SIMILAR PATTERNS OF AMINO ACIDS FOR 1ZZ1_B_SHHB2552

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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		7 HIS A 131
HIS A 132
ASP A 168
HIS A 170
PHE A 198
ASP A 258
PHE A 200
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
None
 1.46A 1zz1B-1c3rA:
42.1
1zz1C-1c3rA:
42.1		 1zz1B-1c3rA:
27.70
1zz1C-1c3rA:
27.70
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		9 HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 0.45A 1zz1B-1c3rA:
42.1
1zz1C-1c3rA:
42.1		 1zz1B-1c3rA:
27.70
1zz1C-1c3rA:
27.70
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 HIS A 131
HIS A 170
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-4.0A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 1.10A 1zz1B-1c3rA:
42.1
1zz1C-1c3rA:
42.1		 1zz1B-1c3rA:
27.70
1zz1C-1c3rA:
27.70
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 LEU A 103
HIS A  12
HIS A 211
ASP A 292
ASP A 293
 PRH  A 401 (-4.4A)
ZN  A 501 ( 3.3A)
ZN  A 501 ( 3.4A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 1.21A 1zz1B-1krmA:
undetectable
1zz1C-1krmA:
undetectable		 1zz1B-1krmA:
23.04
1zz1C-1krmA:
23.04
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.
1lrz FACTOR ESSENTIAL FOR
EXPRESSION OF
METHICILLIN
RESISTANCE

(Staphylococcus
aureus) 		PF02388
(FemAB) 		5 LEU A 105
ILE A 107
PHE A  90
GLY A  44
PHE A 140
 None
 1.08A 1zz1B-1lrzA:
undetectable
1zz1C-1lrzA:
undetectable		 1zz1B-1lrzA:
21.48
1zz1C-1lrzA:
21.48
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.
1mow CHIMERA OF HOMING
ENDONUCLEASE I-DMOI
AND DNA ENDONUCLEASE
I-CREI

(Chlamydomonas
reinhardtii;
Desulfurococcus
mucosus) 		PF00961
(LAGLIDADG_1)
PF14528
(LAGLIDADG_3) 		5 LEU A 110
PHE A 184
GLY A 162
TYR A 173
PHE A 106
 None
 0.96A 1zz1B-1mowA:
undetectable
1zz1C-1mowA:
undetectable		 1zz1B-1mowA:
18.83
1zz1C-1mowA:
18.83
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.
1o0x METHIONINE
AMINOPEPTIDASE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24) 		5 LEU A 136
ILE A 206
HIS A 181
HIS A 174
ASP A 100
 None
 1.07A 1zz1B-1o0xA:
undetectable
1zz1C-1o0xA:
undetectable		 1zz1B-1o0xA:
21.43
1zz1C-1o0xA:
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 LEU A  81
HIS A  55
HIS A 200
ASP A 279
GLY A 280
 None
NI  A9001 (-3.3A)
NI  A9001 (-3.4A)
NI  A9001 (-2.6A)
None
 1.23A 1zz1B-1p1mA:
undetectable
1zz1C-1p1mA:
undetectable		 1zz1B-1p1mA:
23.19
1zz1C-1p1mA:
23.19
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.
1ri6 PUTATIVE ISOMERASE
YBHE

(Escherichia
coli) 		PF10282
(Lactonase) 		5 ILE A  89
HIS A 237
ASP A 235
HIS A 182
GLY A 281
 None
 1.15A 1zz1B-1ri6A:
undetectable
1zz1C-1ri6A:
undetectable		 1zz1B-1ri6A:
21.98
1zz1C-1ri6A:
21.98
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 LEU A 340
ILE A 353
PHE A 556
GLY A 564
PHE A 385
 None
 1.01A 1zz1B-1rqgA:
undetectable
1zz1C-1rqgA:
undetectable		 1zz1B-1rqgA:
19.11
1zz1C-1rqgA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2v ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF04045
(P34-Arc) 		5 PHE D 165
ASP D 249
ASP D  39
TYR D 146
PHE D 125
 None
 1.18A 1zz1B-1u2vD:
undetectable
1zz1C-1u2vD:
undetectable		 1zz1B-1u2vD:
22.98
1zz1C-1u2vD:
22.98
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.
1wlh GELATION FACTOR

