SIMILAR PATTERNS OF AMINO ACIDS FOR 2Z71_A_PNVA903_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.
1o0s NAD-DEPENDENT MALIC
ENZYME

(Ascaris suum) 		PF00390
(malic)
PF03949
(Malic_M) 		5 THR A 177
ASN A 224
ARG A 243
ASP A 178
GLY A 222
 None
 1.39A 2z71A-1o0sA:
0.0
2z71C-1o0sA:
0.0		 2z71A-1o0sA:
20.73
2z71C-1o0sA:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		5 TYR A  82
ASN A 175
PRO A 225
ARG A 228
GLU A 270
 None
 0.75A 2z71A-2oqcA:
46.4
2z71C-2oqcA:
46.6		 2z71A-2oqcA:
40.12
2z71C-2oqcA:
40.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		6 THR A  22
TYR A  82
PRO A 225
ARG A 228
ASN A 269
ASP A 274
 None
None
CL  A 336 ( 4.2A)
CL  A 336 (-3.2A)
None
None
 0.35A 2z71A-2quyA:
53.8
2z71C-2quyA:
54.5		 2z71A-2quyA:
99.40
2z71C-2quyA:
99.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rg2 CHOLOYLGLYCINE
HYDROLASE

(Clostridium
perfringens) 		PF02275
(CBAH) 		5 ASN A 175
PRO A 225
ARG A 228
GLU A 270
ASP A 274
 CSO  A   2 (-3.1A)
GOL  A 336 ( 4.6A)
CSO  A   2 ( 3.4A)
None
GOL  A 336 ( 4.4A)
 0.63A 2z71A-2rg2A:
41.9
2z71C-2rg2A:
42.3		 2z71A-2rg2A:
36.18
2z71C-2rg2A:
36.18
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ARG A 892
ASN A 808
GLU A 505
GLY A 778
GLN A 810
 None
 1.03A 2z71A-2y8nA:
0.0
2z71C-2y8nA:
0.0		 2z71A-2y8nA:
17.47
2z71C-2y8nA:
17.47
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C

(Streptococcus
mutans) 		PF08282
(Hydrolase_3) 		5 THR A 179
ASN A  46
GLU A 224
ASP A 187
GLY A  66
 None
 1.33A 2z71A-3l7yA:
0.0
2z71C-3l7yA:
0.0		 2z71A-3l7yA:
21.25
2z71C-3l7yA:
21.25
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.
4fn5 ELONGATION FACTOR G
1

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ASN A  37
GLU A 204
ASP A 280
GLY A  77
GLN A  78
 None
 1.45A 2z71A-4fn5A:
0.0
2z71C-4fn5A:
0.0		 2z71A-4fn5A:
20.82
2z71C-4fn5A:
20.82
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 THR A 216
ASN A 251
PRO A 350
ASP A 217
GLY A 253
 None
 1.50A 2z71A-4o99A:
0.0
2z71C-4o99A:
0.0		 2z71A-4o99A:
21.07
2z71C-4o99A:
21.07
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 THR A 127
ASN A  77
GLU A  87
GLY A  53
GLN A  92
 None
CL  A1595 (-3.7A)
None
None
None
 1.21A 2z71A-4um8A:
0.0
2z71C-4um8A:
0.0		 2z71A-4um8A:
20.95
2z71C-4um8A:
20.95
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.
4zal UBIX

(Pseudomonas
aeruginosa) 		PF02441
(Flavoprotein) 		5 THR A  12
PRO A  58
GLU A 121
GLY A  80
GLN A  81
 None
 1.28A 2z71A-4zalA:
undetectable
2z71C-4zalA:
undetectable		 2z71A-4zalA:
21.13
2z71C-4zalA:
21.13
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.
5c0p ENDO-ARABINASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		5 THR A 229
ASN A 305
ARG A  52
ASP A 230
GLY A 285
 None
None
TRS  A 409 (-4.3A)
TRS  A 409 (-3.3A)
None
 1.14A 2z71A-5c0pA:
undetectable
2z71C-5c0pA:
undetectable		 2z71A-5c0pA:
20.85
2z71C-5c0pA:
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.
5hei NFRA2

(Bacillus
megaterium) 		PF00881
(Nitroreductase) 		5 THR A 111
GLU A 104
ASP A 112
GLY A  43
GLN A  45
 None
 1.27A 2z71A-5heiA:
undetectable
2z71C-5heiA:
undetectable		 2z71A-5heiA:
21.89
2z71C-5heiA:
21.89
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 5 TYR A 256
ARG A 312
GLU A 428
GLY A 311
GLN A 359
 None
 1.35A 2z71A-5xwqA:
undetectable
2z71C-5xwqA:
undetectable		 2z71A-5xwqA:
14.03
2z71C-5xwqA:
14.03