SIMILAR PATTERNS OF AMINO ACIDS FOR 5KKZ_A_ASCA1004

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.
1dnp DNA PHOTOLYASE

(Escherichia
coli) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 HIS A  14
VAL A 169
ARG A 249
HIS A 253
 None
 1.38A 5kkzA-1dnpA:
0.0
5kkzG-1dnpA:
0.0		 5kkzA-1dnpA:
23.91
5kkzG-1dnpA:
18.51
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.
1dnp DNA PHOTOLYASE

(Escherichia
coli) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 HIS A  14
VAL A 169
GLN A 250
HIS A 253
 None
 1.47A 5kkzA-1dnpA:
0.0
5kkzG-1dnpA:
0.0		 5kkzA-1dnpA:
23.91
5kkzG-1dnpA:
18.51
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.
1fp3 N-ACYL-D-GLUCOSAMINE
2-EPIMERASE

(Sus scrofa) 		PF07221
(GlcNAc_2-epim) 		4 HIS A 156
VAL A 155
TYR A 203
ARG A 202
 None
 1.48A 5kkzA-1fp3A:
0.0
5kkzG-1fp3A:
0.0		 5kkzA-1fp3A:
21.03
5kkzG-1fp3A:
20.40
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.
1hsk UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Staphylococcus
aureus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 VAL A 169
TYR A  77
GLN A 172
HIS A 196
 None
 1.49A 5kkzA-1hskA:
undetectable
5kkzG-1hskA:
0.0		 5kkzA-1hskA:
20.94
5kkzG-1hskA:
20.44
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.
1m4x PBCV-1 VIRUS CAPSID

(Paramecium
bursaria
Chlorella virus
1) 		PF04451
(Capsid_NCLDV)
PF16903
(Capsid_N) 		4 HIS A 108
TYR A 129
ARG A 121
GLN A 157
 None
 1.47A 5kkzA-1m4xA:
0.0
5kkzG-1m4xA:
0.0		 5kkzA-1m4xA:
21.08
5kkzG-1m4xA:
20.99
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.
1mhc MHC CLASS I ANTIGEN
H2-M3

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 VAL A  67
TYR A  22
GLN A  34
HIS A   9
 None
 1.05A 5kkzA-1mhcA:
undetectable
5kkzG-1mhcA:
0.5		 5kkzA-1mhcA:
19.03
5kkzG-1mhcA:
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.
1od6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Thermus
thermophilus) 		PF01467
(CTP_transf_like) 		4 HIS A   2
VAL A  78
TYR A 110
GLN A  84
 None
None
SO4  A1164 (-4.1A)
None
 1.29A 5kkzA-1od6A:
undetectable
5kkzG-1od6A:
0.0		 5kkzA-1od6A:
19.05
5kkzG-1od6A:
24.14
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.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 VAL A 390
TYR A 345
GLN A 365
HIS A 394
 None
GOL  A   3 (-4.6A)
None
GOL  A   3 (-3.9A)
 1.48A 5kkzA-1opkA:
0.0
5kkzG-1opkA:
0.0		 5kkzA-1opkA:
21.60
5kkzG-1opkA:
16.36
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 VAL A 410
ARG A 404
GLN A  52
HIS A 400
 FAD  A1656 (-3.7A)
FUM  A1657 ( 2.7A)
None
None
 1.44A 5kkzA-1qlbA:
0.0
5kkzG-1qlbA:
0.0		 5kkzA-1qlbA:
21.67
5kkzG-1qlbA:
14.07
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		4 VAL A 313
TYR A 251
GLN A 263
HIS A 315
 None
 1.30A 5kkzA-1qwrA:
undetectable
5kkzG-1qwrA:
0.2		 5kkzA-1qwrA:
20.00
5kkzG-1qwrA:
21.70
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.
1rcd L FERRITIN

