SIMILAR PATTERNS OF AMINO ACIDS FOR 4C5L_B_PXLB300

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.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 GLY A 169
ALA A 164
GLY A 154
MET A 150
VAL A 314
 None
 1.24A 4c5lB-1eg1A:
undetectable		 4c5lB-1eg1A:
23.77
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.
1gq4 EZRIN-RADIXIN-MOESIN
BINDING
PHOSPHOPROTEIN-50

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  51
GLY A  52
VAL A  42
VAL A  90
CYH A  15
 None
None
CL  A1102 ( 4.9A)
None
None
 1.32A 4c5lB-1gq4A:
undetectable		 4c5lB-1gq4A:
12.81
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.
1im8 YECO

(Haemophilus
influenzae) 		PF13649
(Methyltransf_25) 		5 GLY A  86
ASP A  88
GLY A  63
VAL A  94
VAL A 120
 None
SAI  A 302 (-2.8A)
SAI  A 302 (-3.8A)
None
None
 1.27A 4c5lB-1im8A:
2.2		 4c5lB-1im8A:
19.86
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		5 ALA A  18
VAL A  49
VAL A 107
HIS A 209
CYH A 213
 HMH  A2001 ( 4.0A)
None
HMH  A2001 ( 4.7A)
SO4  A2005 (-4.3A)
HMH  A2001 (-3.6A)
 1.28A 4c5lB-1jxiA:
31.7		 4c5lB-1jxiA:
28.81
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		9 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
MET A  80
VAL A 107
HIS A 209
CYH A 213
 HMH  A2001 (-3.6A)
None
HMH  A2001 ( 4.0A)
HMH  A2001 ( 3.8A)
None
HMH  A2001 ( 4.5A)
HMH  A2001 ( 4.7A)
SO4  A2005 (-4.3A)
HMH  A2001 (-3.6A)
 0.52A 4c5lB-1jxiA:
31.7		 4c5lB-1jxiA:
28.81
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 GLY A 451
ASP A 457
ALA A 460
GLY A 458
VAL A 388
 None
 1.37A 4c5lB-1m64A:
undetectable		 4c5lB-1m64A:
21.13
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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 325
GLY A 326
VAL A 233
VAL A 294
CYH A 125
 None
 0.97A 4c5lB-1mzjA:
undetectable		 4c5lB-1mzjA:
20.22
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ASP A  18
ALA A 232
GLY A 231
VAL A  14
HIS A 202
 MN  A3504 ( 2.7A)
None
None
None
MN  A3504 ( 3.4A)
 1.49A 4c5lB-1nvmA:
undetectable		 4c5lB-1nvmA:
21.41
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.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 GLY A 170
ALA A 165
GLY A 153
MET A 149
VAL A 361
 None
 1.31A 4c5lB-1q2eA:
undetectable		 4c5lB-1q2eA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		7 GLY A   9
ASP A  11
ALA A  16
GLY A  17
VAL A 105
HIS A 206
CYH A 210
 None
 0.42A 4c5lB-1ub0A:
33.5		 4c5lB-1ub0A:
36.12
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.
1uxi MALATE DEHYDROGENASE

(Chloroflexus
aurantiacus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 274
ALA A 239
GLY A 272
VAL A 114
VAL A 269
 None
 1.21A 4c5lB-1uxiA:
undetectable		 4c5lB-1uxiA:
24.71
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 269
ASP A 267
GLY A 266
VAL A 236
CYH A 292
 None
NAD  A 501 (-4.4A)
NAD  A 501 (-3.5A)
None
NAD  A 501 (-3.4A)
 1.14A 4c5lB-1v8bA:
undetectable		 4c5lB-1v8bA:
17.31
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.
1w5f CELL DIVISION
PROTEIN FTSZ

(Thermotoga
maritima) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 120
ALA A  91
GLY A  88
VAL A  53
VAL A 126
 G2P  A 500 (-3.4A)
None
None
None
None
 1.27A 4c5lB-1w5fA:
3.0		 4c5lB-1w5fA:
24.19
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A  58
ALA A 260
GLY A 117
VAL A  70
MET A 119
 None
 1.44A 4c5lB-1wl4A:
undetectable		 4c5lB-1wl4A:
22.92
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.
1x2g LIPOATE-PROTEIN
LIGASE A

