SIMILAR PATTERNS OF AMINO ACIDS FOR 1ZZ1_C_SHHC2652

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.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 LEU A 286
ILE A 288
HIS A 294
GLY A 263
GLY A 109
 None
 0.98A 1zz1C-1azwA:
undetectable		 1zz1C-1azwA:
22.89
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 HIS A 131
HIS A 132
GLY A 140
ASP A 168
GLY A 294
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.3A)
None
 0.95A 1zz1C-1c3rA:
42.1		 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
GLY A 140
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 ( 3.9A)
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)
 0.44A 1zz1C-1c3rA:
42.1		 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.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		5 GLY A 369
ASP A 241
PHE A  63
ASP A  25
GLY A  26
 None
ZN  A 408 (-2.5A)
None
ZN  A 408 (-2.2A)
ZN  A 408 ( 4.8A)
 1.03A 1zz1C-1ei6A:
undetectable		 1zz1C-1ei6A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ILE A 248
GLY A 250
ASP A  84
HIS A 252
GLY A 115
 None
None
ZN  A 601 (-2.7A)
ZN  A 601 ( 3.4A)
None
 1.08A 1zz1C-1hp1A:
undetectable		 1zz1C-1hp1A:
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 141
ILE A 433
GLY A 388
PHE A 419
ASP A 406
 None
 1.06A 1zz1C-1itzA:
undetectable		 1zz1C-1itzA:
20.18
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 LEU A 110
ILE A 143
HIS A 147
ASP A 255
GLY A 254
 None
None
ZN  A 402 (-3.5A)
ZN  A 401 ( 2.2A)
None
 0.96A 1zz1C-1p9eA:
undetectable		 1zz1C-1p9eA:
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.
1s8e EXONUCLEASE PUTATIVE

(Pyrococcus
furiosus) 		PF00149
(Metallophos) 		5 ILE A 190
HIS A 206
GLY A 175
ASP A  49
GLY A  48
 None
MN  A 401 (-3.5A)
None
MN  A 401 ( 2.7A)
None
 1.06A 1zz1C-1s8eA:
undetectable		 1zz1C-1s8eA:
20.10
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.
1sch PEANUT PEROXIDASE,
MAJOR CATIONIC
ISOZYME

(Arachis
hypogaea) 		PF00141
(peroxidase) 		5 LEU A  39
ASP A  81
ILE A  80
ASP A  57
GLY A  63
 None
 1.08A 1zz1C-1schA:
undetectable		 1zz1C-1schA:
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.
1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)

(Bos taurus) 		PF00080
(Sod_Cu) 		5 ILE A 110
HIS A  69
HIS A  61
GLY A  80
GLY A  71
 None
ZN  A 153 ( 3.2A)
ZN  A 153 ( 3.1A)
None
None
 1.12A 1zz1C-1sxzA:
undetectable		 1zz1C-1sxzA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		5 LEU A 190
GLY A 198
ASP A 210
GLY A 204
TYR A 213
 None
 1.13A 1zz1C-1tdkA:
undetectable		 1zz1C-1tdkA:
19.27
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
ILE A 219
HIS A  14
PHE A  13
GLY A 229
 LEU  A 152 ( 0.6A)
ILE  A 219 ( 0.7A)
HIS  A  14 ( 1.0A)
PHE  A  13 ( 1.3A)
GLY  A 229 ( 0.0A)
 0.97A 1zz1C-1wsvA:
undetectable		 1zz1C-1wsvA:
22.11
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.
1x2b PROLINE
IMINOPEPTIDASE

(Serratia
marcescens) 		PF00561
(Abhydrolase_1) 		5 LEU A 288
ILE A 290
HIS A 296
GLY A 265
GLY A 112
 None
None
STX  A 401 (-4.5A)
None
STX  A 401 (-4.8A)
 1.14A 1zz1C-1x2bA:
undetectable		 1zz1C-1x2bA:
24.10
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 ASP A  98
HIS A 182
GLY A 151
ASP A 268
GLY A 310
 None
ZN  A1451 (-3.3A)
3YP  A1452 (-3.4A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
 1.06A 1zz1C-1zz3A:
71.1		 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) 		5 HIS A 143
HIS A 182
ASP A 268
GLY A 310
TYR A 312
 3YP  A1452 (-3.4A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 1.04A 1zz1C-1zz3A:
71.1		 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) 		12 LEU A  21
ASP A  98
ILE A 100
HIS A 142
HIS A 143
GLY A 151
ASP A 180
HIS A 182
PHE A 208
ASP A 268
GLY A 310
TYR A 312
 None
None
None
3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.4A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 0.55A 1zz1C-1zz3A:
71.1		 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)
 1.19A 1zz1C-1zz3A:
71.1		 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.
2lkd TRANSLATION
INITIATION FACTOR
IF-2

