SIMILAR PATTERNS OF AMINO ACIDS FOR 5KMW_A_PNNA305_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
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.
2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE

(Streptococcus
pneumoniae) 		PF01522
(Polysacc_deac_1) 		4 ASN A 309
PRO A 280
ASN A 279
ASP A 418
 None
 1.39A 5kmwA-2c1iA:
0.0		 5kmwA-2c1iA:
21.41
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.
2o6s VARIABLE LYMPHOCYTE
RECEPTOR B

(Eptatretus
burgeri) 		PF11921
(DUF3439)
PF12799
(LRR_4)
PF13855
(LRR_8) 		4 ASN A  92
PRO A 115
ASN A 116
ASP A 120
 None
 1.25A 5kmwA-2o6sA:
undetectable		 5kmwA-2o6sA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 ASN A 104
PRO A 167
ASN A 170
ASP A 240
 None
 0.40A 5kmwA-2wyxA:
48.0		 5kmwA-2wyxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		4 ASN A 104
PRO A 167
ASN A 170
ASP A 240
 MER  A 301 ( 4.1A)
None
MER  A 301 (-2.6A)
None
 0.42A 5kmwA-3bfgA:
46.8		 5kmwA-3bfgA:
77.61
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.
3cin MYO-INOSITOL-1-PHOSP
HATE
SYNTHASE-RELATED
PROTEIN

(Thermotoga
maritima) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 ASN A 361
PRO A 354
ASN A 353
ASP A 208
 None
MG  A 386 (-4.5A)
MG  A 386 ( 4.7A)
NAD  A 400 (-4.6A)
 1.41A 5kmwA-3cinA:
0.0		 5kmwA-3cinA:
23.26
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.
3fky GLUTAMINE SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASN A 338
PRO A 237
ASN A 289
ASP A 290
 None
 1.29A 5kmwA-3fkyA:
0.0		 5kmwA-3fkyA:
20.16
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		4 ASN A 595
PRO A 597
ASN A 202
ASP A 203
 None
 1.36A 5kmwA-3ummA:
0.0		 5kmwA-3ummA:
11.84
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		4 ASN A 275
PRO A 231
ASN A 199
ASP A 250
 None
 1.14A 5kmwA-4uwqA:
0.0		 5kmwA-4uwqA:
17.86
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		4 ASN A 194
PRO A 212
ASN A 214
ASP A 218
 None
 1.40A 5kmwA-4xkqA:
0.0		 5kmwA-4xkqA:
19.74
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.
5a5c LRRTM

(synthetic
construct) 		PF13855
(LRR_8) 		4 ASN A 119
PRO A 142
ASN A 143
ASP A 147
 None
 1.25A 5kmwA-5a5cA:
0.0		 5kmwA-5a5cA:
21.54
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.
5a5c LRRTM

(synthetic
construct) 		PF13855
(LRR_8) 		4 ASN A 215
PRO A 238
ASN A 239
ASP A 243
 None
 1.25A 5kmwA-5a5cA:
0.0		 5kmwA-5a5cA:
21.54
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.
5bqz HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ASN A 270
PRO A  83
ASN A  84
ASP A  54
 None
 1.45A 5kmwA-5bqzA:
undetectable		 5kmwA-5bqzA:
23.03