(Escherichia
coli) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 GLY A 146
ASP A 144
ALA A  29
GLY A  91
VAL A  33
 None
 1.45A 4c5lB-1x2gA:
undetectable		 4c5lB-1x2gA:
19.09
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.
1yb5 QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 159
ALA A 165
GLY A 162
VAL A 189
CYH A 166
 CL  A 816 ( 3.1A)
None
CL  A 816 (-3.3A)
None
None
 1.46A 4c5lB-1yb5A:
4.0		 4c5lB-1yb5A:
21.80
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.
1ym0 FIBRINOTIC ENZYME
COMPONENT B

(Eisenia fetida) 		PF00089
(Trypsin) 		5 ALA A  55
GLY A 196
VAL A  33
HIS A  57
CYH A  54
 None
 1.37A 4c5lB-1ym0A:
undetectable		 4c5lB-1ym0A:
17.73
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 GLY A 248
ALA A 275
GLY A 276
VAL A 252
CYH A 286
 None
 1.29A 4c5lB-2abqA:
20.6		 4c5lB-2abqA:
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.
2beo LISTERIOLYSIN
REGULATORY PROTEIN

(Listeria
monocytogenes) 		PF13545
(HTH_Crp_2) 		5 GLY A 138
ASP A 133
ALA A 218
GLY A 141
CYH A 144
 None
 1.44A 4c5lB-2beoA:
undetectable		 4c5lB-2beoA:
20.21
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 536
ALA A 542
GLY A 540
VAL A 553
HIS A 510
 None
 1.40A 4c5lB-2bklA:
undetectable		 4c5lB-2bklA:
18.77
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 GLY A  81
ASP A 440
ALA A 416
GLY A 417
VAL A  83
 None
None
ADP  A1001 (-3.3A)
None
None
 1.30A 4c5lB-2d0oA:
undetectable		 4c5lB-2d0oA:
21.43
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.
2e5f HYPOTHETICAL PROTEIN
PH0510

(Pyrococcus
horikoshii) 		PF01380
(SIS) 		5 GLY A 194
ALA A 219
VAL A 201
MET A 242
VAL A 240
 None
 1.41A 4c5lB-2e5fA:
3.5		 4c5lB-2e5fA:
22.41
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.
2f4l ACETAMIDASE,
PUTATIVE

(Thermotoga
maritima) 		PF03069
(FmdA_AmdA) 		5 GLY A  60
ALA A 167
GLY A 166
VAL A 200
VAL A  23
 None
 1.18A 4c5lB-2f4lA:
undetectable		 4c5lB-2f4lA:
23.01
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.
2f7v AECTYLCITRULLINE
DEACETYLASE

(Xanthomonas
campestris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 100
ALA A 109
GLY A 106
VAL A  16
VAL A 346
 None
 1.43A 4c5lB-2f7vA:
undetectable		 4c5lB-2f7vA:
24.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		9 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
MET A  82
VAL A 109
HIS A 212
CYH A 216
 None
 0.37A 4c5lB-2i5bA:
42.1		 4c5lB-2i5bA:
49.63
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.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		5 GLY A 239
ASP A 184
ALA A 186
GLY A 185
VAL A 181
 None
 1.39A 4c5lB-2iy9A:
3.0		 4c5lB-2iy9A:
21.81
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.
2m0u NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF1

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  51
GLY A  52
VAL A  42
VAL A  90
CYH A  15
 None
 1.24A 4c5lB-2m0uA:
undetectable		 4c5lB-2m0uA:
16.46
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.
2p10 MLL9387 PROTEIN

