SIMILAR PATTERNS OF AMINO ACIDS FOR 6NMF_G_CHDG104

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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 ARG A  90
GLY A 105
GLY A  67
GLN A  71
GLU A  40
 NLG  A1302 (-4.3A)
None
NLG  A1302 (-3.3A)
None
None
 1.39A 6nmfG-2bufA:
0.0
6nmfN-2bufA:
0.0
6nmfO-2bufA:
0.0		 6nmfG-2bufA:
14.04
6nmfN-2bufA:
22.06
6nmfO-2bufA:
21.69
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.
2d42 NON-TOXIC CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 GLY A  93
GLY A 123
GLN A  89
THR A 228
THR A 168
 None
 1.32A 6nmfG-2d42A:
0.0
6nmfN-2d42A:
undetectable
6nmfO-2d42A:
0.0		 6nmfG-2d42A:
14.80
6nmfN-2d42A:
20.24
6nmfO-2d42A:
22.30
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 ARG A 339
GLY A 240
GLY A 146
GLU A 148
THR A 255
 None
 1.19A 6nmfG-2jbwA:
0.0
6nmfN-2jbwA:
0.0
6nmfO-2jbwA:
0.0		 6nmfG-2jbwA:
12.40
6nmfN-2jbwA:
21.76
6nmfO-2jbwA:
21.21
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 MET A1029
GLY A1030
TRP A1026
GLN A1104
THR A1069
 None
 1.11A 6nmfG-2nlkA:
0.0
6nmfN-2nlkA:
0.8
6nmfO-2nlkA:
0.0		 6nmfG-2nlkA:
8.51
6nmfN-2nlkA:
21.20
6nmfO-2nlkA:
16.56
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.
2pa5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 9

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ARG A 409
GLY A 472
TRP A 468
GLN A 559
THR A 524
 None
None
None
CL  A 590 ( 4.8A)
None
 1.46A 6nmfG-2pa5A:
0.0
6nmfN-2pa5A:
0.0
6nmfO-2pa5A:
0.0		 6nmfG-2pa5A:
12.87
6nmfN-2pa5A:
17.34
6nmfO-2pa5A:
22.80
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.
2va1 URIDYLATE KINASE

(Ureaplasma
parvum) 		PF00696
(AA_kinase) 		5 GLY A  56
MET A  72
GLY A  73
THR A 137
THR A 138
 None
None
None
None
PO4  A1236 (-3.2A)
 1.44A 6nmfG-2va1A:
0.0
6nmfN-2va1A:
0.2
6nmfO-2va1A:
0.0		 6nmfG-2va1A:
14.29
6nmfN-2va1A:
17.28
6nmfO-2va1A:
17.84
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.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 ARG A 486
GLY A 441
MET A 488
GLY A 489
THR A 300
 None
 1.25A 6nmfG-3al8A:
0.0
6nmfN-3al8A:
undetectable
6nmfO-3al8A:
0.0		 6nmfG-3al8A:
8.99
6nmfN-3al8A:
21.01
6nmfO-3al8A:
17.63
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.43A 6nmfG-3cvrA:
0.0
6nmfN-3cvrA:
0.8
6nmfO-3cvrA:
0.0		 6nmfG-3cvrA:
9.07
6nmfN-3cvrA:
22.78
6nmfO-3cvrA:
18.50
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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 ARG A 233
ARG A 288
GLY A 257
TRP A 258
THR A 277
 None
 1.32A 6nmfG-3eagA:
0.0
6nmfN-3eagA:
0.0
6nmfO-3eagA:
0.0		 6nmfG-3eagA:
13.46
6nmfN-3eagA:
23.18
6nmfO-3eagA:
21.26
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.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 GLY A  42
GLY A 418
GLU A 504
THR A 165
THR A 164
 None
 1.49A 6nmfG-3j1cA:
undetectable
6nmfN-3j1cA:
0.0
6nmfO-3j1cA:
undetectable		 6nmfG-3j1cA:
11.62
6nmfN-3j1cA:
20.33
6nmfO-3j1cA:
18.23
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		5 ARG A 245
GLY A  60
GLN A  53
GLU A  33
THR A  83
 None
 1.22A 6nmfG-3rxzA:
undetectable
6nmfN-3rxzA:
0.0
6nmfO-3rxzA:
undetectable		 6nmfG-3rxzA:
15.81
6nmfN-3rxzA:
20.83
6nmfO-3rxzA:
22.07
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.30A 6nmfG-3wy7A:
undetectable
6nmfN-3wy7A:
0.0
6nmfO-3wy7A:
undetectable		 6nmfG-3wy7A:
12.93
6nmfN-3wy7A:
21.19
6nmfO-3wy7A:
19.49
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 ARG A  44
GLY A 184
MET A 149
GLY A 148
THR A 172
 IPE  A 301 (-3.1A)
None
GST  A 302 ( 4.1A)
None
None
 1.49A 6nmfG-4llsA:
undetectable
6nmfN-4llsA:
0.7
6nmfO-4llsA:
undetectable		 6nmfG-4llsA:
14.29
6nmfN-4llsA:
20.31
6nmfO-4llsA:
22.93