SIMILAR PATTERNS OF AMINO ACIDS FOR 1YMX_B_CFXB1002_2

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
PRO A 167
THR A 216
THR A 235
 None
 0.18A 1ymxB-1bsgA:
43.2		 1ymxB-1bsgA:
46.47
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.
1fbv SIGNAL TRANSDUCTION
PROTEIN CBL

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3)
PF14447
(Prok-RING_4) 		4 TYR A  83
PRO A  89
THR A 273
THR A 152
 None
 1.12A 1ymxB-1fbvA:
undetectable		 1ymxB-1fbvA:
21.39
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 TYR A  39
PRO A  35
THR A 399
THR A  16
 FAD  A 699 (-4.8A)
FAD  A 699 (-4.2A)
None
None
 1.46A 1ymxB-1fcdA:
undetectable		 1ymxB-1fcdA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		4 TYR A 105
PRO A 167
THR A 216
THR A 235
 MES  A1000 (-3.9A)
None
MES  A1000 (-3.7A)
MES  A1000 (-3.7A)
 0.24A 1ymxB-1hzoA:
46.7		 1ymxB-1hzoA:
65.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		4 TYR A 105
PRO A 167
THR A 216
THR A 235
 CFX  A1300 ( 4.9A)
CFX  A1300 (-4.4A)
CFX  A1300 (-3.2A)
CFX  A1300 (-3.6A)
 0.35A 1ymxB-1i2wA:
41.5		 1ymxB-1i2wA:
42.70
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 CYH A 245
TYR A  73
PRO A 187
THR A 289
 None
HPA  A 599 (-3.2A)
None
None
 1.21A 1ymxB-1jftA:
undetectable		 1ymxB-1jftA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
PRO A 167
THR A 216
THR A 235
 None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.6A)
 0.21A 1ymxB-1n4oA:
40.8		 1ymxB-1n4oA:
47.27
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.
1s5l PHOTOSYSTEM II
MANGANESE-STABILIZIN
G POLYPEPTIDE

(Thermosynechococcus
elongatus) 		PF01716
(MSP) 		4 TYR O 151
PRO O 149
THR O  72
THR O  75
 None
 1.21A 1ymxB-1s5lO:
undetectable		 1ymxB-1s5lO:
24.41
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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE

(Thermococcus
profundus) 		PF00155
(Aminotran_1_2) 		4 TYR A 249
PRO A 103
THR A 191
THR A 235
 None
 1.34A 1ymxB-1wstA:
undetectable		 1ymxB-1wstA:
22.30
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 CYH A 235
PRO A 285
THR A 118
THR A 206
 None
 1.25A 1ymxB-1xhbA:
undetectable		 1ymxB-1xhbA:
18.41
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.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 CYH A 263
PRO A 364
THR A 147
THR A 234
 None
 1.39A 1ymxB-2d7iA:
undetectable		 1ymxB-2d7iA:
19.30
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 TYR A 205
PRO A  67
THR A   7
THR A  11
 None
 1.48A 1ymxB-2i62A:
undetectable		 1ymxB-2i62A:
22.48
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.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		4 TYR A 223
PRO A 220
THR A 276
THR A  18
 None
 1.48A 1ymxB-2oqcA:
undetectable		 1ymxB-2oqcA:
22.74
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.
2vnr CPE0329

(Clostridium
perfringens) 		PF08305
(NPCBM) 		4 TYR A 198
PRO A  68
THR A 105
THR A  53
 None
 1.45A 1ymxB-2vnrA:
undetectable		 1ymxB-2vnrA:
23.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 216
THR A 235
 None
 0.70A 1ymxB-2wyxA:
46.1		 1ymxB-2wyxA:
83.98
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 TYR A 435
PRO A 774
THR A 683
THR A 789
 None
 1.43A 1ymxB-2xvgA:
undetectable		 1ymxB-2xvgA:
14.38
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.
2yv3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 TYR A  97
PRO A  99
THR A 127
THR A 214
 None
 1.42A 1ymxB-2yv3A:
undetectable		 1ymxB-2yv3A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		4 CYH A  72
PRO A 170
THR A 219
THR A 238
 None
None
SO4  A 301 ( 4.0A)
SO4  A 301 (-3.9A)
 0.32A 1ymxB-3bydA:
47.3		 1ymxB-3bydA:
74.53
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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 CYH A 413
TYR A 501
PRO A 287
THR A 439
 None
 1.45A 1ymxB-3c2uA:
undetectable		 1ymxB-3c2uA:
20.33
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.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		4 TYR A 559
PRO A 580
THR A1000
THR A1021
 None
 1.28A 1ymxB-3cmmA:
undetectable		 1ymxB-3cmmA:
15.45
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.
3cuo UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YGAV

