SIMILAR PATTERNS OF AMINO ACIDS FOR 1GXS_C_BEZC602_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum bicolor) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		9 GLY A  62
PRO A  64
ASP A 126
SER A 158
HIS A 160
MET A 228
TRP A 270
TRP B 330
ALA B 333
 BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-2.7A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.6A)
None
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
 0.21A 1gxsC-1gxsA:
39.7
1gxsD-1gxsA:
0.8		 1gxsC-1gxsA:
100.00
1gxsD-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum bicolor) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		7 GLY A  65
PRO A  64
ASP A 126
MET A 228
TRP A 270
TRP B 330
ALA B 333
 None
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 ( 4.6A)
None
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
 1.47A 1gxsC-1gxsA:
39.7
1gxsD-1gxsA:
0.8		 1gxsC-1gxsA:
100.00
1gxsD-1gxsA:
21.37
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 217
ASP A 239
SER A 340
HIS A 341
ALA A 250
 None
 1.28A 1gxsC-1xhbA:
0.0
1gxsD-1xhbA:
0.0		 1gxsC-1xhbA:
19.96
1gxsD-1xhbA:
17.16
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.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		5 GLY A 301
PRO A 300
ASP A  16
MET A 341
ALA A  15
 None
 1.17A 1gxsC-2r9qA:
undetectable
1gxsD-2r9qA:
0.0		 1gxsC-2r9qA:
21.03
1gxsD-2r9qA:
17.32
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 PRO A 344
ASP A 411
HIS A 346
MET A 416
ALA A 412
 None
 1.25A 1gxsC-3k1dA:
0.0
1gxsD-3k1dA:
0.0		 1gxsC-3k1dA:
16.97
1gxsD-3k1dA:
13.47
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.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		5 GLY A 247
PRO A 249
ASP A 277
SER A 216
ALA A 274
 None
None
CA  A   4 ( 4.4A)
None
CA  A   4 ( 4.5A)
 1.23A 1gxsC-3s6jA:
0.0
1gxsD-3s6jA:
0.0		 1gxsC-3s6jA:
17.69
1gxsD-3s6jA:
20.85
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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 PRO A 338
ASP A 405
HIS A 340
MET A 410
ALA A 406
 None
 1.14A 1gxsC-4lq1A:
0.9
1gxsD-4lq1A:
0.7		 1gxsC-4lq1A:
18.45
1gxsD-4lq1A:
14.26
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.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 GLY A 241
ASP A  15
SER A 239
HIS A 274
MET A 135
 None
SO4  A 402 (-3.0A)
None
CA  A 401 ( 3.9A)
None
 1.29A 1gxsC-4mlgA:
0.0
1gxsD-4mlgA:
0.0		 1gxsC-4mlgA:
20.57
1gxsD-4mlgA:
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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 GLY A 100
ASP A  51
SER A  98
HIS A  76
ALA A  58
 None
 1.40A 1gxsC-4qwvA:
1.7
1gxsD-4qwvA:
0.6		 1gxsC-4qwvA:
20.98
1gxsD-4qwvA:
17.79
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 PRO A 313
ASP A  60
SER A 309
HIS A  58
TRP A  83
 None
None
17E  A 501 (-3.2A)
FE2  A 502 ( 3.5A)
None
 1.46A 1gxsC-4r85A:
undetectable
1gxsD-4r85A:
0.8		 1gxsC-4r85A:
23.06
1gxsD-4r85A:
17.48
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.
4wbh PROTEIN NOTUM
HOMOLOG

(Homo sapiens) 		PF03283
(PAE) 		5 GLY A 235
ASP A 340
SER A 231
HIS A 389
ALA A 342
 None
 1.41A 1gxsC-4wbhA:
6.3
1gxsD-4wbhA:
undetectable		 1gxsC-4wbhA:
19.21
1gxsD-4wbhA:
16.23
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		5 GLY A 102
PRO A 101
ASP A 275
SER A 103
HIS A  99
 EDO  A1316 (-3.4A)
None
TLA  A1322 (-4.3A)
None
ZN  A1321 ( 3.4A)
 1.41A 1gxsC-5ahoA:
undetectable
1gxsD-5ahoA:
undetectable		 1gxsC-5ahoA:
20.22
1gxsD-5ahoA:
18.69