SIMILAR PATTERNS OF AMINO ACIDS FOR 2IJ7_D_TPFD2473

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
 1.21A 2ij7D-1q32A:
0.0		 2ij7D-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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		5 THR A 465
VAL A 464
ASN A 495
THR A 434
ALA A 436
 THR  A 465 ( 0.9A)
VAL  A 464 ( 0.6A)
ASN  A 495 ( 0.6A)
THR  A 434 ( 0.9A)
ALA  A 436 ( 0.0A)
 1.32A 2ij7D-1v0fA:
0.0		 2ij7D-1v0fA:
20.06
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A  95
VAL A 136
ASN A 164
ALA A 257
SER A  38
 None
 1.28A 2ij7D-1v6aA:
0.0		 2ij7D-1v6aA:
23.73
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 THR A 156
VAL A 155
ALA A 126
SER A  98
PHE A 344
 NAG  A1730 ( 4.3A)
None
None
None
None
 1.35A 2ij7D-2c11A:
0.0		 2ij7D-2c11A:
19.35
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.
2c1z UDP-GLUCOSE
FLAVONOID 3-O
GLYCOSYLTRANSFERASE

(Vitis vinifera) 		PF00201
(UDPGT) 		5 VAL A  27
PHE A  42
ALA A  21
SER A  44
PHE A  98
 None
 1.23A 2ij7D-2c1zA:
0.0		 2ij7D-2c1zA:
22.69
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
 1.24A 2ij7D-2okxA:
undetectable		 2ij7D-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
 1.37A 2ij7D-2pncA:
0.0		 2ij7D-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.
2v65 L-LACTATE
DEHYDROGENASE A
CHAIN

(Champsocephalus
gunnari) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A  97
VAL A 138
ASN A 166
ALA A 255
SER A  39
 None
 1.30A 2ij7D-2v65A:
0.0		 2ij7D-2v65A:
20.69
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.
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9

(Schizosaccharomyces
pombe) 		PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12) 		5 VAL A 505
ASN A 479
THR A 518
ALA A 516
SER A 546
 None
 1.36A 2ij7D-2xpiA:
0.0		 2ij7D-2xpiA:
21.52
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
 1.38A 2ij7D-3ialA:
undetectable		 2ij7D-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
 1.20A 2ij7D-3sq7A:
undetectable		 2ij7D-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
 1.41A 2ij7D-3uk1A:
undetectable		 2ij7D-3uk1A:
20.72
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) 		10 THR A  77
VAL A  78
ASN A  85
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)
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)
 0.26A 2ij7D-4ictA:
66.4		 2ij7D-4ictA:
100.00
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) 		5 VAL A  83
SER A 237
PHE A 280
GLN A 385
ARG A 386
 1ED  A 406 (-3.6A)
HEM  A 405 (-3.9A)
HEM  A 405 (-4.2A)
1ED  A 406 ( 4.8A)
1ED  A 406 ( 4.6A)
 1.50A 2ij7D-4ictA:
66.4		 2ij7D-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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 THR A 360
THR A 934
ALA A 921
SER A 961
GLN A 929
 None
 1.33A 2ij7D-4iugA:
undetectable		 2ij7D-4iugA:
18.26
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.
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
 1.49A 2ij7D-4n0iA:
undetectable		 2ij7D-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.
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
 1.35A 2ij7D-4q85A:
undetectable		 2ij7D-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
 1.39A 2ij7D-4rl1A:
undetectable		 2ij7D-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
 1.25A 2ij7D-4rl1A:
undetectable		 2ij7D-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.
4u6h HEAVY CHAIN OF
MURINE ANTI-VACCINIA
L1 IGG2A ANTIBODY
M12B9
PROTEIN L1

(Mus musculus;
Vaccinia virus) 		PF02442
(L1R_F9L)
PF07654
(C1-set)
PF07686
(V-set) 		5 VAL E  68
ASN E 157
THR E 151
ALA E  61
SER A  54
 None
 1.35A 2ij7D-4u6hE:
undetectable		 2ij7D-4u6hE:
18.94
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.
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 THR A 249
THR B 221
ALA B 255
SER B 253
PHE B 251
 None
None
MG  B2001 ( 4.2A)
MG  B2001 ( 4.2A)
None
 1.26A 2ij7D-4um8A:
undetectable		 2ij7D-4um8A:
21.54
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.
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
 1.39A 2ij7D-5odrE:
undetectable		 2ij7D-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 2ij7D-5sy4A:
undetectable		 2ij7D-5sy4A:
22.61