(Escherichia
coli) 		PF01022
(HTH_5) 		4 TYR A  79
PRO A  37
THR A  55
THR A  45
 None
 1.35A 1ymxB-3cuoA:
undetectable		 1ymxB-3cuoA:
19.74
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 TYR A 117
PRO A 120
THR A 704
THR A 147
 None
 1.49A 1ymxB-3ddrA:
undetectable		 1ymxB-3ddrA:
16.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		4 CYH A  83
PRO A 183
THR A 232
THR A 251
 DWZ  A 400 (-4.9A)
None
DWZ  A 400 ( 4.5A)
DWZ  A 400 (-3.5A)
 0.33A 1ymxB-3dwzA:
41.3		 1ymxB-3dwzA:
45.35
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 CYH A 324
TYR B 182
THR B  18
THR A 318
 None
None
NIO  B5661 (-3.9A)
None
 1.38A 1ymxB-3hrdA:
undetectable		 1ymxB-3hrdA:
21.14
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.
3iup PUTATIVE
NADPH:QUINONE
OXIDOREDUCTASE

(Cupriavidus
pinatubonensis) 		no annotation 4 CYH A 220
PRO A 225
THR A 247
THR A 177
 None
None
NDP  A 401 (-4.5A)
None
 1.11A 1ymxB-3iupA:
undetectable		 1ymxB-3iupA:
23.53
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.
3jcu OXYGEN-EVOLVING
ENHANCER PROTEIN 1,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01716
(MSP) 		4 TYR O 234
PRO O 232
THR O 163
THR O 166
 None
 1.24A 1ymxB-3jcuO:
undetectable		 1ymxB-3jcuO:
24.27
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.
3khy PROPIONATE KINASE

(Francisella
tularensis) 		PF00871
(Acetate_kinase) 		4 CYH A 205
PRO A 224
THR A 370
THR A 320
 None
 1.24A 1ymxB-3khyA:
undetectable		 1ymxB-3khyA:
21.50
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.
3kxw SAFRAMYCIN MX1
SYNTHETASE B

(Legionella
pneumophila) 		PF00501
(AMP-binding) 		4 CYH A 559
PRO A 569
THR A 537
THR A 501
 None
 1.30A 1ymxB-3kxwA:
undetectable		 1ymxB-3kxwA:
17.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		4 TYR A  98
PRO A 159
THR A 208
THR A 227
 None
None
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.6A)
 0.76A 1ymxB-3p09A:
39.7		 1ymxB-3p09A:
31.12
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.
3pe8 ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 CYH A  63
PRO A  60
THR A 124
THR A 101
 None
 1.15A 1ymxB-3pe8A:
undetectable		 1ymxB-3pe8A:
23.43
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.
3qyr ECHA16_2

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 CYH A  62
PRO A  59
THR A 123
THR A 100
 None
 1.13A 1ymxB-3qyrA:
undetectable		 1ymxB-3qyrA:
24.57
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 CYH A 309
TYR A 315
THR A  23
THR A 360
 None
 1.36A 1ymxB-3r0zA:
undetectable		 1ymxB-3r0zA:
22.60
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.
3r9p ACKA

(Mycobacterium
avium) 		PF00871
(Acetate_kinase) 		4 CYH A 202
PRO A 221
THR A 371
THR A 317
 None
PGE  A 390 ( 4.6A)
None
None
 1.17A 1ymxB-3r9pA:
undetectable		 1ymxB-3r9pA:
22.78
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 TYR B  39
PRO B  35
THR B 399
THR B  16
 FAD  B 501 (-4.6A)
FAD  B 501 (-4.4A)
None
None
 1.41A 1ymxB-3vrdB:
undetectable		 1ymxB-3vrdB:
22.25
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.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		4 CYH B  10
PRO B 327
THR B  55
THR B  13
 AGS  B1342 ( 4.5A)
CL  B1338 (-4.1A)
None
None
 0.97A 1ymxB-3zeuB:
undetectable		 1ymxB-3zeuB:
24.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 216
THR A 235
 None
 0.41A 1ymxB-3znyA:
47.8		 1ymxB-3znyA:
82.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
PRO A 167
THR A 216
THR A 235
 None
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 (-3.0A)
 0.27A 1ymxB-4c6yA:
43.4		 1ymxB-4c6yA:
58.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		4 TYR A 105
PRO A 167
THR A 216
THR A 235
 PEG  A 307 ( 3.2A)
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 (-3.0A)
 0.82A 1ymxB-4c6yA:
43.4		 1ymxB-4c6yA:
58.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 216
THR A 235
 None
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.8A)
 0.52A 1ymxB-4c75A:
42.8		 1ymxB-4c75A:
57.03
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.
4ej1 NB113 CAMELID
ANTIBODY FRAGMENT