(Geobacillus
stearothermophilus) 		PF00009
(GTP_EFTU) 		5 LEU A  24
ILE A  13
GLY A  15
ASP A  90
GLY A  91
 None
 1.12A 1zz1C-2lkdA:
undetectable		 1zz1C-2lkdA:
20.49
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.
2lle CHEMOTAXIS PROTEIN
CHEY, IMIDAZOLE
GLYCEROL PHOSPHATE
SYNTHASE SUBUNIT
HISF CHIMERA

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00977
(His_biosynth) 		5 LEU A 216
ILE A   4
GLY A   2
PHE A 193
GLY A 224
 None
 0.85A 1zz1C-2lleA:
undetectable		 1zz1C-2lleA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x9x CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		5 LEU A 478
ILE A 565
GLY A 567
ASP A 218
GLY A 217
 None
 1.15A 1zz1C-2x9xA:
undetectable		 1zz1C-2x9xA:
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.
2yjv REGULATOR OF
RIBONUCLEASE
ACTIVITY A

(Escherichia
coli) 		PF03737
(RraA-like) 		5 LEU A  61
ASP A 128
ILE A  37
ASP A  44
GLY A 123
 None
 1.13A 1zz1C-2yjvA:
undetectable		 1zz1C-2yjvA:
17.96
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ILE A 234
GLY A 236
ASP A  83
HIS A 238
GLY A 114
 None
None
ZN  A5648 (-2.7A)
ZN  A5648 ( 3.3A)
None
 1.04A 1zz1C-2z1aA:
undetectable		 1zz1C-2z1aA:
22.10
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.
3ajz ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		5 LEU A  11
ILE A  91
HIS A 110
GLY A 111
GLY A  33
 None
 1.07A 1zz1C-3ajzA:
undetectable		 1zz1C-3ajzA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 LEU A 332
GLY A  60
HIS A  78
ASP A 446
TYR A 440
 None
 1.13A 1zz1C-3b5qA:
undetectable		 1zz1C-3b5qA:
24.34
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 LEU A 180
ASP A 112
HIS A  64
GLY A 106
HIS A  62
 None
 1.09A 1zz1C-3be7A:
undetectable		 1zz1C-3be7A:
22.27
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 LEU A 966
ILE A 959
HIS A 627
HIS A 919
GLY A 554
 None
 1.14A 1zz1C-3bgaA:
undetectable		 1zz1C-3bgaA:
17.85
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) 		9 ASP A 624
HIS A 669
HIS A 670
GLY A 678
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
 None
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
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)
 0.71A 1zz1C-3c10A:
48.1		 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 ASP A 624
HIS A 709
GLY A 678
ASP A 801
GLY A 841
 None
ZN  A 101 (-3.1A)
TSN  A 301 ( 3.7A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
 1.12A 1zz1C-3c10A:
48.1		 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 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
 1.14A 1zz1C-3c10A:
48.1		 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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 368
ILE A 367
GLY A  30
ASP A 302
GLY A 330
 None
 0.95A 1zz1C-3d46A:
undetectable		 1zz1C-3d46A:
25.29
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		5 ASP A 443
HIS A 465
HIS A 277
ASP A  12
GLY A  13
 None
ZN  A 601 ( 3.2A)
ZN  A 601 (-3.2A)
ZN  A 602 (-2.2A)
None
 1.06A 1zz1C-3e2dA:
2.3		 1zz1C-3e2dA:
23.65
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ILE A  77
GLY A  38
ASP A 241
PHE A 165
ASP A  14
 None
None
DNB  A 502 ( 2.5A)
DNB  A 502 ( 4.3A)
DNB  A 502 (-2.9A)
 1.07A 1zz1C-3g5iA:
2.4		 1zz1C-3g5iA:
23.70
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		5 ILE A 820
HIS A 797
ASP A 855
ASP A 851
GLY A 856
 None
None
CA  A   1 (-2.8A)
CA  A   1 (-3.4A)
None
 1.08A 1zz1C-3hx6A:
undetectable		 1zz1C-3hx6A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 LEU A 554
ILE A 407
GLY A 405
HIS A 401
ASP A 382
 None
 1.10A 1zz1C-3kbhA:
undetectable		 1zz1C-3kbhA:
21.17
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.
3let ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE VOPS

