SIMILAR PATTERNS OF AMINO ACIDS FOR 3ZMD_A_SALA201

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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		4 LEU A 234
ARG A 218
TYR A 178
GLU A 179
 None
 1.26A 3zmdA-1h79A:
undetectable
3zmdB-1h79A:
0.0		 3zmdA-1h79A:
14.07
3zmdB-1h79A:
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.
1jad PHOSPHOLIPASE C BETA

(Meleagris
gallopavo) 		PF06631
(DUF1154)
PF08703
(PLC-beta_C) 		4 LEU A  84
MET A 234
TYR A 238
GLU A  81
 None
 1.29A 3zmdA-1jadA:
1.3
3zmdB-1jadA:
1.2		 3zmdA-1jadA:
19.29
3zmdB-1jadA:
19.29
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.
1jra ERV2 PROTEIN,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF04777
(Evr1_Alr) 		4 TRP A  19
ARG A  16
TYR A 107
HIS A  23
 FAD  A 335 (-3.3A)
FAD  A 335 (-2.9A)
FAD  A 335 (-4.8A)
FAD  A 335 (-3.4A)
 1.37A 3zmdA-1jraA:
undetectable
3zmdB-1jraA:
undetectable		 3zmdA-1jraA:
20.57
3zmdB-1jraA:
20.57
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.
1mw9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 LEU X  86
TYR X  83
GLU X  84
HIS X 122
 None
 1.37A 3zmdA-1mw9X:
6.0
3zmdB-1mw9X:
6.3		 3zmdA-1mw9X:
16.02
3zmdB-1mw9X:
16.02
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.
1n71 AAC(6')-II

(Enterococcus
faecium) 		PF00583
(Acetyltransf_1) 		4 ARG A  22
LEU A  21
MET A  40
GLU A  36
 None
 1.08A 3zmdA-1n71A:
undetectable
3zmdB-1n71A:
undetectable		 3zmdA-1n71A:
23.44
3zmdB-1n71A:
23.44
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.
1x9q 4M5.3
ANTI-FLUORESCEIN
SINGLE CHAIN
ANTIBODY FRAGMENT

(Homo sapiens) 		PF07686
(V-set) 		4 LEU A 155
MET A 185
TYR A 183
GLU A 257
 None
 1.13A 3zmdA-1x9qA:
undetectable
3zmdB-1x9qA:
undetectable		 3zmdA-1x9qA:
19.47
3zmdB-1x9qA:
19.47
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.
1xmx HYPOTHETICAL PROTEIN
VC1899

(Vibrio cholerae) 		PF09002
(DUF1887) 		4 TRP A 175
ARG A 174
LEU A 171
GLU A 225
 None
 1.37A 3zmdA-1xmxA:
2.7
3zmdB-1xmxA:
2.8		 3zmdA-1xmxA:
20.41
3zmdB-1xmxA:
20.41
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		4 ARG A  31
LEU A  30
MET A 311
TYR A 125
 None
 1.33A 3zmdA-1z7mA:
0.0
3zmdB-1z7mA:
0.0		 3zmdA-1z7mA:
19.65
3zmdB-1z7mA:
19.65
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 ARG A 280
TYR A 299
GLU A 301
HIS A 284
 None
 1.40A 3zmdA-2bi7A:
0.0
3zmdB-2bi7A:
undetectable		 3zmdA-2bi7A:
19.00
3zmdB-2bi7A:
19.00
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.
2c0y PROCATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 TRP A 285
LEU A  76
GLU A  72
HIS A  64
 None
 1.43A 3zmdA-2c0yA:
0.0
3zmdB-2c0yA:
0.0		 3zmdA-2c0yA:
19.18
3zmdB-2c0yA:
19.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cwo RNA SILENCING
SUPPRESSOR

(Beet yellows
virus) 		PF11479
(Suppressor_P21) 		4 LEU A 137
MET A 152
GLU A 150
HIS A  98
 None
 1.38A 3zmdA-2cwoA:
undetectable
3zmdB-2cwoA:
undetectable		 3zmdA-2cwoA:
33.64
3zmdB-2cwoA:
33.64
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TRP A 602
ARG A 717
TYR A 516
HIS A 600
 None
 1.48A 3zmdA-2d5lA:
undetectable
3zmdB-2d5lA:
undetectable		 3zmdA-2d5lA:
14.12
3zmdB-2d5lA:
14.12
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.
2dbf NUCLEAR FACTOR
NF-KAPPA-B P105
SUBUNIT