(Dictyostelium
discoideum) 		PF00630
(Filamin) 		5 LEU A 733
ILE A 738
ASP A 678
GLY A 681
PHE A 691
 None
 1.08A 1zz1B-1wlhA:
undetectable
1zz1C-1wlhA:
undetectable		 1zz1B-1wlhA:
23.32
1zz1C-1wlhA:
23.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
ASP A 180
HIS A 182
ASP A 268
GLY A 266
 3YP  A1452 (-3.3A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
None
 1.22A 1zz1B-1zz3A:
70.8
1zz1C-1zz3A:
71.1		 1zz1B-1zz3A:
100.00
1zz1C-1zz3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		11 LEU A  21
ILE A 100
HIS A 142
HIS A 143
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
GLY A 310
TYR A 312
 None
None
3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.8A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 0.43A 1zz1B-1zz3A:
70.8
1zz1C-1zz3A:
71.1		 1zz1B-1zz3A:
100.00
1zz1C-1zz3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		7 LEU A  21
ILE A 100
HIS A 182
PHE A 208
ASP A 268
GLY A 311
TYR A 312
 None
None
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
None
3YP  A1452 (-4.6A)
 1.18A 1zz1B-1zz3A:
70.8
1zz1C-1zz3A:
71.1		 1zz1B-1zz3A:
100.00
1zz1C-1zz3A:
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 LEU A 297
HIS A  55
HIS A  57
GLY A 213
PHE A 328
 None
CO  A1000 (-3.3A)
CO  A1000 (-3.2A)
None
None
 1.23A 1zz1B-2amxA:
undetectable
1zz1C-2amxA:
undetectable		 1zz1B-2amxA:
21.55
1zz1C-2amxA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dep THERMOSTABLE
CELLOXYLANASE

([Clostridium]
stercorarium) 		PF00331
(Glyco_hydro_10) 		5 LEU A  47
ILE A  57
PHE A  51
ASP A 328
PHE A 342
 None
 1.16A 1zz1B-2depA:
undetectable
1zz1C-2depA:
undetectable		 1zz1B-2depA:
22.22
1zz1C-2depA:
22.22
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.
2gaf POLY(A) POLYMERASE
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03296
(Pox_polyA_pol)
PF12629
(Pox_polyA_pol_C)
PF12630
(Pox_polyA_pol_N) 		5 LEU D 237
ILE D 234
HIS D 250
ASP D 202
ASP D 204
 None
 1.03A 1zz1B-2gafD:
undetectable
1zz1C-2gafD:
undetectable		 1zz1B-2gafD:
20.56
1zz1C-2gafD:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hxr HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CYNR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		5 LEU A 160
ILE A 145
PHE A 105
ASP A 112
PHE A 282
 None
 1.20A 1zz1B-2hxrA:
undetectable
1zz1C-2hxrA:
undetectable		 1zz1B-2hxrA:
22.02
1zz1C-2hxrA:
22.02
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.
2i7d 5'(3')-DEOXYRIBONUCL
EOTIDASE, CYTOSOLIC
TYPE

(Homo sapiens) 		PF06941
(NT5C) 		5 LEU A 102
HIS A 167
ASP A 145
PHE A  18
PHE A  71
 DUR  A 300 (-4.7A)
None
MG  A 728 (-2.6A)
DUR  A 300 (-3.6A)
None
 1.17A 1zz1B-2i7dA:
undetectable
1zz1C-2i7dA:
undetectable		 1zz1B-2i7dA:
20.42
1zz1C-2i7dA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jar 5'(3')-DEOXYRIBONUCL
EOTIDASE