(Vibrio
parahaemolyticus) 		PF02661
(Fic) 		5 ILE A 345
HIS A 321
GLY A 343
HIS A 339
GLY A 213
 None
 1.07A 1zz1C-3letA:
undetectable		 1zz1C-3letA:
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 145
HIS A 146
GLY A 154
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 (-3.6A)
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)
 0.57A 1zz1C-3maxA:
44.6		 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) 		7 ASP A 113
HIS A 156
GLY A 165
ASP A 192
ASP A 281
GLY A 318
TYR A 320
 None
SO4  A 401 (-3.6A)
SO4  A 401 (-4.9A)
ZN  A 400 (-2.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 0.88A 1zz1C-3menA:
41.0		 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) 		8 HIS A 156
HIS A 157
GLY A 165
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)
SO4  A 401 (-4.9A)
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)
 0.44A 1zz1C-3menA:
41.0		 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.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		5 LEU A 288
ILE A  63
HIS A 215
HIS A  22
GLY A 239
 None
None
ZN  A 334 ( 3.4A)
ZN  A 333 ( 3.3A)
None
 1.08A 1zz1C-3pnzA:
undetectable		 1zz1C-3pnzA:
22.49
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		8 HIS A 158
GLY A 167
ASP A 195
HIS A 197
PHE A 225
ASP A 284
GLY A 321
TYR A 323
 Q9C  A 401 (-4.2A)
Q9C  A 401 (-3.7A)
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
 0.42A 1zz1C-3q9cA:
42.1		 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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 LEU A 252
ILE A 445
ASP A 356
GLY A 586
TYR A 354
 None
 0.94A 1zz1C-3s5kA:
undetectable		 1zz1C-3s5kA:
12.97
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.
3t02 PHOSPHONOACETATE
HYDROLASE

(Sinorhizobium
meliloti) 		PF01663
(Phosphodiest) 		5 GLY A 378
ASP A 250
PHE A  67
ASP A  29
GLY A  30
 None
ZN  A 501 (-2.4A)
None
ZN  A 501 ( 2.2A)
ZN  A 501 ( 4.8A)
 1.11A 1zz1C-3t02A:
undetectable		 1zz1C-3t02A:
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 ASP A  20
HIS A 152
GLY A  59
HIS A 126
GLY A 154
 MN  A 412 (-3.1A)
None
None
None
None
 1.12A 1zz1C-3t1iA:
undetectable		 1zz1C-3t1iA:
22.57
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 LEU A 625
HIS A 527
GLY A 569
ASP A 549
GLY A 436
 None
 0.98A 1zz1C-3w5nA:
undetectable		 1zz1C-3w5nA:
16.57
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 ASP A 439
HIS A 461
HIS A 273
ASP A  12
GLY A  13
 None
ZN  A 504 ( 3.5A)
ZN  A 504 (-3.4A)
ZN  A 505 ( 2.1A)
None
 1.11A 1zz1C-3wbhA:
3.8		 1zz1C-3wbhA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		5 LEU A 622
ILE A 704
GLY A 223
ASP A 214
GLY A 210
 None
 0.98A 1zz1C-3wonA:
undetectable		 1zz1C-3wonA:
20.94
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 134
HIS A 135
GLY A 143
ASP A 170
GLY A 295
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
 0.89A 1zz1C-4a69A:
44.1		 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) 		9 HIS A 134
HIS A 135
GLY A 143
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)
 0.53A 1zz1C-4a69A:
44.1		 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)
 1.04A 1zz1C-4a69A:
44.1		 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) 		6 ASP B  99
HIS B 140
HIS B 141
GLY B 149
ASP B 176
GLY B 300
 None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
 1.15A 1zz1C-4bkxB:
43.7		 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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		7 ASP B  99
HIS B 140
HIS B 141
GLY B 149
ASP B 176
PHE B 205
GLY B 301
 None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
None
ACT  B 601 (-3.4A)
 1.16A 1zz1C-4bkxB:
43.7		 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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS B 140
HIS B 141
GLY B 149
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)
 0.58A 1zz1C-4bkxB:
43.7		 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
 1.13A 1zz1C-4bz7A:
40.7		 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 142
GLY A 150
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
None
 0.89A 1zz1C-4bz7A:
40.7		 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
GLY A 150
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)
GOL  A 800 ( 3.5A)
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)
 0.57A 1zz1C-4bz7A:
40.7		 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) 		8 HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
 0.45A 1zz1C-4cbyA:
47.2		 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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 LEU A 383
ILE A  37
HIS A   8
GLY A  28
GLY A 426
 None
 1.11A 1zz1C-4f0lA:
undetectable		 1zz1C-4f0lA:
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.
4m1q L-LACTATE
DEHYDROGENASE