(Homo sapiens) 		PF00531
(Death) 		4 LEU A  12
MET A  60
TYR A  63
GLU A  64
 None
 0.83A 3zmdA-2dbfA:
undetectable
3zmdB-2dbfA:
undetectable		 3zmdA-2dbfA:
21.47
3zmdB-2dbfA:
21.47
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.
2dsj PYRIMIDINE-NUCLEOSID
E (THYMIDINE)
PHOSPHORYLASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 ARG A 331
LEU A 330
ARG A 404
GLU A 333
 None
 1.35A 3zmdA-2dsjA:
undetectable
3zmdB-2dsjA:
undetectable		 3zmdA-2dsjA:
17.18
3zmdB-2dsjA:
17.18
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.
2e5a LIPOYLTRANSFERASE 1

(Bos taurus) 		no annotation 4 ARG A 109
TYR A 209
GLU A 208
HIS A 213
 None
 1.46A 3zmdA-2e5aA:
undetectable
3zmdB-2e5aA:
undetectable		 3zmdA-2e5aA:
18.80
3zmdB-2e5aA:
18.80
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 TRP A 258
LEU A 307
MET A 275
TYR A 160
 None
 1.35A 3zmdA-2f3oA:
undetectable
3zmdB-2f3oA:
undetectable		 3zmdA-2f3oA:
10.75
3zmdB-2f3oA:
10.75
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.
2g9n EUKARYOTIC
INITIATION FACTOR
4A-I

(Homo sapiens) 		PF00270
(DEAD) 		4 ARG A 141
ARG A 161
TYR A 170
GLU A 143
 None
 1.43A 3zmdA-2g9nA:
undetectable
3zmdB-2g9nA:
undetectable		 3zmdA-2g9nA:
22.32
3zmdB-2g9nA:
22.32
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		4 ARG A 165
LEU A  80
TYR A 100
GLU A  89
 None
 1.27A 3zmdA-2grvA:
undetectable
3zmdB-2grvA:
undetectable		 3zmdA-2grvA:
14.82
3zmdB-2grvA:
14.82
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.
2l5y STROMAL INTERACTION
MOLECULE 2

(Homo sapiens) 		PF07647
(SAM_2) 		4 ARG A 127
LEU A 124
MET A  79
HIS A 113
 None
 1.50A 3zmdA-2l5yA:
undetectable
3zmdB-2l5yA:
undetectable		 3zmdA-2l5yA:
25.58
3zmdB-2l5yA:
25.58
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.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 LEU A 561
MET A 832
TYR A 836
HIS A 545
 None
 1.32A 3zmdA-2pi5A:
4.8
3zmdB-2pi5A:
5.4		 3zmdA-2pi5A:
13.03
3zmdB-2pi5A:
13.03
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.
2qlw RHAU

(Rhizobium
leguminosarum) 		PF05336
(rhaM) 		4 TRP A  78
TYR A  20
GLU A  19
HIS A  24
 None
 1.44A 3zmdA-2qlwA:
undetectable
3zmdB-2qlwA:
undetectable		 3zmdA-2qlwA:
26.23
3zmdB-2qlwA:
26.23
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.
2qlx L-RHAMNOSE
MUTAROTASE

(Rhizobium
leguminosarum) 		PF05336
(rhaM) 		4 TRP A  78
TYR A  20
GLU A  19
HIS A  24
 RM4  A 300 (-4.5A)
RM4  A 300 (-4.3A)
None
RM4  A 300 (-4.1A)
 1.43A 3zmdA-2qlxA:
undetectable
3zmdB-2qlxA:
undetectable		 3zmdA-2qlxA:
23.46
3zmdB-2qlxA:
23.46
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 148
LEU A 151
ARG A 155
GLU A 185
 None
 1.35A 3zmdA-2rdxA:
undetectable
3zmdB-2rdxA:
undetectable		 3zmdA-2rdxA:
18.16
3zmdB-2rdxA:
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.
2vpw NRFC PROTEIN