(Mus musculus) 		PF06941
(NT5C) 		5 LEU A 104
HIS A 169
ASP A 147
PHE A  20
PHE A  73
 UMP  A1200 (-4.1A)
None
MG  A1201 (-2.6A)
UMP  A1200 (-4.2A)
None
 1.15A 1zz1B-2jarA:
undetectable
1zz1C-2jarA:
undetectable		 1zz1B-2jarA:
19.07
1zz1C-2jarA:
19.07
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.
2om6 PROBABLE
PHOSPHOSERINE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		5 LEU A 136
ILE A 145
HIS A 180
ASP A 188
GLY A 182
 None
 1.19A 1zz1B-2om6A:
undetectable
1zz1C-2om6A:
undetectable		 1zz1B-2om6A:
21.93
1zz1C-2om6A:
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.
2xut PROTON/PEPTIDE
SYMPORTER FAMILY
PROTEIN

(Shewanella
oneidensis) 		PF00854
(PTR2) 		5 LEU A  35
PHE A 181
HIS A  99
GLY A 182
PHE A  63
 None
 1.05A 1zz1B-2xutA:
undetectable
1zz1C-2xutA:
undetectable		 1zz1B-2xutA:
22.16
1zz1C-2xutA:
22.16
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 LEU A 224
HIS A 141
HIS A 140
PHE A 184
GLY A  25
 None
SAH  A 274 (-4.0A)
None
None
None
 1.19A 1zz1B-3busA:
3.5
1zz1C-3busA:
3.9		 1zz1B-3busA:
24.27
1zz1C-3busA:
24.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 669
HIS A 670
ASP A 707
ASP A 801
GLY A 799
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 ( 2.5A)
None
 1.16A 1zz1B-3c10A:
48.3
1zz1C-3c10A:
48.1		 1zz1B-3c10A:
33.57
1zz1C-3c10A:
33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
 0.41A 1zz1B-3c10A:
48.3
1zz1C-3c10A:
48.1		 1zz1B-3c10A:
33.57
1zz1C-3c10A:
33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
 TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
 1.19A 1zz1B-3c10A:
48.3
1zz1C-3c10A:
48.1		 1zz1B-3c10A:
33.57
1zz1C-3c10A:
33.57
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.
3c6c 3-KETO-5-AMINOHEXANO
ATE CLEAVAGE ENZYME

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		5 ILE A 124
HIS A  49
HIS A  47
ASP A 128
GLY A  86
 None
NI  A 298 (-3.5A)
NI  A 298 (-3.4A)
None
None
 1.00A 1zz1B-3c6cA:
undetectable
1zz1C-3c6cA:
undetectable		 1zz1B-3c6cA:
22.59
1zz1C-3c6cA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 LEU A 283
HIS A  42
HIS A  44
GLY A 199
PHE A 314
 None
ZN  A 371 (-3.3A)
MCF  A 372 ( 3.3A)
MCF  A 372 ( 3.9A)
None
 1.21A 1zz1B-3ewdA:
undetectable
1zz1C-3ewdA:
undetectable		 1zz1B-3ewdA:
22.25
1zz1C-3ewdA:
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.
3f9r PHOSPHOMANNOMUTASE

(Trypanosoma
brucei) 		PF03332
(PMM) 		5 LEU A   6
ILE A 202
ASP A 215
ASP A  10
GLY A 206
 None
 0.89A 1zz1B-3f9rA:
undetectable
1zz1C-3f9rA:
undetectable		 1zz1B-3f9rA:
22.07
1zz1C-3f9rA:
22.07
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.
3i6y ESTERASE APC40077