(Rana
catesbeiana) 		PF00210
(Ferritin) 		4 HIS A 114
TYR A  68
ARG A  72
HIS A 124
 None
 1.46A 5kkzA-1rcdA:
2.4
5kkzG-1rcdA:
undetectable		 5kkzA-1rcdA:
15.77
5kkzG-1rcdA:
26.15
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 HIS B 642
VAL B 462
TYR B 348
ARG B 382
 None
 1.48A 5kkzA-1t3qB:
undetectable
5kkzG-1t3qB:
0.1		 5kkzA-1t3qB:
21.13
5kkzG-1t3qB:
13.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 HIS C 291
VAL C 293
TYR C 302
ARG C 306
 None
None
SMA  C 503 (-4.2A)
None
 0.90A 5kkzA-1zrtC:
51.3
5kkzG-1zrtC:
undetectable		 5kkzA-1zrtC:
82.47
5kkzG-1zrtC:
15.63
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		4 HIS A 230
VAL A 206
TYR A  62
GLN A  79
 SAM  A 417 ( 3.6A)
None
None
None
 1.13A 5kkzA-2a5hA:
undetectable
5kkzG-2a5hA:
undetectable		 5kkzA-2a5hA:
21.96
5kkzG-2a5hA:
19.06
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.
2bun APPA

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		4 HIS A  68
VAL A  72
GLN A  49
HIS A  44
 None
None
None
FAD  A1126 (-3.3A)
 1.24A 5kkzA-2bunA:
undetectable
5kkzG-2bunA:
undetectable		 5kkzA-2bunA:
15.44
5kkzG-2bunA:
17.65
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.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 HIS A  16
VAL A  56
TYR A  58
HIS A 332
 None
 1.48A 5kkzA-2dieA:
undetectable
5kkzG-2dieA:
undetectable		 5kkzA-2dieA:
20.70
5kkzG-2dieA:
19.25
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.
2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE

(Homo sapiens) 		PF00171
(Aldedh) 		4 HIS A 713
VAL A 714
GLN A 682
HIS A 689
 None
 1.27A 5kkzA-2h5gA:
undetectable
5kkzG-2h5gA:
undetectable		 5kkzA-2h5gA:
21.83
5kkzG-2h5gA:
17.52
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 HIS A 808
ARG A 459
GLN A 813
HIS A 230
 None
None
None
GOL  A1981 (-3.9A)
 1.30A 5kkzA-2ivfA:
undetectable
5kkzG-2ivfA:
undetectable		 5kkzA-2ivfA:
17.82
5kkzG-2ivfA:
10.66
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.
2ol5 PAI 2 PROTEIN

(Geobacillus
stearothermophilus) 		PF04299
(FMN_bind_2) 		4 VAL A  92
TYR A  86
ARG A 174
HIS A 170
 None
 1.31A 5kkzA-2ol5A:
undetectable
5kkzG-2ol5A:
undetectable		 5kkzA-2ol5A:
17.26
5kkzG-2ol5A:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qjp CYTOCHROME B

(Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 HIS A 291
VAL A 293
TYR A 302
ARG A 306
 None
None
SMA  A   1 (-4.4A)
None
 0.45A 5kkzA-2qjpA:
57.5
5kkzG-2qjpA:
undetectable		 5kkzA-2qjpA:
100.00
5kkzG-2qjpA:
16.78
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.
2wb7 PT26-6P

(Thermococcus
sp. 26-2) 		no annotation 4 HIS A 499
TYR A 400
GLN A 650
HIS A 421
 None
 1.12A 5kkzA-2wb7A:
0.5
5kkzG-2wb7A:
undetectable		 5kkzA-2wb7A:
21.63
5kkzG-2wb7A:
15.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yiu CYTOCHROME B

(Paracoccus
denitrificans) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 HIS A 291
VAL A 293
TYR A 302
ARG A 306
 None
None
SMA  A 502 (-4.5A)
None
 0.45A 5kkzA-2yiuA:
57.1
5kkzG-2yiuA:
undetectable		 5kkzA-2yiuA:
83.37
5kkzG-2yiuA:
18.16
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.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		4 VAL B 236
TYR B  99
GLN B 263
HIS B 348
 None
 1.16A 5kkzA-2zbkB:
undetectable
5kkzG-2zbkB:
undetectable		 5kkzA-2zbkB:
21.89
5kkzG-2zbkB:
16.50
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.
3a0h PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00124
(Photo_RC) 		4 HIS D 197
VAL D 286
TYR D 160
HIS D 189
 CLA  D1004 ( 4.3A)
CLA  D1004 (-4.1A)
IOD  D1068 (-3.7A)
None
 1.35A 5kkzA-3a0hD:
undetectable
5kkzG-3a0hD:
undetectable		 5kkzA-3a0hD:
23.06
5kkzG-3a0hD:
19.76
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.
3e23 UNCHARACTERIZED
PROTEIN RPA2492