(Thermus
thermophilus) 		PF13247
(Fer4_11) 		4 ARG B 188
LEU B 186
ARG B  54
TYR B 102
 None
 1.43A 3zmdA-2vpwB:
undetectable
3zmdB-2vpwB:
undetectable		 3zmdA-2vpwB:
25.00
3zmdB-2vpwB:
25.00
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.
2vza CELL FILAMENTATION
PROTEIN

(Bartonella
henselae) 		PF02661
(Fic) 		4 LEU A 225
ARG A 224
GLU A 264
HIS A 281
 None
 1.36A 3zmdA-2vzaA:
undetectable
3zmdB-2vzaA:
undetectable		 3zmdA-2vzaA:
22.44
3zmdB-2vzaA:
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.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		4 ARG A 298
LEU A 278
ARG A 351
GLU A 281
 None
 1.23A 3zmdA-2w45A:
undetectable
3zmdB-2w45A:
undetectable		 3zmdA-2w45A:
14.29
3zmdB-2w45A:
14.29
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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		4 TRP A 281
LEU A 274
MET A 349
HIS A 346
 None
 1.46A 3zmdA-2xheA:
undetectable
3zmdB-2xheA:
undetectable		 3zmdA-2xheA:
16.73
3zmdB-2xheA:
16.73
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.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		4 TRP A 349
ARG A 350
LEU A 353
ARG A 357
 None
 0.67A 3zmdA-2xsbA:
undetectable
3zmdB-2xsbA:
undetectable		 3zmdA-2xsbA:
17.34
3zmdB-2xsbA:
17.34
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.
2y9y IMITATION SWITCH
PROTEIN 1
(DEL_ATPASE)
ISWI ONE COMPLEX
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF09110
(HAND)
PF09111
(SLIDE)
PF15612
(WHIM1) 		4 ARG A1044
ARG A1037
TYR B 411
HIS B 415
 None
 1.00A 3zmdA-2y9yA:
1.4
3zmdB-2y9yA:
1.4		 3zmdA-2y9yA:
20.27
3zmdB-2y9yA:
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		4 TRP A  80
ARG A 122
LEU A  76
GLU A  75
 None
 1.35A 3zmdA-2zieA:
undetectable
3zmdB-2zieA:
undetectable		 3zmdA-2zieA:
20.66
3zmdB-2zieA:
20.66
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		4 ARG A 537
LEU A 538
TYR A 593
GLU A 534
 None
 1.16A 3zmdA-2zj8A:
5.8
3zmdB-2zj8A:
6.0		 3zmdA-2zj8A:
14.16
3zmdB-2zj8A:
14.16
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.
2zwi ALPHA-/BETA-GALACTOS
IDE
ALPHA-2,3-SIALYLTRAN
SFERASE

(Photobacterium
phosphoreum) 		PF11477
(PM0188) 		4 LEU A 156
MET A 208
TYR A 206
GLU A 152
 None
None
None
GOL  A   5 ( 4.8A)
 1.02A 3zmdA-2zwiA:
undetectable
3zmdB-2zwiA:
undetectable		 3zmdA-2zwiA:
16.17
3zmdB-2zwiA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al2 DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF00533
(BRCT) 		4 ARG A1369
LEU A1372
ARG A1376
GLU A1476
 None
 1.47A 3zmdA-3al2A:
undetectable
3zmdB-3al2A:
undetectable		 3zmdA-3al2A:
24.08
3zmdB-3al2A:
24.08
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 ARG A 135
ARG A 142
TYR A 213
GLU A  67
 None
 1.25A 3zmdA-3aqpA:
0.9
3zmdB-3aqpA:
undetectable		 3zmdA-3aqpA:
12.89
3zmdB-3aqpA:
12.89
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 ARG A 135
LEU A 134
ARG A 142
GLU A  67
 None
 1.27A 3zmdA-3aqpA:
0.9
3zmdB-3aqpA:
undetectable		 3zmdA-3aqpA:
12.89
3zmdB-3aqpA:
12.89
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.
3bdz P450CIN

(Citrobacter
braakii) 		PF00067
(p450) 		4 ARG A 280
TYR A 282
GLU A 277
HIS A  28
 None
 1.44A 3zmdA-3bdzA:
undetectable
3zmdB-3bdzA:
undetectable		 3zmdA-3bdzA:
16.88
3zmdB-3bdzA:
16.88
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.
3bhg ADENYLOSUCCINATE
LYASE

