SIMILAR PATTERNS OF AMINO ACIDS FOR 3DH0_B_SAMB300_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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 LYS A 527
ASP A 353
GLU A 548
GLU A 552
 None
 1.39A 3dh0B-1c30A:
3.5		 3dh0B-1c30A:
12.63
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.
1g4u PROTEIN TYROSINE
PHOSPHATASE SPTP

(Salmonella
enterica) 		PF00102
(Y_phosphatase)
PF03545
(YopE) 		4 LYS S 362
ASP S 327
GLU S 398
GLU S 366
 None
 1.43A 3dh0B-1g4uS:
0.3		 3dh0B-1g4uS:
19.38
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 LYS A 324
TYR A  26
GLU A 251
GLU A 314
 None
 1.15A 3dh0B-1lrwA:
0.0		 3dh0B-1lrwA:
17.91
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.
2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8;
Bacillus sp.
RAPc8) 		PF02979
(NHase_alpha)
PF02211
(NHase_beta) 		4 TYR B  26
ASP B  30
GLU A  33
GLU A  48
 None
 1.32A 3dh0B-2dppB:
0.0		 3dh0B-2dppB:
22.73
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.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 LYS A  19
ASP A  86
GLU A  53
GLU A  18
 None
 1.24A 3dh0B-2eb5A:
0.0		 3dh0B-2eb5A:
20.00
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.
2rfg DIHYDRODIPICOLINATE
SYNTHASE

(Hahella
chejuensis) 		PF00701
(DHDPS) 		4 TYR A 132
ASP A 141
GLU A 145
GLU A 172
 None
 1.49A 3dh0B-2rfgA:
0.9		 3dh0B-2rfgA:
22.26
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.
2vdf OUTER MEMBRANE
PROTEIN

(Neisseria
meningitidis) 		PF07239
(OpcA) 		4 TYR A  96
ASP A 144
GLU A 208
GLU A   9
 None
 1.35A 3dh0B-2vdfA:
0.0		 3dh0B-2vdfA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dh0 SAM DEPENDENT
METHYLTRANSFERASE

(Aquifex
aeolicus) 		PF13847
(Methyltransf_31) 		5 LYS A   6
TYR A  51
ASP A  69
GLU A  97
GLU A 118
 SAM  A 220 (-2.9A)
SAM  A 220 (-3.8A)
SAM  A 220 (-3.0A)
SAM  A 220 (-3.2A)
SAM  A 220 (-3.3A)
 0.42A 3dh0B-3dh0A:
36.6		 3dh0B-3dh0A:
100.00
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.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		4 LYS A 455
TYR A 426
ASP A 327
GLU A 406
 None
 1.45A 3dh0B-3fsnA:
undetectable		 3dh0B-3fsnA:
16.89
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.
3g6i PUTATIVE OUTER
MEMBRANE PROTEIN,
PART OF CARBOHYDRATE
BINDING COMPLEX

(Bacteroides
thetaiotaomicron) 		PF12875
(DUF3826) 		4 TYR A  32
ASP A  77
GLU A 101
GLU A 177
 None
 1.48A 3dh0B-3g6iA:
undetectable		 3dh0B-3g6iA:
23.38
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 TYR A 478
ASP A 585
GLU A 518
GLU A 509
 None
 1.30A 3dh0B-4c3hA:
undetectable		 3dh0B-4c3hA:
8.72
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.
4ggp TRANS-2-ENOYL-COA
REDUCTASE

(Treponema
denticola) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		4 TYR A 230
ASP A 338
GLU A 317
GLU A 305
 None
 1.47A 3dh0B-4ggpA:
5.1		 3dh0B-4ggpA:
19.02
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.
4khb UNCHARACTERIZED
PROTEIN POB3N

(Chaetomium
thermophilum) 		no annotation 4 LYS D  61
ASP D  13
GLU D 116
GLU D  59
 None
 1.42A 3dh0B-4khbD:
undetectable		 3dh0B-4khbD:
21.85
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		4 TYR A  64
ASP A 263
GLU A 136
GLU A 252
 None
 1.50A 3dh0B-4n91A:
undetectable		 3dh0B-4n91A:
21.70
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		4 LYS A 553
TYR A 862
GLU A 590
GLU A 935
 None
 1.43A 3dh0B-5cjuA:
undetectable		 3dh0B-5cjuA:
11.82
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 TYR A  23
ASP A  67
GLU A  70
GLU A 234
 None
 1.43A 3dh0B-5enyA:
undetectable		 3dh0B-5enyA:
14.69