(Oleispira
antarctica) 		PF00756
(Esterase) 		5 LEU A 247
HIS A 273
HIS A 269
PHE A 272
GLY A 146
 None
 1.17A 1zz1B-3i6yA:
undetectable
1zz1C-3i6yA:
undetectable		 1zz1B-3i6yA:
21.78
1zz1C-3i6yA:
21.78
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus) 		PF00329
(Complex1_30kDa)
PF00346
(Complex1_49kDa) 		5 LEU 5 136
ILE 4  59
ASP 5 131
PHE 5 113
PHE 4 375
 None
 1.14A 1zz1B-3i9v5:
undetectable
1zz1C-3i9v5:
undetectable		 1zz1B-3i9v5:
19.95
1zz1C-3i9v5:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 LEU A  27
HIS A  59
ASP A 162
GLY A 161
TYR A 159
 None
ZN  A 453 (-3.6A)
ZN  A 452 ( 2.6A)
None
None
 1.17A 1zz1B-3ie1A:
undetectable
1zz1C-3ie1A:
undetectable		 1zz1B-3ie1A:
25.76
1zz1C-3ie1A:
25.76
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.
3ls2 S-FORMYLGLUTATHIONE
HYDROLASE

(Pseudoalteromonas
haloplanktis) 		PF00756
(Esterase) 		5 LEU A 248
HIS A 274
HIS A 270
PHE A 273
GLY A 145
 None
 1.14A 1zz1B-3ls2A:
undetectable
1zz1C-3ls2A:
undetectable		 1zz1B-3ls2A:
23.36
1zz1C-3ls2A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 145
HIS A 146
ASP A 181
ASP A 269
GLY A 267
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
 1.19A 1zz1B-3maxA:
44.8
1zz1C-3maxA:
44.6		 1zz1B-3maxA:
25.25
1zz1C-3maxA:
25.25
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
 0.49A 1zz1B-3maxA:
44.8
1zz1C-3maxA:
44.6		 1zz1B-3maxA:
25.25
1zz1C-3maxA:
25.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		8 HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
GLY A 318
TYR A 320
 SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 0.41A 1zz1B-3menA:
41.2
1zz1C-3menA:
41.0		 1zz1B-3menA:
33.08
1zz1C-3menA:
33.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 HIS A 157
HIS A 194
ASP A 281
GLY A 318
TYR A 320
 SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 1.16A 1zz1B-3menA:
41.2
1zz1C-3menA:
41.0		 1zz1B-3menA:
33.08
1zz1C-3menA:
33.08
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.
3mx9 PROTEIN SCV3V2(G19S)

(Chlamydomonas
reinhardtii) 		PF00961
(LAGLIDADG_1) 		5 LEU A 204
PHE A 278
GLY A 256
TYR A 267
PHE A 200
 None
 1.15A 1zz1B-3mx9A:
undetectable
1zz1C-3mx9A:
undetectable		 1zz1B-3mx9A:
20.73
1zz1C-3mx9A:
20.73
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.
3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		5 ILE A 119
HIS A  97
PHE A  41
GLY A 228
PHE A  45
 None
 1.18A 1zz1B-3oosA:
undetectable
1zz1C-3oosA:
2.1		 1zz1B-3oosA:
19.84
1zz1C-3oosA:
19.84
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		7 HIS A 158
ASP A 195
HIS A 197
PHE A 225
ASP A 284
GLY A 321
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
Q9C  A 401 (-3.8A)
ZN  A 343 (-2.7A)
Q9C  A 401 (-3.6A)
None
 0.38A 1zz1B-3q9cA:
42.3
1zz1C-3q9cA:
42.1		 1zz1B-3q9cA:
29.89
1zz1C-3q9cA:
29.89
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.
3qvm OLEI00960

