SIMILAR PATTERNS OF AMINO ACIDS FOR 3L4D_B_TPFB490_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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 PHE A  96
ALA A  62
ALA A  60
THR A 351
MET A 114
 None
 1.40A 3l4dB-1as4A:
undetectable		 3l4dB-1as4A:
22.37
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.
1mhy METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		5 PHE B 338
TYR B 227
ALA B 263
THR B 280
LEU B 148
 None
 1.14A 3l4dB-1mhyB:
0.7		 3l4dB-1mhyB:
22.92
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		5 TYR A 142
TYR A 111
ALA A 185
ALA A 189
THR A 193
 None
None
PEG  A1397 (-3.6A)
None
None
 1.39A 3l4dB-1ur4A:
undetectable		 3l4dB-1ur4A:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 MET A  79
PHE A  83
ALA A 256
THR A 260
LEU A 321
 ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
 1.04A 3l4dB-1x8vA:
38.6		 3l4dB-1x8vA:
32.63
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.
2fbq PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		5 MET A 199
PHE A 203
ALA A 167
ALA A 169
LEU A 108
 None
 1.41A 3l4dB-2fbqA:
0.9		 3l4dB-2fbqA:
20.54
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.
2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Aquifex
aeolicus) 		PF00308
(Bac_DnaA)
PF08299
(Bac_DnaA_C) 		5 PHE A 167
TYR A 171
ALA A 154
ALA A 152
LEU A 185
 None
 1.26A 3l4dB-2hcbA:
undetectable		 3l4dB-2hcbA:
21.91
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.
2o9r BETA-GLUCOSIDASE B

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		5 PHE A 251
TYR A 169
ALA A 195
ALA A 191
LEU A 311
 None
 1.46A 3l4dB-2o9rA:
undetectable		 3l4dB-2o9rA:
22.06
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.
2qos COMPLEMENT COMPONENT
8, GAMMA POLYPEPTIDE

(Homo sapiens) 		PF00061
(Lipocalin) 		5 TYR C  83
MET C  64
ALA C  28
THR C 110
LEU C 118
 None
 1.43A 3l4dB-2qosC:
undetectable		 3l4dB-2qosC:
17.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
 VNF  A 490 ( 3.8A)
None
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 0.88A 3l4dB-3kswA:
44.7		 3l4dB-3kswA:
76.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
MET A 106
TYR A 116
ALA A 291
THR A 295
 None
VNF  A 490 ( 3.8A)
VNF  A 490 (-4.6A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 0.86A 3l4dB-3kswA:
44.7		 3l4dB-3kswA:
76.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 116
MET A 106
PHE A 110
ALA A 287
ALA A 291
 VNF  A 490 (-4.6A)
VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
 1.30A 3l4dB-3kswA:
44.7		 3l4dB-3kswA:
76.04
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.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		5 PHE A 136
ALA A 134
ALA A 182
THR A 166
MET A 192
 None
 1.33A 3l4dB-3m4aA:
undetectable		 3l4dB-3m4aA:
21.34
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 MET A 335
PHE A 309
ALA A 311
THR A 326
LEU A 380
 None
 1.31A 3l4dB-3zzuA:
undetectable		 3l4dB-3zzuA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.92A 3l4dB-4g3jA:
57.7		 3l4dB-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		8 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.44A 3l4dB-4g3jA:
57.7		 3l4dB-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 TYR A 103
ALA A 288
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
HEM  A 501 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.33A 3l4dB-4g3jA:
57.7		 3l4dB-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		7 TYR A 103
MET A 106
TYR A 116
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 4.5A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.79A 3l4dB-4g3jA:
57.7		 3l4dB-4g3jA:
78.62
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.
4izd ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Ruegeria
pomeroyi) 		PF00378
(ECH_1) 		5 MET A 159
ALA A 125
ALA A 121
THR A 148
LEU A 139
 None
 1.46A 3l4dB-4izdA:
undetectable		 3l4dB-4izdA:
18.60
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 TYR A 126
TYR A 140
THR A 318
LEU A 380
MET A 509
 VOR  A 602 ( 3.8A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
VOR  A 602 ( 4.2A)
 1.19A 3l4dB-5hs1A:
39.8		 3l4dB-5hs1A:
28.92
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) 		6 TYR A 127
PHE A 135
TYR A 141
THR A 319
LEU A 381
MET A 512
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 0.92A 3l4dB-5jlcA:
37.7		 3l4dB-5jlcA:
31.13
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		5 MET A 188
PHE A 190
ALA A 276
ALA A 280
MET A 310
 NRF  A 601 ( 4.2A)
None
None
NRF  A 601 (-3.4A)
NRF  A 601 ( 4.6A)
 1.28A 3l4dB-5mogA:
undetectable		 3l4dB-5mogA:
23.91
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		5 PHE A 650
TYR A 629
ALA A 661
ALA A  70
LEU A 116
 None
 1.28A 3l4dB-5mqmA:
undetectable		 3l4dB-5mqmA:
18.88
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 TYR A 370
ALA A  16
ALA A 392
THR A 377
MET A 400
 FAD  A 701 ( 4.9A)
FAD  A 701 (-3.9A)
None
None
None
 1.24A 3l4dB-5xmjA:
undetectable		 3l4dB-5xmjA:
11.17
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 7 MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.90A 3l4dB-6ay4A:
46.6		 3l4dB-6ay4A:
36.02
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 6 TYR A 107
MET A 110
PHE A 114
TYR A 120
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.83A 3l4dB-6ay4A:
46.6		 3l4dB-6ay4A:
36.02
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.
6cfz DAD2
SPC19
SPC34

(Chaetomium
thermophilum) 		no annotation 5 ALA I  62
ALA I  58
THR I  55
LEU J  42
MET C  89
 None
 1.39A 3l4dB-6cfzI:
undetectable		 3l4dB-6cfzI:
10.87