(Lama glama) 		PF07686
(V-set) 		4 TYR C 107
PRO C 113
THR C  57
THR C  52
 None
 1.48A 1ymxB-4ej1C:
undetectable		 1ymxB-4ej1C:
22.30
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.
4fzn BACTERIOCIN

(Pseudomonas
syringae group
genomosp. 3) 		PF14859
(Colicin_M) 		4 TYR A 261
PRO A 122
THR A 201
THR A 133
 None
 1.33A 1ymxB-4fznA:
undetectable		 1ymxB-4fznA:
23.62
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.
4jjt ENOYL-COA HYDRATASE

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		4 CYH A  62
PRO A  59
THR A 123
THR A 100
 None
 1.12A 1ymxB-4jjtA:
undetectable		 1ymxB-4jjtA:
23.10
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.
4jn6 ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		4 TYR B  88
PRO B 120
THR B  76
THR B  99
 None
 1.10A 1ymxB-4jn6B:
undetectable		 1ymxB-4jn6B:
25.39
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.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		4 TYR B 107
PRO B 139
THR B  95
THR B 118
 None
None
NAD  B 401 (-4.1A)
NAD  B 401 (-4.0A)
 1.04A 1ymxB-4lrsB:
undetectable		 1ymxB-4lrsB:
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.
4n4r LPS-ASSEMBLY
LIPOPROTEIN LPTE
LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04390
(LptE)
PF04453
(OstA_C) 		4 TYR A 706
PRO A 714
THR B  86
THR A 351
 None
 1.05A 1ymxB-4n4rA:
undetectable		 1ymxB-4n4rA:
16.12
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 CYH A 652
PRO A 352
THR A  57
THR A 681
 None
 1.49A 1ymxB-4nsxA:
undetectable		 1ymxB-4nsxA:
16.01
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		4 TYR A 996
PRO A 609
THR A 800
THR A 865
 None
 1.38A 1ymxB-5d0fA:
undetectable		 1ymxB-5d0fA:
10.54
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.
5dss MP-4

(Mucuna pruriens) 		PF00197
(Kunitz_legume) 		4 TYR B  53
PRO B  25
THR B  40
THR B  48
 None
 1.43A 1ymxB-5dssB:
undetectable		 1ymxB-5dssB:
23.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		5 CYH A  46
TYR A  82
PRO A 144
THR A 193
THR A 212
 None
 0.57A 1ymxB-5e2eA:
44.5		 1ymxB-5e2eA:
58.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 TYR A  97
PRO A 160
THR A 209
THR A 228
 CIT  A 303 (-4.1A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.6A)
 0.39A 1ymxB-5eoeA:
40.7		 1ymxB-5eoeA:
41.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 CYH A 233
PRO A 260
THR A 215
THR A 230
 None
None
None
IM2  A 301 (-3.6A)
 1.42A 1ymxB-5f83A:
39.4		 1ymxB-5f83A:
37.64
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.
5fsy MACRODOMAIN

(Trypanosoma
brucei) 		PF01661
(Macro) 		4 CYH A 207
PRO A 108
THR A 255
THR A 222
 AR6  A1262 ( 4.5A)
AR6  A1262 (-4.7A)
None
None
 1.46A 1ymxB-5fsyA:
undetectable		 1ymxB-5fsyA:
23.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
TYR A 105
THR A 216
THR A 235
 None
 0.76A 1ymxB-5gl9A:
45.0		 1ymxB-5gl9A:
57.46
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.
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4

(Homo sapiens) 		no annotation 4 CYH A 253
PRO A 303
THR A 137
THR A 224
 None
 1.23A 1ymxB-5nqaA:
undetectable		 1ymxB-5nqaA:
17.62
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.
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4

(Homo sapiens) 		no annotation 4 CYH A 253
PRO A 356
THR A 137
THR A 224
 None
 1.29A 1ymxB-5nqaA:
undetectable		 1ymxB-5nqaA:
17.62
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.
5ui2 ORANGE
CAROTENOID-BINDING
PROTEIN

(Arthrospira
maxima) 		PF02136
(NTF2)
PF09150
(Carot_N) 		4 TYR A 266
PRO A 261
THR A   4
THR A   7
 None
 1.40A 1ymxB-5ui2A:
undetectable		 1ymxB-5ui2A:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		4 CYH A  57
PRO A 156
THR A 206
THR A 226
 None
 0.48A 1ymxB-5vpqA:
41.2		 1ymxB-5vpqA:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 CYH A  69
TYR A 105
PRO A 167
THR A 216
THR A 235
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 302 ( 4.3A)
3GK  A 301 (-3.7A)
 0.20A 1ymxB-6bu3A:
49.6		 1ymxB-6bu3A:
98.75