SIMILAR PATTERNS OF AMINO ACIDS FOR 2OAX_B_SNLB2001_2

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.
1bx0 PROTEIN
(FERREDOXIN:NADP+
OXIDOREDUCTASE)

(Spinacia
oleracea) 		PF00175
(NAD_binding_1) 		4 LEU A 197
LEU A 200
MET A 261
MET A 251
 None
 1.31A 2oaxB-1bx0A:
0.0		 2oaxB-1bx0A:
21.17
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.
1v77 HYPOTHETICAL PROTEIN
PH1877

(Pyrococcus
horikoshii) 		PF01876
(RNase_P_p30) 		4 LEU A 134
LEU A 181
MET A 149
MET A 190
 None
 1.30A 2oaxB-1v77A:
0.0		 2oaxB-1v77A:
22.83
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.
1wop AMINOMETHYLTRANSFERA
SE

(Thermotoga
maritima) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 LEU A 108
LEU A  97
MET A 197
MET A  51
 FFO  A2888 (-4.2A)
None
FFO  A2888 (-3.5A)
FFO  A2887 (-4.6A)
 1.05A 2oaxB-1wopA:
0.0		 2oaxB-1wopA:
22.93
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.
2r9v ATP SYNTHASE SUBUNIT
ALPHA

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 LEU A 349
LEU A 362
MET A 418
MET A 157
 None
 1.41A 2oaxB-2r9vA:
0.0		 2oaxB-2r9vA:
18.34
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 LEU B 344
LEU B 517
MET B 400
MET B 386
 None
 1.45A 2oaxB-2z2mB:
0.0		 2oaxB-2z2mB:
23.98
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 LEU A 381
LEU A 387
MET A 324
MET A 308
 None
 1.43A 2oaxB-2z5xA:
0.0		 2oaxB-2z5xA:
21.12
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 LEU A 215
LEU A 435
MET A 516
MET A 509
 None
 1.48A 2oaxB-3w3aA:
0.2		 2oaxB-3w3aA:
19.20
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.
5i01 PHOSPHOHEPTOSE
ISOMERASE

(Neisseria
gonorrhoeae) 		PF13580
(SIS_2) 		4 LEU A  41
LEU A  36
MET A  66
MET A 185
 None
 1.26A 2oaxB-5i01A:
0.0		 2oaxB-5i01A:
21.35
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.
5i6c URIC ACID-XANTHINE
PERMEASE

(Aspergillus
nidulans) 		PF00860
(Xan_ur_permease) 		4 LEU A 431
LEU A 125
MET A  90
MET A 403
 None
 1.35A 2oaxB-5i6cA:
0.6		 2oaxB-5i6cA:
16.90
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF06444
(NADH_dehy_S2_C) 		4 LEU N 296
LEU N 249
MET N 179
MET N 211
 None
 1.13A 2oaxB-5lc5N:
undetectable		 2oaxB-5lc5N:
22.19
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 LEU B 288
LEU B 295
MET B 253
MET B 176
 None
 1.39A 2oaxB-5mkkB:
undetectable		 2oaxB-5mkkB:
19.41
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 LEU A 632
LEU A 562
MET A 705
MET A 577
 None
 1.27A 2oaxB-5ot1A:
undetectable		 2oaxB-5ot1A:
14.40
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 406
LEU A 222
MET A 374
MET A 229
 None
 1.43A 2oaxB-5u2aA:
undetectable		 2oaxB-5u2aA:
18.93