(Mesorhizobium
japonicum) 		PF09370
(PEP_hydrolase) 		5 GLY A  31
ALA A 258
GLY A 257
VAL A  52
VAL A 187
 None
CL  A 290 (-4.0A)
CL  A 289 (-3.6A)
None
None
 1.22A 4c5lB-2p10A:
undetectable		 4c5lB-2p10A:
22.29
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.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		5 GLY A 170
ALA A 165
GLY A 153
MET A 149
VAL A 360
 None
 1.38A 4c5lB-2rfzA:
undetectable		 4c5lB-2rfzA:
20.80
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.
2vsp PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A 415
GLY A 416
VAL A 406
VAL A 454
CYH A 379
 None
 1.28A 4c5lB-2vspA:
undetectable		 4c5lB-2vspA:
17.27
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A  99
ASP A  76
GLY A  75
VAL A  72
VAL A 119
 None
 1.31A 4c5lB-2wtzA:
2.3		 4c5lB-2wtzA:
20.04
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A  82
GLY A 114
VAL A  84
MET A 111
VAL A 136
 None
 1.20A 4c5lB-2z1aA:
undetectable		 4c5lB-2z1aA:
19.40
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 5 GLY A  57
ASP A  95
GLY A  98
VAL A  94
VAL A 123
 None
 1.48A 4c5lB-2zuxA:
undetectable		 4c5lB-2zuxA:
20.27
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 GLY A 153
ALA A 119
GLY A 135
VAL A 163
VAL A 132
 CL  A 304 (-3.5A)
None
CL  A 304 (-4.0A)
None
None
 1.29A 4c5lB-3cj8A:
undetectable		 4c5lB-3cj8A:
22.70
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 GLY A 523
ALA A 549
GLY A 525
VAL A 506
HIS A 398
 None
 1.50A 4c5lB-3djaA:
4.4		 4c5lB-3djaA:
18.54
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.
3dwd ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF01412
(ArfGap) 		5 GLY A  38
GLY A  79
VAL A  33
MET A  75
VAL A  13
 None
 1.38A 4c5lB-3dwdA:
undetectable		 4c5lB-3dwdA:
16.96
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.
3fao NON-STRUCTURAL
PROTEIN

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05579
(Peptidase_S32) 		5 GLY A  23
ALA A 118
GLY A 119
VAL A  15
HIS A  39
 None
PO4  A 205 ( 3.8A)
None
None
PO4  A 205 (-4.0A)
 1.29A 4c5lB-3faoA:
undetectable		 4c5lB-3faoA:
20.85
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 GLY A  64
ASP A  61
GLY A  33
HIS A 224
CYH A   7
 None
ZN  A 256 ( 4.5A)
None
None
None
 1.36A 4c5lB-3h3eA:
undetectable		 4c5lB-3h3eA:
23.90
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.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1