(Rhodopseudomonas
palustris) 		PF08241
(Methyltransf_11) 		4 HIS A 109
TYR A  17
ARG A 154
HIS A 114
 SAM  A 221 ( 3.7A)
SAM  A 221 (-3.8A)
SO4  A 222 (-3.2A)
SAM  A 221 (-4.3A)
 1.31A 5kkzA-3e23A:
undetectable
5kkzG-3e23A:
undetectable		 5kkzA-3e23A:
19.31
5kkzG-3e23A:
22.71
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 HIS A 152
VAL A 150
TYR A  86
HIS A  57
 None
 1.20A 5kkzA-3gm8A:
undetectable
5kkzG-3gm8A:
undetectable		 5kkzA-3gm8A:
18.87
5kkzG-3gm8A:
13.11
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.
3hr4 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		4 HIS A 639
VAL A 623
TYR A 621
GLN A 643
 None
 1.30A 5kkzA-3hr4A:
undetectable
5kkzG-3hr4A:
undetectable		 5kkzA-3hr4A:
18.20
5kkzG-3hr4A:
18.67
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.
3ih5 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Bacteroides
thetaiotaomicron) 		PF01012
(ETF) 		4 HIS A 188
VAL A  39
TYR A   6
HIS A  76
 None
 1.41A 5kkzA-3ih5A:
undetectable
5kkzG-3ih5A:
undetectable		 5kkzA-3ih5A:
19.04
5kkzG-3ih5A:
23.93
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.
3mca ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		4 HIS A 358
VAL A 360
TYR A 382
GLN A 393
 None
 1.42A 5kkzA-3mcaA:
undetectable
5kkzG-3mcaA:
undetectable		 5kkzA-3mcaA:
21.10
5kkzG-3mcaA:
15.20
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		4 HIS A 864
VAL A 865
TYR A 751
GLN A 772
 SO4  A 994 (-3.9A)
None
None
None
 1.18A 5kkzA-3opyA:
undetectable
5kkzG-3opyA:
undetectable		 5kkzA-3opyA:
18.87
5kkzG-3opyA:
10.66
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 VAL A 103
TYR A  18
ARG A  45
HIS A  49
 None
 1.37A 5kkzA-3ramA:
undetectable
5kkzG-3ramA:
undetectable		 5kkzA-3ramA:
23.81
5kkzG-3ramA:
20.36
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.
3uof BACTERIOFERRITIN

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		4 HIS A  28
TYR A 133
GLN A  32
HIS A  43
 None
 1.42A 5kkzA-3uofA:
1.9
5kkzG-3uofA:
undetectable		 5kkzA-3uofA:
15.53
5kkzG-3uofA:
21.88
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.
3vzb SPHINGOSINE KINASE 1

(Homo sapiens) 		PF00781
(DAGK_cat) 		4 HIS A 237
VAL A 234
ARG A 162
HIS A 156
 EDO  A 404 (-3.6A)
None
None
None
 1.46A 5kkzA-3vzbA:
undetectable
5kkzG-3vzbA:
undetectable		 5kkzA-3vzbA:
22.01
5kkzG-3vzbA:
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.
4a3q ALANINE RACEMASE 1

(Staphylococcus
aureus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 HIS A  29
ARG A 219
GLN A 202
HIS A 200
 SO4  A1387 (-4.4A)
PLP  A1039 (-3.7A)
None
None
 1.42A 5kkzA-4a3qA:
undetectable
5kkzG-4a3qA:
undetectable		 5kkzA-4a3qA:
21.91
5kkzG-4a3qA:
19.06
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 VAL A 685
TYR A 404
GLN A 394
HIS A 695
 None
 1.22A 5kkzA-4iglA:
undetectable
5kkzG-4iglA:
undetectable		 5kkzA-4iglA:
15.65
5kkzG-4iglA:
8.58
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 YENC2