(Legionella
pneumophila) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		4 LEU A 337
ARG A 335
GLU A 124
HIS A  91
 None
None
None
SO4  A 501 ( 3.7A)
 1.33A 3zmdA-3bhgA:
undetectable
3zmdB-3bhgA:
0.5		 3zmdA-3bhgA:
17.07
3zmdB-3bhgA:
17.07
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.
3bxh CENTRAL GLYCOLYTIC
GENE REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		4 LEU A 178
ARG A 251
TYR A 273
GLU A 269
 SCN  A   1 (-4.4A)
F6P  A 401 (-3.7A)
None
F6P  A 401 (-2.9A)
 1.33A 3zmdA-3bxhA:
undetectable
3zmdB-3bxhA:
undetectable		 3zmdA-3bxhA:
18.53
3zmdB-3bxhA:
18.53
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP X  25
ARG X  20
GLU X  15
HIS X 184
 None
 1.24A 3zmdA-3e3bX:
undetectable
3zmdB-3e3bX:
undetectable		 3zmdA-3e3bX:
20.96
3zmdB-3e3bX:
20.96
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.
3e4c CASPASE-1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 ARG A 371
TYR A 360
GLU A 368
HIS A 356
 None
 1.41A 3zmdA-3e4cA:
undetectable
3zmdB-3e4cA:
undetectable		 3zmdA-3e4cA:
22.48
3zmdB-3e4cA:
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.
3eeh PUTATIVE LIGHT AND
REDOX SENSING
HISTIDINE KINASE

(Haloarcula
marismortui) 		PF08447
(PAS_3) 		4 TRP A  45
ARG A  47
TYR A  96
GLU A  94
 None
 1.13A 3zmdA-3eehA:
undetectable
3zmdB-3eehA:
undetectable		 3zmdA-3eehA:
23.20
3zmdB-3eehA:
23.20
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.
3en8 UNCHARACTERIZED
NTF-2 LIKE PROTEIN

(Paraburkholderia
xenovorans) 		PF12680
(SnoaL_2) 		4 ARG A  47
LEU A  50
ARG A  54
GLU A  25
 None
 1.33A 3zmdA-3en8A:
undetectable
3zmdB-3en8A:
undetectable		 3zmdA-3en8A:
18.18
3zmdB-3en8A:
18.18
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.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A  73
LEU A  74
ARG A  70
GLU A 325
 EDO  A 351 (-3.6A)
None
None
None
 1.20A 3zmdA-3gp0A:
undetectable
3zmdB-3gp0A:
undetectable		 3zmdA-3gp0A:
18.61
3zmdB-3gp0A:
18.61
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		4 ARG A 292
LEU A 275
TYR A 211
GLU A 213
 None
 1.21A 3zmdA-3hm7A:
undetectable
3zmdB-3hm7A:
undetectable		 3zmdA-3hm7A:
16.44
3zmdB-3hm7A:
16.44
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ARG A3083
LEU A3298
ARG A3091
HIS A3333
 None
 1.18A 3zmdA-3hwcA:
undetectable
3zmdB-3hwcA:
undetectable		 3zmdA-3hwcA:
15.47
3zmdB-3hwcA:
15.47
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.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 ARG A 276
TYR A 199
GLU A 201
HIS A 478
 None
 1.34A 3zmdA-3ib3A:
undetectable
3zmdB-3ib3A:
undetectable		 3zmdA-3ib3A:
13.46
3zmdB-3ib3A:
13.46
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.
3j7y UL16

(Homo sapiens) 		PF00252
(Ribosomal_L16) 		4 ARG N 192
LEU N 195
ARG N 199
GLU N  81
 None
 1.19A 3zmdA-3j7yN:
undetectable
3zmdB-3j7yN:
undetectable		 3zmdA-3j7yN:
17.97
3zmdB-3j7yN:
17.97
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.
3ksp CALCIUM/CALMODULIN-D
EPENDENT KINASE II
ASSOCIATION DOMAIN

