SIMILAR PATTERNS OF AMINO ACIDS FOR 4L8W_G_MTXG301

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l9x GAMMA-GLUTAMYL
HYDROLASE

(Homo sapiens) 		PF07722
(Peptidase_C26) 		6 GLY A  73
CYH A 110
LEU A 111
GLU A 114
HIS A 171
TRP A 173
 None
 0.55A 4l8wG-1l9xA:
47.5		 4l8wG-1l9xA:
53.65
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.
1o5z FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Thermotoga
maritima) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 PHE A 296
GLY A 413
GLY A 294
LEU A  77
GLU A  82
 None
 1.32A 4l8wG-1o5zA:
2.9		 4l8wG-1o5zA:
22.65
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 PHE B 255
GLY B 740
GLY B 742
CYH B 666
GLU B 664
 MCN  B4921 ( 3.8A)
MCN  B4921 (-3.5A)
MCN  B4921 (-3.4A)
MCN  B4921 (-3.6A)
None
 1.30A 4l8wG-1t3qB:
undetectable		 4l8wG-1t3qB:
16.62
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.
1ukr ENDO-1,4-B-XYLANASE
I

(Aspergillus
niger) 		PF00457
(Glyco_hydro_11) 		5 PHE A  38
GLY A  43
GLY A  41
LEU A  42
GLU A  21
 None
 1.47A 4l8wG-1ukrA:
undetectable		 4l8wG-1ukrA:
20.36
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.
1xc3 PUTATIVE
FRUCTOKINASE

(Bacillus
subtilis) 		PF00480
(ROK) 		5 GLY A  21
GLY A 279
LEU A 281
HIS A 285
GLN A 286
 None
 1.22A 4l8wG-1xc3A:
undetectable		 4l8wG-1xc3A:
18.05
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		5 PHE A 151
GLY A  46
GLY A 169
CYH A  42
LEU A  45
 None
 1.40A 4l8wG-2fnuA:
2.7		 4l8wG-2fnuA:
22.94
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 631
GLY A 713
GLY A 698
GLU A 677
GLN A 720
 MGD  A1766 ( 3.5A)
None
None
None
MGD  A1765 (-3.5A)
 1.42A 4l8wG-2vpwA:
undetectable		 4l8wG-2vpwA:
16.80
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.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		5 PHE A   4
GLY A  63
GLY A  30
LEU A  64
HIS A  56
 None
 1.42A 4l8wG-2zdsA:
0.5		 4l8wG-2zdsA:
20.98
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.
3ist GLUTAMATE RACEMASE

(Listeria
monocytogenes) 		PF01177
(Asp_Glu_race) 		5 PHE A 196
GLY A 182
CYH A 183
LEU A 181
HIS A 185
 None
None
SIN  A 267 (-3.1A)
None
SIN  A 267 ( 4.7A)
 1.48A 4l8wG-3istA:
2.3		 4l8wG-3istA:
21.65
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 PHE A1374
GLY A1317
GLY A1384
LEU A1311
GLU A1315
 None
 1.31A 4l8wG-3mmpA:
4.2		 4l8wG-3mmpA:
19.34
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.
4ew6 D-GALACTOSE-1-DEHYDR
OGENASE PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		5 GLY A  10
GLY A  12
CYH A  66
GLU A  89
GLN A  18
 None
 1.36A 4l8wG-4ew6A:
3.4		 4l8wG-4ew6A:
20.88
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		5 PHE A 659
GLY A 602
GLY A 669
LEU A 596
GLU A 600
 None
 1.18A 4l8wG-4fwtA:
4.3		 4l8wG-4fwtA:
12.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 5 GLY E  72
LEU E 109
GLU E 112
GLN E 170
TRP E 171
 None
 1.18A 4l8wG-4l95E:
51.6		 4l8wG-4l95E:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 9 PHE E  20
GLY E  71
GLY E  73
CYH E 108
LEU E 109
GLU E 112
HIS E 169
GLN E 170
TRP E 171
 None
 0.48A 4l8wG-4l95E:
51.6		 4l8wG-4l95E:
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.
4v2p KETOSYNTHASE

(Myxococcus
fulvus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 323
GLY A 321
CYH A 121
LEU A 122
GLN A 265
 MPD  A1339 ( 4.4A)
None
MPD  A1339 (-4.2A)
None
None
 1.29A 4l8wG-4v2pA:
undetectable		 4l8wG-4v2pA:
22.70
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.
4yuf CORB

(Corallococcus
coralloides) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 323
GLY A 321
CYH A 121
LEU A 122
GLN A 265
 None
 1.13A 4l8wG-4yufA:
undetectable		 4l8wG-4yufA:
20.80
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 PHE A 541
GLY A 368
LEU A 369
HIS A 373
GLN A 676
 None
 1.43A 4l8wG-5a22A:
2.3		 4l8wG-5a22A:
8.96
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.
5mlk ACETYL-COA
CARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 PHE A 296
GLY A 289
LEU A 213
HIS A 450
GLN A 242
 None
 1.41A 4l8wG-5mlkA:
2.3		 4l8wG-5mlkA:
18.92
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.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 5 PHE A 156
GLY A 462
GLY A 412
CYH A 577
LEU A 463
 None
 1.39A 4l8wG-6cgmA:
undetectable		 4l8wG-6cgmA:
11.40
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.
6ehe OMPT PROTEIN

(Vibrio cholerae) 		no annotation 5 PHE A 302
GLY A 290
GLY A 288
LEU A 268
GLU A 252
 None
 1.32A 4l8wG-6eheA:
undetectable		 4l8wG-6eheA:
15.38