SIMILAR PATTERNS OF AMINO ACIDS FOR 4WMZ_A_TPFA602_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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 PHE A 238
ILE A 316
PHE A 417
GLY A 387
LEU A   3
 None
 1.41A 4wmzA-1rf5A:
undetectable		 4wmzA-1rf5A:
22.10
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 PHE A 132
GLY A 248
THR A 328
LEU A 337
MET A 245
 None
 1.43A 4wmzA-1vbgA:
0.0		 4wmzA-1vbgA:
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.
2azk GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Sulfolobus
solfataricus) 		PF00348
(polyprenyl_synt) 		5 TYR A 196
ILE A 194
GLY A 189
THR A 169
LEU A  48
 None
 1.49A 4wmzA-2azkA:
1.4		 4wmzA-2azkA:
22.01
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.
2i2r KV
CHANNEL-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 PHE E  74
ILE E  77
TYR E  78
PHE E  98
LEU E 115
 None
 1.44A 4wmzA-2i2rE:
0.0		 4wmzA-2i2rE:
15.62
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.
2m83 PROTEIN PHOSPHATASE
1 REGULATORY SUBUNIT
3A

(Oryctolagus
cuniculus) 		PF03370
(CBM_21) 		5 ILE A 174
TYR A 172
GLY A 146
THR A 135
LEU A 231
 None
 1.21A 4wmzA-2m83A:
undetectable		 4wmzA-2m83A:
13.56
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.
3dc6 SUPEROXIDE DISMUTASE
[MN] 1

(Caenorhabditis
elegans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 TYR A 164
ILE A 179
TYR A 175
GLY A 123
THR A 138
 None
 1.45A 4wmzA-3dc6A:
0.5		 4wmzA-3dc6A:
15.38
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.
3h14 AMINOTRANSFERASE,
CLASSES I AND II

(Ruegeria
pomeroyi) 		PF00155
(Aminotran_1_2) 		5 TYR A 125
PHE A 108
TYR A 128
GLY A 103
THR A  97
 None
 1.43A 4wmzA-3h14A:
undetectable		 4wmzA-3h14A:
22.82
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.
3hbd CLASS IV CHITINASE
CHIA4-PA2

(Picea abies) 		PF00182
(Glyco_hydro_19) 		5 PHE A  80
ILE A  81
TYR A  77
PHE A 107
LEU A 241
 None
 1.47A 4wmzA-3hbdA:
undetectable		 4wmzA-3hbdA:
16.34
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.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 TYR A 102
TYR A 115
THR A 294
LEU A 355
MET A 459
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
 0.85A 4wmzA-3l4dA:
39.7		 4wmzA-3l4dA:
29.00
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.
3omb EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		5 PHE A 486
ILE A 485
PHE A 220
GLY A 246
MET A 226
 None
 1.02A 4wmzA-3ombA:
0.3		 4wmzA-3ombA:
22.86
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 TYR A 180
ILE A  52
TYR A 200
GLY A  55
THR A 339
 None
 1.48A 4wmzA-3zbmA:
undetectable		 4wmzA-3zbmA:
21.44
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.
4fay MICROCOMPARTMENTS
PROTEIN

(Lactobacillus
reuteri) 		PF00936
(BMC) 		5 ILE A 237
TYR A 236
GLY A 155
THR A 199
LEU A 146
 None
 1.47A 4wmzA-4fayA:
undetectable		 4wmzA-4fayA:
17.56
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.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 PHE A 110
TYR A 116
THR A 295
LEU A 356
MET A 460
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 1.33A 4wmzA-4g3jA:
39.7		 4wmzA-4g3jA:
29.33
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.
4x9q SUPEROXIDE DISMUTASE
[MN] 2,
MITOCHONDRIAL

(Caenorhabditis
elegans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 TYR A 161
ILE A 176
TYR A 172
GLY A 123
THR A 138
 None
 1.43A 4wmzA-4x9qA:
0.6		 4wmzA-4x9qA:
16.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		9 TYR A 118
PHE A 126
ILE A 131
TYR A 132
PHE A 228
GLY A 307
THR A 311
LEU A 376
MET A 508
 X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
X2N  A 590 (-4.2A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.9A)
X2N  A 590 (-3.5A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
X2N  A 590 (-4.8A)
 0.68A 4wmzA-5fsaA:
34.5		 4wmzA-5fsaA:
59.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		6 TYR A 126
ILE A 139
TYR A 140
THR A 318
LEU A 380
MET A 509
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.3A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
VOR  A 602 ( 4.2A)
 0.88A 4wmzA-5hs1A:
63.3		 4wmzA-5hs1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		8 TYR A 126
PHE A 134
ILE A 139
TYR A 140
PHE A 236
GLY A 314
THR A 318
LEU A 380
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
VOR  A 602 (-4.3A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.4A)
VOR  A 602 (-3.0A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
 0.41A 4wmzA-5hs1A:
63.3		 4wmzA-5hs1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		9 TYR A 127
PHE A 135
ILE A 140
TYR A 141
PHE A 237
GLY A 315
THR A 319
LEU A 381
MET A 512
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
1YN  A 602 (-4.4A)
HEM  A 601 (-4.2A)
1YN  A 602 (-4.5A)
1YN  A 602 ( 3.6A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 0.73A 4wmzA-5jlcA:
59.2		 4wmzA-5jlcA:
84.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 PHE A 114
TYR A 120
PHE A 292
THR A 297
LEU A 358
 TPF  A 506 (-4.4A)
None
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.38A 4wmzA-6ay4A:
42.8		 4wmzA-6ay4A:
33.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
PHE A 114
TYR A 120
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.66A 4wmzA-6ay4A:
42.8		 4wmzA-6ay4A:
33.21