(Mycobacterium
tuberculosis) 		PF00464
(SHMT) 		5 GLY A 361
ALA A 333
GLY A 330
VAL A 321
VAL A 344
 None
 1.39A 4c5lB-3h7fA:
2.6		 4c5lB-3h7fA:
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.
3juc AIG2-LIKE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF06094
(GGACT) 		5 ASP A  22
ALA A  24
GLY A  23
VAL A  19
MET A  74
 None
 1.14A 4c5lB-3jucA:
undetectable		 4c5lB-3jucA:
19.26
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 ASP A 404
ALA A 392
GLY A 389
VAL A 405
VAL A 343
 None
 1.26A 4c5lB-3k1jA:
undetectable		 4c5lB-3k1jA:
19.79
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.
3o3p MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Rubrobacter
xylanophilus) 		PF00535
(Glycos_transf_2) 		5 GLY A 226
ASP A 117
ALA A 112
GLY A 114
VAL A 323
 None
None
None
GDD  A 340 (-3.2A)
None
 1.21A 4c5lB-3o3pA:
undetectable		 4c5lB-3o3pA:
22.03
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.
3o47 ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1,
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		PF00025
(Arf)
PF01412
(ArfGap) 		5 GLY A  38
GLY A  79
VAL A  33
MET A  75
VAL A  13
 None
 1.41A 4c5lB-3o47A:
undetectable		 4c5lB-3o47A:
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.
3q54 OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Escherichia
coli) 		PF13360
(PQQ_2) 		5 GLY A 344
ASP A 363
ALA A 382
GLY A 366
VAL A 362
 None
 1.29A 4c5lB-3q54A:
undetectable		 4c5lB-3q54A:
24.87
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		5 ALA A  38
VAL A  69
VAL A 128
HIS A 239
CYH A 243
 None
None
SO4  A   1 (-3.5A)
None
None
 1.05A 4c5lB-3rm5A:
32.6		 4c5lB-3rm5A:
22.94
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		8 GLY A  31
ASP A  33
ALA A  38
GLY A  39
MET A 100
VAL A 128
HIS A 239
CYH A 243
 None
None
None
None
None
SO4  A   1 (-3.5A)
None
None
 0.38A 4c5lB-3rm5A:
32.6		 4c5lB-3rm5A:
22.94
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 GLY A 435
ALA A 442
GLY A 439
VAL A 340
VAL A 263
 None
 1.43A 4c5lB-3rreA:
18.1		 4c5lB-3rreA:
20.32
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 ASP A 196
GLY A 201
VAL A 195
VAL A 122
CYH A 203
 None
 1.09A 4c5lB-3sghA:
undetectable		 4c5lB-3sghA:
20.27
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 GLY A 546
ALA A 461
GLY A 459
VAL A 491
HIS A 433
 None
ZN  A 595 ( 4.2A)
None
None
ZN  A 595 (-3.3A)
 1.12A 4c5lB-3u24A:
undetectable		 4c5lB-3u24A:
18.65
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.
3un9 NLR FAMILY MEMBER X1

(Homo sapiens) 		PF13516
(LRR_6) 		5 GLY A 823
ASP A 821
ALA A 847
GLY A 820
VAL A 842
 None
 1.16A 4c5lB-3un9A:
undetectable		 4c5lB-3un9A:
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.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		5 ASP A  58
ALA A 120
GLY A 116
VAL A 109
HIS A  73
 None
 1.38A 4c5lB-3wh9A:
3.2		 4c5lB-3wh9A:
24.10
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 GLY A  84
ASP A  81
GLY A  48
VAL A  75
HIS A 199
 None
ZN  A1000 (-2.8A)
None
None
ZN  A1000 (-3.3A)
 1.20A 4c5lB-4ad9A:
undetectable		 4c5lB-4ad9A:
23.71
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.
4bf5 ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 399
ASP A  76
ALA A  77
GLY A  79
VAL A  46
 None
 1.06A 4c5lB-4bf5A:
undetectable		 4c5lB-4bf5A:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE

(Staphylococcus
aureus) 		PF08543
(Phos_pyr_kin) 		5 GLY A  11
ALA A  22
GLY A  19
HIS A 260
CYH A 214
 PXL  A 300 (-3.9A)
None
PXL  A 300 (-3.6A)
None
PXL  A 300 ( 2.9A)
 1.38A 4c5lB-4c5nA:
48.2		 4c5lB-4c5nA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE

(Staphylococcus
aureus) 		PF08543
(Phos_pyr_kin) 		9 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
MET A  80
VAL A 107
HIS A 210
CYH A 214
 PXL  A 300 (-3.9A)
PXL  A 300 (-4.3A)
PXL  A 300 ( 4.0A)
PXL  A 300 (-3.6A)
PXL  A 300 ( 4.5A)
PXL  A 300 ( 4.2A)
None
ACP  A 500 (-4.3A)
PXL  A 300 ( 2.9A)
 0.17A 4c5lB-4c5nA:
48.2		 4c5lB-4c5nA:
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.
4czt CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 23

