SIMILAR PATTERNS OF AMINO ACIDS FOR 2IJ7_F_TPFF2474

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
 1.27A 2ij7F-1q32A:
0.0		 2ij7F-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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 VAL A1251
MET A1273
PHE A1209
THR A1232
ALA A1189
 None
 1.45A 2ij7F-2b39A:
0.0		 2ij7F-2b39A:
12.83
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
 1.39A 2ij7F-2pnwA:
0.0		 2ij7F-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.
2qm3 PREDICTED
METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01861
(DUF43) 		5 THR A 130
VAL A 129
PHE A 110
THR A 161
ALA A 164
 None
 1.50A 2ij7F-2qm3A:
0.0		 2ij7F-2qm3A:
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.
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
 1.27A 2ij7F-2v65A:
0.0		 2ij7F-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
 1.33A 2ij7F-2xpiA:
0.0		 2ij7F-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.
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
 1.26A 2ij7F-3sq7A:
0.0		 2ij7F-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
 1.38A 2ij7F-3uk1A:
0.0		 2ij7F-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
MET A  86
PHE A 168
THR A 229
ALA A 233
SER A 237
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)
1ED  A 406 ( 4.8A)
1ED  A 406 ( 4.6A)
 0.31A 2ij7F-4ictA:
66.6		 2ij7F-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
 1.31A 2ij7F-4iugA:
undetectable		 2ij7F-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.
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 2ij7F-4q85A:
undetectable		 2ij7F-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
 1.42A 2ij7F-4rl1A:
undetectable		 2ij7F-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
 1.24A 2ij7F-4rl1A:
undetectable		 2ij7F-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.
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
 1.40A 2ij7F-5odrE:
undetectable		 2ij7F-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.
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
 1.33A 2ij7F-6b5fA:
undetectable		 2ij7F-6b5fA:
23.46