(Yersinia
entomophaga) 		no annotation 4 TYR B 611
ARG B 411
GLN B 387
HIS B 426
 None
 1.27A 5kkzA-4iglB:
undetectable
5kkzG-4iglB:
undetectable		 5kkzA-4iglB:
19.74
5kkzG-4iglB:
12.61
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 HIS A 279
VAL A 281
TYR A 533
HIS A 519
 None
 1.50A 5kkzA-4r1dA:
undetectable
5kkzG-4r1dA:
undetectable		 5kkzA-4r1dA:
21.47
5kkzG-4r1dA:
17.13
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.
4v3d ENDOTHELIAL PROTEIN
C RECEPTOR

(Homo sapiens) 		PF16497
(MHC_I_3) 		4 HIS B  36
TYR B 172
GLN B  54
HIS B  39
 None
PTY  B 200 (-4.2A)
None
PTY  B 200 (-3.9A)
 1.36A 5kkzA-4v3dB:
undetectable
5kkzG-4v3dB:
undetectable		 5kkzA-4v3dB:
17.53
5kkzG-4v3dB:
19.80
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.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 HIS A 160
TYR A 121
GLN A 158
HIS A 182
 ZN  A 401 ( 3.2A)
None
None
None
 1.19A 5kkzA-4xixA:
undetectable
5kkzG-4xixA:
undetectable		 5kkzA-4xixA:
20.70
5kkzG-4xixA:
23.75
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.
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 HIS A 850
VAL A 845
TYR A 801
GLN A 820
 None
 1.45A 5kkzA-5j9zA:
undetectable
5kkzG-5j9zA:
undetectable		 5kkzA-5j9zA:
22.15
5kkzG-5j9zA:
21.26
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.
5muf SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PGAM5, MITOCHONDRIAL

(Homo sapiens) 		PF00300
(His_Phos_1) 		4 HIS A 109
VAL A 110
GLN A 107
HIS A 105
 None
None
None
PO4  A 301 (-3.9A)
 1.48A 5kkzA-5mufA:
undetectable
5kkzG-5mufA:
undetectable		 5kkzA-5mufA:
18.51
5kkzG-5mufA:
20.24
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 VAL A 163
TYR A  98
ARG A  96
GLN A 736
 None
 1.29A 5kkzA-5n4lA:
undetectable
5kkzG-5n4lA:
0.0		 5kkzA-5n4lA:
undetectable
5kkzG-5n4lA:
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.
5opt 40S RIBOSOMAL
PROTEIN S17,
PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 HIS k 145
ARG k 173
GLN k 148
HIS k 174
 U  E 731 ( 4.2A)
U  E 730 ( 3.3A)
U  E 731 ( 4.3A)
None
 1.48A 5kkzA-5optk:
undetectable
5kkzG-5optk:
undetectable		 5kkzA-5optk:
16.29
5kkzG-5optk:
21.30
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.
5wpn FERRITIN

(Chaetopterus
variopedatus) 		no annotation 4 HIS A 115
TYR A  69
ARG A  73
HIS A 125
 ZN  A 205 ( 3.2A)
None
None
None
 1.35A 5kkzA-5wpnA:
undetectable
5kkzG-5wpnA:
undetectable		 5kkzA-5wpnA:
undetectable
5kkzG-5wpnA:
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.
5xhm FERRITIN, MIDDLE
SUBUNIT

(Rana
catesbeiana) 		PF00210
(Ferritin) 		4 HIS A 114
TYR A  68
ARG A  72
HIS A 124
 None
 1.40A 5kkzA-5xhmA:
2.2
5kkzG-5xhmA:
undetectable		 5kkzA-5xhmA:
14.13
5kkzG-5xhmA:
21.63
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.
6gu8 -

(-) 		no annotation 4 HIS A 398
VAL A 400
TYR A 408
HIS A 392
 PEG  A 509 ( 4.5A)
EDO  A 505 (-3.5A)
None
None
 1.28A 5kkzA-6gu8A:
undetectable
5kkzG-6gu8A:
0.3		 5kkzA-6gu8A:
undetectable
5kkzG-6gu8A:
undetectable