(Exiguobacterium
sibiricum) 		PF13474
(SnoaL_3) 		4 ARG A 103
LEU A 125
ARG A 101
GLU A  70
 None
 1.41A 3zmdA-3kspA:
undetectable
3zmdB-3kspA:
undetectable		 3zmdA-3kspA:
24.84
3zmdB-3kspA:
24.84
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.
3lq0 PROASTACIN

(Astacus astacus) 		PF01400
(Astacin) 		4 ARG A  32
MET A 147
GLU A 103
HIS A  96
 None
None
None
ZN  A 999 (-3.3A)
 1.41A 3zmdA-3lq0A:
undetectable
3zmdB-3lq0A:
undetectable		 3zmdA-3lq0A:
21.70
3zmdB-3lq0A:
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.
3m0e TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00158
(Sigma54_activat) 		4 ARG A 253
LEU A 252
ARG A 299
GLU A 256
 None
 1.47A 3zmdA-3m0eA:
undetectable
3zmdB-3m0eA:
undetectable		 3zmdA-3m0eA:
19.25
3zmdB-3m0eA:
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.
3pov ORF 37

(Human
gammaherpesvirus
8) 		PF01771
(Herpes_alk_exo) 		4 ARG A 319
LEU A 297
ARG A 370
GLU A 300
 None
 1.44A 3zmdA-3povA:
undetectable
3zmdB-3povA:
undetectable		 3zmdA-3povA:
14.61
3zmdB-3povA:
14.61
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.
3qp4 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF03472
(Autoind_bind) 		4 ARG A  62
LEU A  63
GLU A 146
HIS A 179
 None
 1.06A 3zmdA-3qp4A:
undetectable
3zmdB-3qp4A:
undetectable		 3zmdA-3qp4A:
24.62
3zmdB-3qp4A:
24.62
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		4 TRP A 372
ARG A 373
LEU A 376
GLU A 390
 None
 1.29A 3zmdA-3ubrA:
undetectable
3zmdB-3ubrA:
undetectable		 3zmdA-3ubrA:
16.89
3zmdB-3ubrA:
16.89
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.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ARG A 187
LEU A 166
ARG A 254
GLU A  91
 None
 1.12A 3zmdA-3ziuA:
undetectable
3zmdB-3ziuA:
undetectable		 3zmdA-3ziuA:
15.22
3zmdB-3ziuA:
15.22
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ARG A 476
ARG A 467
GLU A 460
HIS A1367
 None
 1.38A 3zmdA-4bedA:
undetectable
3zmdB-4bedA:
undetectable		 3zmdA-4bedA:
7.15
3zmdB-4bedA:
7.15
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 397
LEU A  55
ARG A  59
HIS A 388
 None
 1.25A 3zmdA-4dhgA:
undetectable
3zmdB-4dhgA:
undetectable		 3zmdA-4dhgA:
18.81
3zmdB-4dhgA:
18.81
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 ARG A 416
LEU A 413
TYR A 280
GLU A 412
 None
 1.23A 3zmdA-4dshA:
undetectable
3zmdB-4dshA:
undetectable		 3zmdA-4dshA:
15.02
3zmdB-4dshA:
15.02
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.
4hic TRAK

(Enterococcus
faecalis) 		no annotation 4 LEU A 107
TYR A 264
GLU A 265
HIS A 289
 None
 1.45A 3zmdA-4hicA:
undetectable
3zmdB-4hicA:
undetectable		 3zmdA-4hicA:
22.63
3zmdB-4hicA:
22.63
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.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		4 ARG A  33
LEU A  32
ARG A 441
MET A 444
 None
 1.44A 3zmdA-4ix2A:
undetectable
3zmdB-4ix2A:
undetectable		 3zmdA-4ix2A:
19.28
3zmdB-4ix2A:
19.28
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.
4jj6 ACETYL XYLAN
ESTERASE

(Geobacillus
stearothermophilus) 		PF13472
(Lipase_GDSL_2) 		4 ARG A  67
TYR A 109
GLU A 112
HIS A 107
 None
GOL  A 302 (-4.5A)
None
None
 1.42A 3zmdA-4jj6A:
undetectable
3zmdB-4jj6A:
undetectable		 3zmdA-4jj6A:
22.84
3zmdB-4jj6A:
22.84
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.
4ksa MALONYL-COA
DECARBOXYLASE