(Oleispira
antarctica) 		PF00561
(Abhydrolase_1) 		6 LEU A 168
HIS A 104
HIS A 256
ASP A 228
GLY A 255
PHE A 205
 None
 1.38A 1zz1B-3qvmA:
undetectable
1zz1C-3qvmA:
undetectable		 1zz1B-3qvmA:
21.49
1zz1C-3qvmA:
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		6 ILE A  32
HIS A  56
HIS A  58
ASP A 145
HIS A 195
GLY A 144
 None
FE  A 443 (-3.6A)
None
FE  A 443 (-3.2A)
None
None
 1.46A 1zz1B-3r2uA:
undetectable
1zz1C-3r2uA:
undetectable		 1zz1B-3r2uA:
21.78
1zz1C-3r2uA:
21.78
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		5 LEU A 185
ILE A  73
HIS A  83
ASP A 189
GLY A  77
 None
None
SAH  A 258 (-3.4A)
SAH  A 258 ( 3.6A)
SAH  A 258 (-3.4A)
 1.19A 1zz1B-3tosA:
4.1
1zz1C-3tosA:
4.2		 1zz1B-3tosA:
22.25
1zz1C-3tosA:
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A   5
PHE A  46
ASP A  27
GLY A  24
PHE A  33
 None
 1.03A 1zz1B-3uw3A:
undetectable
1zz1C-3uw3A:
undetectable		 1zz1B-3uw3A:
24.41
1zz1C-3uw3A:
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.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10

(Thermoanaerobacterium
saccharolyticum) 		PF00331
(Glyco_hydro_10) 		5 LEU A   9
ILE A  19
PHE A  13
ASP A 277
PHE A 291
 None
 1.20A 1zz1B-3w25A:
undetectable
1zz1C-3w25A:
undetectable		 1zz1B-3w25A:
21.05
1zz1C-3w25A:
21.05
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
 0.51A 1zz1B-4a69A:
44.2
1zz1C-4a69A:
44.1		 1zz1B-4a69A:
26.42
1zz1C-4a69A:
26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
 ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
 1.01A 1zz1B-4a69A:
44.2
1zz1C-4a69A:
44.1		 1zz1B-4a69A:
26.42
1zz1C-4a69A:
26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
 0.50A 1zz1B-4bkxB:
43.9
1zz1C-4bkxB:
43.7		 1zz1B-4bkxB:
23.53
1zz1C-4bkxB:
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.16A 1zz1B-4bz7A:
40.8
1zz1C-4bz7A:
40.7		 1zz1B-4bz7A:
22.17
1zz1C-4bz7A:
22.17
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		9 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.50A 1zz1B-4bz7A:
40.8
1zz1C-4bz7A:
40.7		 1zz1B-4bz7A:
22.17
1zz1C-4bz7A:
22.17
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.08A 1zz1B-4bz7A:
40.8
1zz1C-4bz7A:
40.7		 1zz1B-4bz7A:
22.17
1zz1C-4bz7A:
22.17
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.07A 1zz1B-4bz7A:
40.8
1zz1C-4bz7A:
40.7		 1zz1B-4bz7A:
22.17
1zz1C-4bz7A:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		7 HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
 0.39A 1zz1B-4cbyA:
47.1
1zz1C-4cbyA:
47.2		 1zz1B-4cbyA:
32.83
1zz1C-4cbyA:
32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 HIS A 802
HIS A 803
PHE A 812
HIS A 842
PHE A 871
GLY A 974
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
KEE  A2033 (-3.6A)
 0.73A 1zz1B-4cbyA:
47.1
1zz1C-4cbyA:
47.2		 1zz1B-4cbyA:
32.83
1zz1C-4cbyA:
32.83
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.
4dix PLECTIN-RELATED
PROTEIN

(Arabidopsis
thaliana) 		PF16709
(SCAB-IgPH) 		5 LEU A 445
ILE A 457
ASP A 381
GLY A 407
PHE A 459
 None
 1.22A 1zz1B-4dixA:
undetectable
1zz1C-4dixA:
undetectable		 1zz1B-4dixA:
21.66
1zz1C-4dixA:
21.66
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.
4gnk 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 LEU B 160
ILE B 175
PHE B 179
PHE B 216
PHE B 208
 None
 1.22A 1zz1B-4gnkB:
undetectable
1zz1C-4gnkB:
undetectable		 1zz1B-4gnkB:
15.58
1zz1C-4gnkB:
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.
4jp6 PAPAYA BARWIN-LIKE
PROTEIN

