4af0B-1jr1A:
57.1		 4af0B-1jr1A:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 SER A 276
ASN A 303
MET A 325
GLY A 442
GLN A 441
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
None
IMP  A1331 (-3.0A)
MOA  A1332 ( 3.8A)
 1.10A 4af0B-1jr1A:
57.1		 4af0B-1jr1A:
56.79
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.
1kug METALLOPROTEINASE

(Protobothrops
mucrosquamatus) 		PF01421
(Reprolysin) 		5 SER A  25
SER A  26
ASN A  27
MET A  20
GLY A  19
 None
 1.42A 4af0B-1kugA:
undetectable		 4af0B-1kugA:
16.04
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		5 ASP A 261
SER A 262
SER A 263
ASN A 291
GLY A 409
 TAD  A 901 (-2.3A)
TAD  A 901 ( 2.6A)
TAD  A 901 (-2.7A)
IMP  A 801 ( 4.6A)
IMP  A 801 ( 3.2A)
 0.41A 4af0B-1lrtA:
45.3		 4af0B-1lrtA:
27.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 261
SER A 262
SER A 263
ASN A 291
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
XMP  A 602 ( 3.1A)
 0.43A 4af0B-1mewA:
46.9		 4af0B-1mewA:
33.74
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.
1r4p SHIGA-LIKE TOXIN
TYPE II A SUBUNIT

(Escherichia
coli) 		PF00161
(RIP) 		5 SER A  16
SER A  15
ASN A  18
ARG A  21
GLN A  11
 EDO  A2004 (-4.3A)
NA  A4003 (-2.5A)
None
None
None
 1.43A 4af0B-1r4pA:
undetectable		 4af0B-1r4pA:
20.57
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.
2uyy N-PAC PROTEIN

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ASP A 543
ASN A 390
MET A 437
MET A 448
GLY A 445
 None
 1.37A 4af0B-2uyyA:
undetectable		 4af0B-2uyyA:
21.23
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.
2vsg VARIANT SURFACE
GLYCOPROTEIN ILTAT
1.24

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 SER A  33
ASN A  32
MET A  29
GLY A 256
GLN A 255
 None
 1.32A 4af0B-2vsgA:
undetectable		 4af0B-2vsgA:
21.10
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		5 SER A 238
SER A 237
MET A 223
GLY A 221
GLN A 220
 None
 1.22A 4af0B-3r7tA:
undetectable		 4af0B-3r7tA:
22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 SER A 251
SER A 252
ASN A 279
MET A 390
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
None
IMP  A 701 (-3.2A)
 0.54A 4af0B-4fxsA:
51.3		 4af0B-4fxsA:
37.78
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ASP A 732
ASN A 440
ARG A 724
GLY A 436
GLN A 434
 None
 1.37A 4af0B-4iglA:
undetectable		 4af0B-4iglA:
17.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		5 ASP A 250
SER A 251
SER A 252
ASN A 279
MET A 390
 None
None
None
IMP  A 501 ( 4.4A)
None
 0.80A 4af0B-4ix2A:
45.7		 4af0B-4ix2A:
31.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xwu INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH) 		6 ASP A 277
SER A 278
SER A 279
ASN A 306
ARG A 325
MET A 328
 None
 0.14A 4af0B-4xwuA:
49.2		 4af0B-4xwuA:
53.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tc3 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH)
PF00571
(CBS) 		7 ASP A 277
SER A 278
SER A 279
ASN A 306
ARG A 325
MET A 328
GLN A 448
 None
None
None
5GP  A 600 (-3.2A)
5GP  A 600 (-3.1A)
None
None
 0.29A 4af0B-5tc3A:
56.6		 4af0B-5tc3A:
64.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tc3 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH)
PF00571
(CBS) 		7 ASP A 277
SER A 278
SER A 279
ASN A 306
ARG A 325
MET A 328
GLY A 418
 None
None
None
5GP  A 600 (-3.2A)
5GP  A 600 (-3.1A)
None
5GP  A 600 (-3.1A)
 0.44A 4af0B-5tc3A:
56.6		 4af0B-5tc3A:
64.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tc3 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 SER A 279
ASN A 306
MET A 328
GLY A 449
GLN A 448
 None
5GP  A 600 (-3.2A)
None
5GP  A 600 ( 3.8A)
None
 1.14A 4af0B-5tc3A:
56.6		 4af0B-5tc3A:
64.38
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.
5vgb ANTI-CRISPR PROTEIN
(ACRIIC1)

(Neisseria
meningitidis) 		no annotation 5 ASP B  45
ARG B  35
MET B  66
MET B  76
GLY B  75
 GOL  A 201 (-3.6A)
GOL  A 201 ( 4.4A)
None
None
None
 1.33A 4af0B-5vgbB:
undetectable		 4af0B-5vgbB:
10.77