(Rhodopseudomonas
palustris) 		PF05292
(MCD)
PF17408
(MCD_N) 		4 LEU A 215
ARG A 214
TYR A 223
GLU A 239
 None
 1.38A 3zmdA-4ksaA:
undetectable
3zmdB-4ksaA:
undetectable		 3zmdA-4ksaA:
18.93
3zmdB-4ksaA:
18.93
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ARG A 339
TYR A 327
GLU A 329
HIS A 283
 None
GOL  A 606 (-4.8A)
None
GOL  A 606 (-3.8A)
 1.34A 3zmdA-4m8uA:
undetectable
3zmdB-4m8uA:
undetectable		 3zmdA-4m8uA:
12.94
3zmdB-4m8uA:
12.94
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.
4mla CYTOKININ OXIDASE 2

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		4 ARG A 362
LEU A 359
TYR A 159
HIS A 161
 None
None
FAD  A 601 (-4.0A)
None
 1.36A 3zmdA-4mlaA:
undetectable
3zmdB-4mlaA:
undetectable		 3zmdA-4mlaA:
16.17
3zmdB-4mlaA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1
WISKOTT-ALDRICH
SYNDROME PROTEIN
FAMILY MEMBER 1

(Homo sapiens) 		PF02205
(WH2)
PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 ARG A 624
LEU A 628
ARG A  87
TYR D 156
 None
 1.24A 3zmdA-4n78A:
1.4
3zmdB-4n78A:
1.2		 3zmdA-4n78A:
9.39
3zmdB-4n78A:
9.39
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1
WISKOTT-ALDRICH
SYNDROME PROTEIN
FAMILY MEMBER 1

(Homo sapiens) 		PF02205
(WH2)
PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 LEU A 628
ARG A  87
TYR D 156
GLU A 690
 None
 1.42A 3zmdA-4n78A:
1.4
3zmdB-4n78A:
1.2		 3zmdA-4n78A:
9.39
3zmdB-4n78A:
9.39
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.
4rgl FILAMENTATION
INDUCED BY CAMP
PROTEIN FIC

(Desulfovibrio
alaskensis) 		PF02661
(Fic) 		4 ARG A  44
ARG A  48
MET A  97
GLU A  95
 None
 1.45A 3zmdA-4rglA:
7.0
3zmdB-4rglA:
7.1		 3zmdA-4rglA:
19.88
3zmdB-4rglA:
19.88
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.
4rs1 GRANULOCYTE-MACROPHA
GE
COLONY-STIMULATING
FACTOR RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		4 ARG B 208
LEU B 215
ARG B 261
GLU B 259
 None
 1.47A 3zmdA-4rs1B:
undetectable
3zmdB-4rs1B:
undetectable		 3zmdA-4rs1B:
19.71
3zmdB-4rs1B:
19.71
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.
4tnu ASPARTOACYLASE

(Homo sapiens) 		PF04952
(AstE_AspA) 		4 ARG A  71
ARG A 168
TYR A 155
GLU A 129
 AS9  A 402 (-3.8A)
AS9  A 402 (-3.1A)
None
None
 1.23A 3zmdA-4tnuA:
undetectable
3zmdB-4tnuA:
undetectable		 3zmdA-4tnuA:
21.02
3zmdB-4tnuA:
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.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		4 TRP A 995
LEU A 437
ARG A 439
GLU A 434
 None
 1.50A 3zmdA-4u48A:
undetectable
3zmdB-4u48A:
undetectable		 3zmdA-4u48A:
8.38
3zmdB-4u48A:
8.38
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		4 ARG A  32
TYR A 116
GLU A 117
HIS A  84
 None
 1.39A 3zmdA-4v2iA:
undetectable
3zmdB-4v2iA:
undetectable		 3zmdA-4v2iA:
18.04
3zmdB-4v2iA:
18.04
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.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED

(Thermoanaerobacter
italicus) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 LEU A 191
TYR A 196
GLU A 194
HIS A 252
 None
None
SF4  A 501 ( 4.9A)
None
 1.29A 3zmdA-4wcxA:
undetectable
3zmdB-4wcxA:
undetectable		 3zmdA-4wcxA:
16.25
3zmdB-4wcxA:
16.25
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.
4yf6 BETA-CARBONIC
ANHYDRASE 1