(Carica papaya) 		PF00967
(Barwin) 		5 LEU A  65
ILE A  80
HIS A  56
GLY A  87
PHE A 117
 None
None
None
None
PCA  A   1 ( 4.2A)
 1.14A 1zz1B-4jp6A:
undetectable
1zz1C-4jp6A:
undetectable		 1zz1B-4jp6A:
15.80
1zz1C-4jp6A:
15.80
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.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC

(Mycobacterium
marinum) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 318
HIS A 376
PHE A 367
HIS A 374
ASP A 428
 None
 1.10A 1zz1B-4kamA:
undetectable
1zz1C-4kamA:
undetectable		 1zz1B-4kamA:
25.05
1zz1C-4kamA:
25.05
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 5 LEU A 177
HIS A 251
HIS A 254
GLY A  32
PHE A 169
 None
 1.22A 1zz1B-4l9aA:
undetectable
1zz1C-4l9aA:
undetectable		 1zz1B-4l9aA:
23.12
1zz1C-4l9aA:
23.12
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.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 HIS A 360
HIS A 329
ASP A 283
HIS A 362
TYR A 270
 None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
None
 1.22A 1zz1B-4qpbA:
undetectable
1zz1C-4qpbA:
undetectable		 1zz1B-4qpbA:
16.94
1zz1C-4qpbA:
16.94
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.
4raj HEME OXYGENASE

(Chlamydomonas
reinhardtii) 		PF01126
(Heme_oxygenase) 		5 ILE A 162
PHE A 163
ASP A  99
GLY A 170
TYR A 103
 None
 1.22A 1zz1B-4rajA:
undetectable
1zz1C-4rajA:
undetectable		 1zz1B-4rajA:
23.97
1zz1C-4rajA:
23.97
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.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		5 LEU A 373
ILE A 357
PHE A 345
GLY A 267
PHE A 363
 None
 1.20A 1zz1B-4rk2A:
undetectable
1zz1C-4rk2A:
undetectable		 1zz1B-4rk2A:
22.04
1zz1C-4rk2A:
22.04
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.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		5 ILE A  96
HIS A 149
ASP A 170
HIS A  76
GLY A 169
 None
FE  A 301 ( 3.5A)
FE  A 301 ( 3.1A)
None
None
 1.19A 1zz1B-4yslA:
undetectable
1zz1C-4yslA:
undetectable		 1zz1B-4yslA:
27.27
1zz1C-4yslA:
27.27
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		5 LEU A 417
ILE A 435
PHE A 379
GLY A 309
PHE A 437
 None
 1.08A 1zz1B-5b2dA:
undetectable
1zz1C-5b2dA:
undetectable		 1zz1B-5b2dA:
20.73
1zz1C-5b2dA:
20.73
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.
5b8i CALCINEURIN SUBUNIT
B, VARIANT
SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 LEU B  30
ILE A 386
PHE B  62
ASP B  71
PHE B  43
 None
 1.14A 1zz1B-5b8iB:
undetectable
1zz1C-5b8iB:
undetectable		 1zz1B-5b8iB:
18.45
1zz1C-5b8iB:
18.45
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.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 LEU A 142
HIS A 246
ASP A 217
GLY A 245
PHE A 194
 None
 1.21A 1zz1B-5dnwA:
undetectable
1zz1C-5dnwA:
undetectable		 1zz1B-5dnwA:
22.98
1zz1C-5dnwA:
22.98
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.
5e5r CONTACTIN-3