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 GLY A 113
ASP A 163
ALA A 167
GLY A 166
VAL A 111
 CPS  A1316 (-3.9A)
SO4  A1318 (-4.6A)
None
None
SO4  A1318 (-3.8A)
 1.16A 4c5lB-4cztA:
undetectable		 4c5lB-4cztA:
21.02
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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 400
ASP A  77
ALA A  78
GLY A  80
VAL A  48
 None
 1.02A 4c5lB-4dyjA:
2.3		 4c5lB-4dyjA:
24.63
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 373
ASP A 378
ALA A 381
GLY A 371
VAL A 366
 None
 1.25A 4c5lB-4e1jA:
undetectable		 4c5lB-4e1jA:
20.81
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 GLY A 362
ALA A 368
GLY A 366
HIS A 280
CYH A 369
 None
 1.10A 4c5lB-4efcA:
undetectable		 4c5lB-4efcA:
18.38
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.
4fin ETTA (YJJK) ABCF
FAMILY PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF12848
(ABC_tran_Xtn) 		5 ALA A 350
GLY A 349
VAL A 323
HIS A 510
CYH A 493
 None
 0.84A 4c5lB-4finA:
undetectable		 4c5lB-4finA:
20.71
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.
4fk1 PUTATIVE THIOREDOXIN
REDUCTASE

(Bacillus
anthracis) 		PF07992
(Pyr_redox_2) 		5 GLY C  15
ALA C 288
GLY C 285
VAL C   8
VAL C  21
 None
 1.26A 4c5lB-4fk1C:
2.1		 4c5lB-4fk1C:
21.49
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.
4gbj 6-PHOSPHOGLUCONATE
DEHYDROGENASE
NAD-BINDING

(Dyadobacter
fermentans) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A  60
ALA A 113
GLY A  88
VAL A  62
HIS A 108
 None
 0.93A 4c5lB-4gbjA:
undetectable		 4c5lB-4gbjA:
22.19
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		5 GLY A 353
ASP A 328
GLY A 331
VAL A 367
HIS A 334
 None
 1.21A 4c5lB-4hdjA:
undetectable		 4c5lB-4hdjA:
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 GLY A 161
ALA A 116
GLY A 113
VAL A 165
VAL A 138
 None
 1.27A 4c5lB-4iheA:
undetectable		 4c5lB-4iheA:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		6 ASP A  15
ALA A  20
GLY A  21
MET A  82
VAL A 109
CYH A 213
 None
 0.98A 4c5lB-4jjpA:
29.1		 4c5lB-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		6 GLY A  13
ASP A  15
ALA A  20
GLY A  21
VAL A 109
CYH A 213
 None
 0.75A 4c5lB-4jjpA:
29.1		 4c5lB-4jjpA:
38.83
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.
4m9p FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		5 GLY A 583
ASP A 596
ALA A 595
GLY A 585
VAL A 645
 None
 1.05A 4c5lB-4m9pA:
undetectable		 4c5lB-4m9pA:
22.86
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.
4mgx FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		5 GLY A 578
ASP A 591
ALA A 590
GLY A 580
VAL A 640
 None
 1.05A 4c5lB-4mgxA:
undetectable		 4c5lB-4mgxA:
24.10
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 GLY A 120
ASP A 122
GLY A 155
VAL A 164
HIS A 193
 None
 1.48A 4c5lB-4o89A:
undetectable		 4c5lB-4o89A:
22.70
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.
4pk1 CHIMERA PROTEIN OF
OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTORS BAMA AND
BAMB

(Escherichia
coli) 		PF07244
(POTRA)
PF13360
(PQQ_2) 		5 GLY A1344
ASP A1363
ALA A1382
GLY A1366
VAL A1362
 None
 1.21A 4c5lB-4pk1A:
undetectable		 4c5lB-4pk1A:
18.72
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 GLY A 390
ALA A 240
GLY A 238
VAL A 394
HIS A 175
 None
 1.34A 4c5lB-4u98A:
undetectable		 4c5lB-4u98A:
20.00
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.
4ywr PUTATIVE
HYDROXYMETHYLPYRIMID
INE
KINASE/PHOSPHOMETHYL
PYRIMIDINE KINASE