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		4 ARG A 133
TYR A 120
GLU A 118
HIS A  87
 None
 1.43A 3zmdA-4yf6A:
undetectable
3zmdB-4yf6A:
undetectable		 3zmdA-4yf6A:
22.80
3zmdB-4yf6A:
22.80
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.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		4 TRP A 914
ARG A 923
GLU A 916
HIS A 911
 GOL  A1005 ( 4.8A)
None
None
GOL  A1005 ( 4.8A)
 1.26A 3zmdA-4zmhA:
undetectable
3zmdB-4zmhA:
undetectable		 3zmdA-4zmhA:
9.58
3zmdB-4zmhA:
9.58
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.
5a08 PROBABLE
MANNOSYLTRANSFERASE
KTR4

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 MET A 219
TYR A 215
GLU A 218
HIS A 236
 None
 1.26A 3zmdA-5a08A:
undetectable
3zmdB-5a08A:
undetectable		 3zmdA-5a08A:
17.10
3zmdB-5a08A:
17.10
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.
5cgz 4-OXALMESACONATE
HYDRATASE

(Pseudomonas
putida) 		PF02585
(PIG-L) 		4 LEU A 115
MET A  36
TYR A  34
HIS A  29
 None
None
GOL  A 309 (-4.2A)
None
 1.36A 3zmdA-5cgzA:
undetectable
3zmdB-5cgzA:
undetectable		 3zmdA-5cgzA:
24.05
3zmdB-5cgzA:
24.05
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.
5cs4 ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		4 ARG A1441
LEU A1443
TYR A1487
HIS A1384
 None
 1.00A 3zmdA-5cs4A:
undetectable
3zmdB-5cs4A:
undetectable		 3zmdA-5cs4A:
17.20
3zmdB-5cs4A:
17.20
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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		4 ARG A1441
LEU A1443
TYR A1487
HIS A1384
 None
 1.02A 3zmdA-5csaA:
undetectable
3zmdB-5csaA:
undetectable		 3zmdA-5csaA:
10.96
3zmdB-5csaA:
10.96
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 ARG A1441
LEU A1443
TYR A1487
HIS A1384
 None
 1.03A 3zmdA-5cslA:
undetectable
3zmdB-5cslA:
undetectable		 3zmdA-5cslA:
6.00
3zmdB-5cslA:
6.00
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		4 LEU A 503
MET A 216
TYR A 213
GLU A 212
 None
 1.13A 3zmdA-5fqeA:
undetectable
3zmdB-5fqeA:
undetectable		 3zmdA-5fqeA:
17.76
3zmdB-5fqeA:
17.76
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		4 TRP A1633
ARG A1628
LEU A1623
GLU A1598
 None
 1.49A 3zmdA-5h64A:
undetectable
3zmdB-5h64A:
undetectable		 3zmdA-5h64A:
5.43
3zmdB-5h64A:
5.43
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.
5hl8 TYPE II SECRETION
SYSTEM PROTEIN L

(Klebsiella
pneumoniae) 		PF12693
(GspL_C) 		4 ARG A 371
ARG A 373
GLU A 393
HIS A 315
 None
 1.41A 3zmdA-5hl8A:
undetectable
3zmdB-5hl8A:
undetectable		 3zmdA-5hl8A:
23.39
3zmdB-5hl8A:
23.39
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.
5i1u GERMACRADIEN-4-OL
SYNTHASE

(Streptomyces
citricolor) 		no annotation 4 ARG A 172
LEU A 171
TYR A 146
HIS A 150
 None
 1.27A 3zmdA-5i1uA:
undetectable
3zmdB-5i1uA:
undetectable		 3zmdA-5i1uA:
23.30
3zmdB-5i1uA:
23.30
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.
5i6v TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		4 ARG A 265
TYR A  80
GLU A  76
HIS A  84
 None
 1.36A 3zmdA-5i6vA:
undetectable
3zmdB-5i6vA:
undetectable		 3zmdA-5i6vA:
16.37
3zmdB-5i6vA:
16.37
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.
5i6v TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		4 LEU A 283
ARG A 265
TYR A  80
GLU A  76
 None
 1.03A 3zmdA-5i6vA:
undetectable
3zmdB-5i6vA:
undetectable		 3zmdA-5i6vA:
16.37
3zmdB-5i6vA:
16.37
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.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		4 TRP A  89
LEU A 125
MET A 131
GLU A 137
 None
 1.50A 3zmdA-5jgyA:
undetectable
3zmdB-5jgyA:
undetectable		 3zmdA-5jgyA:
20.80
3zmdB-5jgyA:
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.
5kk8 NUCLEOSIDE
DIPHOSPHATE KINASE