(Mus musculus) 		PF13927
(Ig_3) 		5 LEU B 282
ILE B 273
PHE B 269
ASP B 265
GLY B 266
 None
 1.15A 1zz1B-5e5rB:
undetectable
1zz1C-5e5rB:
undetectable		 1zz1B-5e5rB:
18.97
1zz1C-5e5rB:
18.97
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 394
ASP A 447
ASP A 443
GLY A 448
PHE A 479
 None
CA  A2002 (-2.4A)
CA  A2002 (-3.1A)
None
None
 0.99A 1zz1B-5e6sA:
undetectable
1zz1C-5e6sA:
undetectable		 1zz1B-5e6sA:
18.64
1zz1C-5e6sA:
18.64
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
 1.20A 1zz1B-5eduB:
49.6
1zz1C-5eduB:
49.4		 1zz1B-5eduB:
21.60
1zz1C-5eduB:
21.60
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 9 HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 0.41A 1zz1B-5eduB:
49.6
1zz1C-5eduB:
49.4		 1zz1B-5eduB:
21.60
1zz1C-5eduB:
21.60
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ILE B 569
HIS B 610
HIS B 611
ASP B 649
GLY B 780
 None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
TSN  B2501 ( 4.0A)
 1.11A 1zz1B-5eduB:
49.6
1zz1C-5eduB:
49.4		 1zz1B-5eduB:
21.60
1zz1C-5eduB:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 192
HIS A 193
ASP A 230
ASP A 323
GLY A 321
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 ( 2.7A)
None
 1.17A 1zz1B-5eefA:
49.9
1zz1C-5eefA:
50.0		 1zz1B-5eefA:
32.32
1zz1C-5eefA:
32.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		8 HIS A 192
HIS A 193
PHE A 202
ASP A 230
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 0.46A 1zz1B-5eefA:
49.9
1zz1C-5eefA:
50.0		 1zz1B-5eefA:
32.32
1zz1C-5eefA:
32.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 193
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 1.01A 1zz1B-5eefA:
49.9
1zz1C-5eefA:
50.0		 1zz1B-5eefA:
32.32
1zz1C-5eefA:
32.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 HIS B 573
HIS B 614
ASP B 705
GLY B 743
TYR B 745
 None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 1.10A 1zz1B-5efnB:
50.5
1zz1C-5efnB:
50.4		 1zz1B-5efnB:
33.16
1zz1C-5efnB:
33.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 8 HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
GLY B 743
TYR B 745
 None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 0.39A 1zz1B-5efnB:
50.5
1zz1C-5efnB:
50.4		 1zz1B-5efnB:
33.16
1zz1C-5efnB:
33.16
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 5 ILE A 133
HIS A 482
HIS A 528
ASP A 480
GLY A 499
 None
None
CU  A 602 (-3.0A)
None
None
 0.91A 1zz1B-5f75A:
undetectable
1zz1C-5f75A:
undetectable		 1zz1B-5f75A:
22.98
1zz1C-5f75A:
22.98
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 573
HIS A 574
ASP A 612
ASP A 705
GLY A 703
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
ZN  A1804 (-2.1A)
ZN  A1804 ( 2.5A)
None
 1.19A 1zz1B-5g0hA:
50.8
1zz1C-5g0hA:
50.6		 1zz1B-5g0hA:
20.11
1zz1C-5g0hA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		9 HIS A 573
HIS A 574
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
GLY A 743
TYR A 745
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 0.33A 1zz1B-5g0hA:
50.8
1zz1C-5g0hA:
50.6		 1zz1B-5g0hA:
20.11
1zz1C-5g0hA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 574
HIS A 614
ASP A 705
GLY A 743
TYR A 745
 E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 1.07A 1zz1B-5g0hA:
50.8
1zz1C-5g0hA:
50.6		 1zz1B-5g0hA:
20.11
1zz1C-5g0hA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 ILE A 532
HIS A 573
HIS A 574
ASP A 612
GLY A 743
 None
E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
ZN  A1804 (-2.1A)
ZN  A1804 ( 4.2A)
 1.15A 1zz1B-5g0hA:
50.8
1zz1C-5g0hA:
50.6		 1zz1B-5g0hA:
20.11
1zz1C-5g0hA:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		6 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.20A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		9 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.20A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 143
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.05A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		6 LEU A  23
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 None
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.15A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 LEU A  23
HIS A 144
HIS A 183
ASP A 269
TYR A 313
 None
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 1.06A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ILE A  14
HIS A 269
GLY A  77
TYR A  32
PHE A 274
 None
 1.09A 1zz1B-5gmsA:
undetectable
1zz1C-5gmsA:
undetectable		 1zz1B-5gmsA:
23.66
1zz1C-5gmsA:
23.66
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 5 LEU A  32
ASP A  42
PHE A  92
ASP A  38
GLY A  43
 None
 1.08A 1zz1B-5h2tA:
undetectable
1zz1C-5h2tA:
undetectable		 1zz1B-5h2tA:
21.38
1zz1C-5h2tA:
21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		8 HIS A 125
HIS A 126
PHE A 135
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
EDO  A 403 (-4.2A)
EDO  A 403 ( 3.8A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 0.39A 1zz1B-5ji5A:
47.3
1zz1C-5ji5A:
47.0		 1zz1B-5ji5A:
33.69
1zz1C-5ji5A:
33.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 HIS A 125
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 1.16A 1zz1B-5ji5A:
47.3
1zz1C-5ji5A:
47.0		 1zz1B-5ji5A:
33.69
1zz1C-5ji5A:
33.69
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.
5k9h 0940_GH29