([Bacillus]
selenitireducens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 240
ILE A 118
GLY A 144
HIS A 177
ASP A 150
 None
 0.84A 1zz1C-4m1qA:
undetectable		 1zz1C-4m1qA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		5 LEU A 275
ASP A  49
ILE A  46
GLY A  44
GLY A 268
 None
EDO  A 403 (-3.6A)
EDO  A 403 ( 4.3A)
EDO  A 403 (-3.2A)
None
 1.12A 1zz1C-4oqfA:
4.8		 1zz1C-4oqfA:
24.76
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.
4qqr 3,5-EPIMERASE/4-REDU
CTASE

(Arabidopsis
thaliana) 		PF04321
(RmlD_sub_bind) 		5 LEU A  97
ASP A  55
ILE A  52
GLY A  42
GLY A  25
 None
 1.09A 1zz1C-4qqrA:
2.9		 1zz1C-4qqrA:
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.
4zrq CD320 ANTIGEN
TRANSCOBALAMIN-2

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		5 LEU A  94
HIS A 104
GLY A 106
ASP C  75
ASP C  79
 None
None
None
CA  C 202 (-3.2A)
CA  C 202 (-3.3A)
 1.02A 1zz1C-4zrqA:
undetectable		 1zz1C-4zrqA:
23.84
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ILE A 115
HIS A 151
GLY A  85
ASP A 173
GLY A 172
 None
ZN  A1458 (-3.6A)
None
ZN  A1457 ( 2.7A)
None
 1.02A 1zz1C-5a0tA:
2.5		 1zz1C-5a0tA:
22.57
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		6 LEU A 405
ASP A 427
HIS A  89
GLY A  26
ASP A 173
GLY A 172
 None
None
ZN  A1457 (-3.5A)
None
ZN  A1457 ( 2.7A)
None
 1.31A 1zz1C-5a0tA:
2.5		 1zz1C-5a0tA:
22.57
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.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		5 LEU A  33
GLY A  28
ASP A 134
GLY A 297
TYR A 132
 None
None
T6T  A 501 (-1.9A)
T6T  A 501 (-3.4A)
T6T  A 501 (-4.4A)
 1.09A 1zz1C-5ci5A:
undetectable		 1zz1C-5ci5A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3q DYNAMIN-1,DYNAMIN-1