(Schistosoma
mansoni) 		PF00334
(NDK) 		4 LEU A 129
ARG A 125
TYR A  49
GLU A  50
 None
 1.40A 3zmdA-5kk8A:
undetectable
3zmdB-5kk8A:
undetectable		 3zmdA-5kk8A:
22.60
3zmdB-5kk8A:
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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		4 LEU A  90
ARG A  94
TYR A 135
GLU A  67
 None
 1.39A 3zmdA-5ltaA:
4.1
3zmdB-5ltaA:
4.3		 3zmdA-5ltaA:
13.24
3zmdB-5ltaA:
13.24
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.
5mji BRAMP DOMAIN PROTEIN

(Streptomyces
davaonensis) 		PF03358
(FMN_red) 		4 TRP A  72
LEU A  76
ARG A  80
GLU A 112
 None
 1.37A 3zmdA-5mjiA:
undetectable
3zmdB-5mjiA:
undetectable		 3zmdA-5mjiA:
21.79
3zmdB-5mjiA:
21.79
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.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 4 TRP B 103
MET B 413
TYR B 408
GLU B 411
 None
 1.24A 3zmdA-5n5nB:
undetectable
3zmdB-5n5nB:
undetectable		 3zmdA-5n5nB:
18.27
3zmdB-5n5nB:
18.27
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 LEU A 170
ARG A 174
TYR A 411
GLU A 408
 None
 1.45A 3zmdA-5nd1A:
undetectable
3zmdB-5nd1A:
undetectable		 3zmdA-5nd1A:
19.44
3zmdB-5nd1A:
19.44
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ARG A 632
LEU A 654
TYR A 649
GLU A 651
 None
 1.43A 3zmdA-5nd5A:
undetectable
3zmdB-5nd5A:
undetectable		 3zmdA-5nd5A:
15.87
3zmdB-5nd5A:
15.87
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 ARG A 256
ARG A 381
GLU A 355
HIS A 305
 TTP  A1601 (-3.2A)
None
None
None
 1.50A 3zmdA-5tusA:
undetectable
3zmdB-5tusA:
undetectable		 3zmdA-5tusA:
14.65
3zmdB-5tusA:
14.65
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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 TRP B 101
MET B 403
TYR B 398
GLU B 401
 None
 1.39A 3zmdA-5w3jB:
undetectable
3zmdB-5w3jB:
undetectable		 3zmdA-5w3jB:
17.67
3zmdB-5w3jB:
17.67
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.
5wml -

(-) 		no annotation 4 ARG A 297
LEU A 268
ARG A 234
HIS A 323
 None
 1.08A 3zmdA-5wmlA:
undetectable
3zmdB-5wmlA:
undetectable		 3zmdA-5wmlA:
undetectable
3zmdB-5wmlA:
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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY

(Mus musculus) 		PF00397
(WW)
PF00632
(HECT) 		4 ARG A 535
LEU A 534
ARG A 604
GLU A 724
 None
 1.31A 3zmdA-5xmcA:
undetectable
3zmdB-5xmcA:
undetectable		 3zmdA-5xmcA:
12.69
3zmdB-5xmcA:
12.69
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.
5zdm -

(-) 		no annotation 4 ARG A  20
ARG A 115
GLU A  23
HIS A 126
 GOL  A 303 (-3.7A)
None
None
None
 1.47A 3zmdA-5zdmA:
undetectable
3zmdB-5zdmA:
undetectable		 3zmdA-5zdmA:
undetectable
3zmdB-5zdmA:
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 4 TRP A 391
LEU A 414
ARG A 413
GLU A 384
 None
 1.22A 3zmdA-6cboA:
undetectable
3zmdB-6cboA:
undetectable		 3zmdA-6cboA:
20.79
3zmdB-6cboA:
20.79