SIMILAR PATTERNS OF AMINO ACIDS FOR 2IJ7_A_TPFA2472

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.
1q32 TYROSYL-DNA
PHOSPHODIESTERASE

(Saccharomyces
cerevisiae) 		PF06087
(Tyr-DNA_phospho) 		5 THR A 423
VAL A 422
THR A 382
SER A 389
GLN A 213
 None
 1.29A 2ij7A-1q32A:
0.0		 2ij7A-1q32A:
21.04
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 VAL A 355
MET A 375
PHE A  82
SER A   8
PHE A  45
 None
 1.48A 2ij7A-1rqgA:
0.0		 2ij7A-1rqgA:
21.67
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASN A 344
THR A 268
ALA A 265
SER A 256
PHE A 243
 None
None
None
FAD  A1601 ( 4.6A)
None
 1.49A 2ij7A-1v5fA:
0.0		 2ij7A-1v5fA:
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 THR A 135
ASN A  18
MET A  17
THR A 123
ALA A 126
 THR  A 135 ( 0.8A)
ASN  A  18 ( 0.6A)
MET  A  17 ( 0.0A)
THR  A 123 ( 0.8A)
ALA  A 126 ( 0.0A)
 1.27A 2ij7A-2ogsA:
0.0		 2ij7A-2ogsA:
23.66
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 THR A 660
VAL A 657
ALA A 636
SER A 580
PHE A 575
 None
 1.23A 2ij7A-2okxA:
0.0		 2ij7A-2okxA:
19.01
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 THR A 155
VAL A 154
ALA A 125
SER A  97
PHE A 343
 None
 1.40A 2ij7A-2pncA:
0.0		 2ij7A-2pncA:
19.17
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.
2pnw MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE

(Agrobacterium
fabrum) 		PF03562
(MltA)
PF06725
(3D) 		5 THR A 349
VAL A 350
THR A 337
ALA A 343
GLN A 233
 None
 1.31A 2ij7A-2pnwA:
0.0		 2ij7A-2pnwA:
24.36
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 VAL A 189
THR A 299
ALA A 303
SER A 307
PHE A  48
 PR8  A 601 (-4.2A)
None
None
None
None
 1.42A 2ij7A-3ialA:
undetectable		 2ij7A-3ialA:
21.53
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.
3sq7 TYROSYL-DNA
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF06087
(Tyr-DNA_phospho) 		5 THR A 423
VAL A 422
THR A 382
SER A 389
GLN A 213
 SO4  A   6 (-3.9A)
None
None
None
None
 1.28A 2ij7A-3sq7A:
0.0		 2ij7A-3sq7A:
22.44
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 VAL A 447
ASN A 142
PHE A 482
ALA A 469
SER A 466
 None
 1.40A 2ij7A-3uk1A:
undetectable		 2ij7A-3uk1A:
20.72
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.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		5 THR A 299
VAL A 304
PHE A 435
ALA A 400
PHE A 609
 None
 1.42A 2ij7A-3x3yA:
undetectable		 2ij7A-3x3yA:
23.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		11 THR A  77
VAL A  78
ASN A  85
MET A  86
PHE A 168
THR A 229
ALA A 233
SER A 237
PHE A 280
GLN A 385
ARG A 386
 None
None
1ED  A 406 (-3.7A)
HEM  A 405 (-4.5A)
1ED  A 406 (-4.1A)
1ED  A 406 (-4.3A)
HEM  A 405 ( 3.8A)
HEM  A 405 (-3.9A)
HEM  A 405 (-4.2A)
1ED  A 406 ( 4.8A)
1ED  A 406 ( 4.6A)
 0.37A 2ij7A-4ictA:
67.3		 2ij7A-4ictA:
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 VAL A 330
ASN A 259
THR A 261
PHE A1146
ARG A  49
 None
 1.25A 2ij7A-4iglA:
undetectable		 2ij7A-4iglA:
14.50
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase)
PF02934
(GatB_N) 		5 ASN A 341
ALA A 294
SER A 298
PHE B 109
ARG A 324
 None
 1.47A 2ij7A-4n0iA:
undetectable		 2ij7A-4n0iA:
23.64
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.
4p2f ADENYLATE CYCLASE

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc) 		5 VAL A 345
PHE A 283
THR A 327
ALA A 330
PHE A 275
 None
None
EDO  A 503 (-3.9A)
None
None
 1.30A 2ij7A-4p2fA:
undetectable		 2ij7A-4p2fA:
21.86
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.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		5 VAL A 556
ASN A 457
THR A 453
ALA A 565
SER A 568
 None
 1.46A 2ij7A-4q85A:
undetectable		 2ij7A-4q85A:
22.67
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1

(Streptomyces
avermitilis) 		PF00698
(Acyl_transf_1) 		5 THR A 259
VAL A 258
PHE A 254
ALA A 126
SER A 130
 None
 1.40A 2ij7A-4rl1A:
undetectable		 2ij7A-4rl1A:
23.08
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1

(Streptomyces
avermitilis) 		PF00698
(Acyl_transf_1) 		5 THR A 259
VAL A 258
PHE A 254
ALA A 127
SER A 130
 None
 1.23A 2ij7A-4rl1A:
undetectable		 2ij7A-4rl1A:
23.08
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		5 ASN A 283
THR A  45
ALA A  38
PHE A 203
GLN A 204
 None
 1.46A 2ij7A-5b4sA:
undetectable		 2ij7A-5b4sA:
21.93
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF01058
(Oxidored_q6)
PF02662
(FlpD) 		5 VAL E 245
ASN E 175
ALA E 255
SER E 258
ARG D  84
 None
SF4  A 707 (-3.5A)
None
None
None
 1.38A 2ij7A-5odrE:
undetectable		 2ij7A-5odrE:
21.89
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.
5sy4 CHAPERONE YAJL

(Escherichia
coli) 		PF01965
(DJ-1_PfpI) 		5 THR A  33
VAL A  32
ALA A  18
SER A  13
PHE A  82
 None
 1.40A 2ij7A-5sy4A:
undetectable		 2ij7A-5sy4A:
22.61
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.
5xnc -

(-) 		no annotation 5 THR A 131
VAL A 130
PHE A 111
THR A 162
ALA A 165
 None
 1.49A 2ij7A-5xncA:
undetectable		 2ij7A-5xncA:
undetectable
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 VAL A  76
ASN A 178
THR A 179
ALA A 183
SER A 187
 None
None
SO4  A 401 (-2.8A)
None
None
 1.35A 2ij7A-6b5fA:
undetectable		 2ij7A-6b5fA:
23.46