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 LEU A 181
ILE A 204
GLY A 202
ASP A 194
GLY A 197
 None
 1.01A 1zz1C-5d3qA:
undetectable		 1zz1C-5d3qA:
20.61
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 7 ASP B 567
HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 780
TYR B 782
 None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 1.05A 1zz1C-5eduB:
49.4		 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
GLY B 619
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 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 0.45A 1zz1C-5eduB:
49.4		 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 ILE B 569
HIS B 610
HIS B 611
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
 None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 1.16A 1zz1C-5eduB:
49.4		 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) 		7 ASP A 149
HIS A 192
HIS A 193
ASP A 230
ASP A 323
GLY A 361
TYR A 363
 None
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 1.12A 1zz1C-5eefA:
50.0		 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 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
 1.15A 1zz1C-5eefA:
50.0		 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
GLY A 201
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 ( 3.8A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 0.37A 1zz1C-5eefA:
50.0		 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)
 1.00A 1zz1C-5eefA:
50.0		 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 9 ILE B 532
HIS B 573
GLY B 582
ASP B 612
HIS B 614
PHE B 643
ASP B 705
GLY B 743
TYR B 745
 None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 1.42A 1zz1C-5efnB:
50.4		 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 5 ILE B 532
HIS B 614
GLY B 582
ASP B 705
GLY B 743
 None
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
 1.09A 1zz1C-5efnB:
50.4		 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.
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)
 1.06A 1zz1C-5g0hA:
50.6		 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) 		10 ILE A 532
HIS A 573
HIS A 574
GLY A 582
ASP A 612
HIS A 614
PHE A 643
ASP A 705
GLY A 743
TYR A 745
 None
E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.6A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 1.37A 1zz1C-5g0hA:
50.6		 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 614
GLY A 582
ASP A 705
GLY A 743
 None
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
 1.09A 1zz1C-5g0hA:
50.6		 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) 		7 HIS A 143
HIS A 144
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
 1.24A 1zz1C-5g10A:
57.1		 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
GLY A 152
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 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.26A 1zz1C-5g10A:
57.1		 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)
 1.20A 1zz1C-5g10A:
57.1		 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)
 1.10A 1zz1C-5g10A:
57.1		 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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 LEU A  77
ILE A 110
HIS A 114
ASP A 221
GLY A 220
 None
None
ZN  A 402 (-3.4A)
ZN  A 401 ( 2.4A)
None
 0.96A 1zz1C-5hifA:
undetectable		 1zz1C-5hifA:
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.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		5 ASP A 135
ILE A 137
GLY A 139
GLY A 249
TYR A 222
 None
 1.12A 1zz1C-5hsgA:
undetectable		 1zz1C-5hsgA:
21.20
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 ASP A  81
GLY A 134
HIS A 125
ASP A 163
GLY A 286
 None
EDO  A 403 (-3.6A)
None
ZN  A 401 ( 2.2A)
ZN  A 401 ( 4.2A)
 1.04A 1zz1C-5ji5A:
47.0		 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) 		9 ASP A  81
HIS A 125
HIS A 126
GLY A 134
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
None
EDO  A 403 (-4.2A)
EDO  A 403 (-3.6A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 0.58A 1zz1C-5ji5A:
47.0		 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 ASP A  81
HIS A 165
GLY A 134
ASP A 244
GLY A 286
 None
ZN  A 401 (-3.1A)
EDO  A 403 (-3.6A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
 1.10A 1zz1C-5ji5A:
47.0		 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.
5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Flavobacterium
psychrophilum) 		PF10459
(Peptidase_S46) 		5 LEU A 611
ILE A 691
GLY A 218
ASP A 209
GLY A 205
 None
 0.91A 1zz1C-5jxfA:
undetectable		 1zz1C-5jxfA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 663
HIS A 621
GLY A 668
ASP A 626
GLY A 627
 None
 1.11A 1zz1C-5k6oA:
2.4		 1zz1C-5k6oA:
18.29
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		5 ASP A  70
HIS A  15
GLY A  49
GLY A  18
TYR A  25
 SAH  A 301 (-2.8A)
None
SAH  A 301 (-3.3A)
None
SAH  A 301 (-4.5A)
 1.08A 1zz1C-5m58A:
undetectable		 1zz1C-5m58A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		5 ASP A  70
HIS A  15
GLY A  49
GLY A  18
TYR A  25
 SAH  A 301 (-2.8A)
None
SAH  A 301 (-3.4A)
None
SAH  A 301 (-4.5A)
 1.09A 1zz1C-5mgzA:
2.9		 1zz1C-5mgzA:
21.95
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.
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
 1.17A 1zz1C-5td7A:
49.8		 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
GLY A 145
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 (-4.5A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
FKS  A 711 (-3.2A)
 0.37A 1zz1C-5td7A:
49.8		 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.
5uem 354NC37 FAB HEAVY
CHAIN
354NC37 FAB LIGHT
CHAIN

(Homo sapiens) 		no annotation 5 LEU L  28
ILE L   2
HIS H  35
ASP H  95
GLY H 100
 None
 1.12A 1zz1C-5uemL:
undetectable		 1zz1C-5uemL:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 143
GLY A 151
ASP A 178
GLY A 303
 None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
ZN  A 401 ( 2.3A)
None
 0.83A 1zz1C-5vi6A:
42.3		 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
GLY A 151
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 410 ( 4.8A)
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)
 0.52A 1zz1C-5vi6A:
42.3		 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)
 1.06A 1zz1C-5vi6A:
42.3		 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.
5vip MDCE

(Pseudomonas
aeruginosa) 		PF06833
(MdcE) 		5 LEU A 135
ILE A  94
GLY A   9
ASP A 160
GLY A 162
 None
 1.07A 1zz1C-5vipA:
undetectable		 1zz1C-5vipA:
23.98
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.
5wcd VRC315 04-1D02 FAB
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H  78
ASP H  73
GLY H  30
ASP H  98
GLY H  99
 None
 1.14A 1zz1C-5wcdH:
undetectable		 1zz1C-5wcdH:
20.84
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 ILE A 204
HIS A 224
GLY A 202
PHE A 238
GLY A 271
 None
 1.10A 1zz1C-5xqoA:
undetectable		 1zz1C-5xqoA:
16.97
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.
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C

(Homo sapiens) 		no annotation 5 LEU C 377
ILE C 384
GLY C 386
PHE C 284
GLY C 480
 None
 1.10A 1zz1C-5yh3C:
undetectable		 1zz1C-5yh3C:
11.96