(Acinetobacter
baumannii) 		PF08543
(Phos_pyr_kin) 		6 GLY A  18
ASP A  20
ALA A  25
GLY A  26
MET A  87
VAL A 114
 PLP  A 300 ( 4.1A)
PLP  A 300 ( 4.8A)
PLP  A 300 (-2.9A)
PLP  A 300 (-3.4A)
PLP  A 300 ( 3.7A)
PLP  A 300 ( 4.8A)
 0.27A 4c5lB-4ywrA:
25.9		 4c5lB-4ywrA:
29.97
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.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		5 ASP A 404
ALA A 392
GLY A 389
VAL A 405
VAL A 343
 None
 1.26A 4c5lB-4zpxA:
undetectable		 4c5lB-4zpxA:
21.46
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		5 GLY A 169
ALA A 164
GLY A 152
MET A 148
VAL A 367
 None
 1.31A 4c5lB-4zzpA:
undetectable		 4c5lB-4zzpA:
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.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		5 GLY A 169
ALA A 164
GLY A 152
MET A 148
VAL A 367
 None
 1.27A 4c5lB-4zzqA:
undetectable		 4c5lB-4zzqA:
19.82
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.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		5 GLY A 170
ALA A 165
GLY A 153
MET A 149
VAL A 365
 None
 1.28A 4c5lB-5ampA:
undetectable		 4c5lB-5ampA:
20.63
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.
5c5u PROLYL 4-HYDROXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF13640
(2OG-FeII_Oxy_3) 		5 GLY A 184
ASP A 187
ALA A 222
GLY A 223
HIS A 151
 None
None
None
UNX  A 302 ( 3.5A)
None
 0.97A 4c5lB-5c5uA:
undetectable		 4c5lB-5c5uA:
22.70
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.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 GLY A  36
ASP A  18
ALA A  20
GLY A  19
VAL A  15
 None
 1.20A 4c5lB-5fzpA:
undetectable		 4c5lB-5fzpA:
23.74
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		5 GLY A 101
ASP A  98
GLY A  64
VAL A  92
HIS A 269
 None
ZN  A 401 (-3.0A)
None
None
ZN  A 401 (-3.5A)
 1.19A 4c5lB-5i0pA:
undetectable		 4c5lB-5i0pA:
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 504
ASP A 516
ALA A 154
GLY A 155
VAL A 547
 None
 1.36A 4c5lB-5ju6A:
undetectable		 4c5lB-5ju6A:
15.70
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.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Chaetomium
thermophilum) 		PF01912
(eIF-6) 		5 GLY A  69
ALA A  64
GLY A  65
VAL A 135
CYH A 110
 None
 0.91A 4c5lB-5m3qA:
undetectable		 4c5lB-5m3qA:
23.91
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 609
ASP A 661
ALA A 614
GLY A 613
VAL A 420
 None
 1.28A 4c5lB-5v9xA:
undetectable		 4c5lB-5v9xA:
14.53
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.
5w7d ACYLOXYACYL
HYDROLASE

(Mus musculus) 		no annotation 5 GLY A 260
ALA A 263
GLY A 264
MET A 369
HIS A 529
 None
None
None
None
PX8  A 610 (-3.7A)
 1.16A 4c5lB-5w7dA:
undetectable		 4c5lB-5w7dA:
16.27
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.
5wou PROTEIN LAP4

(Drosophila
melanogaster) 		no annotation 5 GLY A  17
ASP A  48
ALA A  44
GLY A  45
VAL A  41
 None
 1.27A 4c5lB-5wouA:
undetectable		 4c5lB-5wouA:
15.58
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.
5wpw 11S GLOBULIN ISOFORM
1

(Cocos nucifera) 		no annotation 5 GLY A 252
ALA A 201
GLY A 202
VAL A 255
CYH A 246
 None
 1.23A 4c5lB-5wpwA:
undetectable		 4c5lB-5wpwA:
19.03
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.
6c33 5'-3' EXONUCLEASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 129
ALA A 124
VAL A 269
VAL A 142
CYH A  58
 None
MN  A 401 ( 4.9A)
None
None
None
 1.38A 4c5lB-6c33A:
undetectable		 4c5lB-6c33A:
12.68
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 5 ASP A 135
ALA A 134
GLY A 132
VAL A 128
VAL A 257
 None
 1.42A 4c5lB-6f72A:
undetectable		 4c5lB-6f72A:
15.56