(unidentified) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		5 LEU A 146
PHE A 161
ASP A 213
GLY A 212
TYR A 192
 None
None
NA  A 629 ( 4.9A)
NA  A 629 (-4.5A)
None
 1.07A 1zz1B-5k9hA:
undetectable
1zz1C-5k9hA:
undetectable		 1zz1B-5k9hA:
19.97
1zz1C-5k9hA:
19.97
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.
5nfb GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 ILE A 171
PHE A 192
ASP A 239
GLY A 238
PHE A 190
 None
 1.23A 1zz1B-5nfbA:
undetectable
1zz1C-5nfbA:
undetectable		 1zz1B-5nfbA:
18.78
1zz1C-5nfbA:
18.78
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.
5oex -

(-) 		no annotation 5 ILE A 133
HIS A 482
HIS A 528
ASP A 480
GLY A 499
 None
CU  A 604 (-3.2A)
CU  A 602 ( 3.0A)
None
None
 0.93A 1zz1B-5oexA:
undetectable
1zz1C-5oexA:
undetectable		 1zz1B-5oexA:
undetectable
1zz1C-5oexA:
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 136
HIS A 137
ASP A 174
HIS A 176
ASP A 267
GLY A 265
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
 1.18A 1zz1B-5td7A:
49.9
1zz1C-5td7A:
49.8		 1zz1B-5td7A:
22.94
1zz1C-5td7A:
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		7 HIS A 136
HIS A 137
PHE A 146
ASP A 174
HIS A 176
ASP A 267
GLY A 305
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
FKS  A 711 (-3.9A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
FKS  A 711 (-3.2A)
 0.31A 1zz1B-5td7A:
49.9
1zz1C-5td7A:
49.8		 1zz1B-5td7A:
22.94
1zz1C-5td7A:
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		5 ILE E 629
PHE E 625
ASP E 124
HIS E 126
GLY E  85
 None
 1.08A 1zz1B-5u8sE:
undetectable
1zz1C-5u8sE:
undetectable		 1zz1B-5u8sE:
19.72
1zz1C-5u8sE:
19.72
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 143
PHE A 152
ASP A 178
GLY A 303
 None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
 1.01A 1zz1B-5vi6A:
42.3
1zz1C-5vi6A:
42.3		 1zz1B-5vi6A:
26.91
1zz1C-5vi6A:
26.91
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
GLY A 304
TYR A 306
 None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 0.49A 1zz1B-5vi6A:
42.3
1zz1C-5vi6A:
42.3		 1zz1B-5vi6A:
26.91
1zz1C-5vi6A:
26.91
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
 None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 1.03A 1zz1B-5vi6A:
42.3
1zz1C-5vi6A:
42.3		 1zz1B-5vi6A:
26.91
1zz1C-5vi6A:
26.91