SIMILAR PATTERNS OF AMINO ACIDS FOR 3C0Z_A_SHHA301_1

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) 		5 HIS A 131
HIS A 132
ASP A 168
HIS A 170
ASP A 258
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
 0.31A 3c0zA-1c3rA:
39.0		 3c0zA-1c3rA:
24.22
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 HIS A 375
ASP A 448
HIS A 452
ASP A 539
 None
None
CBS  A1001 (-4.2A)
CBS  A1001 (-3.9A)
 1.21A 3c0zA-1c7tA:
undetectable		 3c0zA-1c7tA:
19.61
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		4 HIS A 160
ASP A 148
HIS A 146
ASP A 144
 None
MN  A 350 (-2.5A)
MN  A 351 (-3.3A)
MN  A 350 ( 2.6A)
 1.26A 3c0zA-1gq7A:
11.0		 3c0zA-1gq7A:
22.69
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.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 HIS A  97
HIS A  98
ASP A 149
ASP A  12
 MN  A 402 ( 3.6A)
SO4  A 405 (-3.8A)
MN  A 402 ( 2.6A)
MN  A 401 ( 2.0A)
 1.08A 3c0zA-1i74A:
undetectable		 3c0zA-1i74A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 HIS A  98
ASP A  75
HIS A  97
ASP A  14
 SO4  A 405 (-3.8A)
MN  A 401 (-2.5A)
MN  A 402 ( 3.6A)
MN  A 402 (-3.3A)
 1.23A 3c0zA-1i74A:
undetectable		 3c0zA-1i74A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 HIS A 160
HIS A 161
ASP A 221
ASP A  82
 MN  A1434 (-3.4A)
MN  A1434 (-4.3A)
MN  A1434 (-2.7A)
MN  A1434 ( 4.4A)
 1.26A 3c0zA-1ir6A:
undetectable		 3c0zA-1ir6A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k20 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
gordonii) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 HIS A  99
HIS A 100
ASP A 151
ASP A  13
 MN  A 702 (-3.2A)
SO4  A 705 (-3.9A)
MN  A 702 (-2.8A)
MN  A 701 (-2.2A)
 1.03A 3c0zA-1k20A:
undetectable		 3c0zA-1k20A:
22.97
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		4 HIS A  12
HIS A 211
ASP A 292
ASP A 293
 ZN  A 501 ( 3.3A)
ZN  A 501 ( 3.4A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 1.16A 3c0zA-1krmA:
undetectable		 3c0zA-1krmA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lbu MURAMOYL-PENTAPEPTID
E CARBOXYPEPTIDASE

(Streptomyces
albus) 		PF01471
(PG_binding_1)
PF08291
(Peptidase_M15_3) 		4 HIS A 195
HIS A 192
ASP A 161
HIS A 197
 None
None
ZN  A 214 ( 2.3A)
ZN  A 214 ( 3.3A)
 0.94A 3c0zA-1lbuA:
undetectable		 3c0zA-1lbuA:
18.69
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 HIS A 237
ASP A 290
HIS A 294
ASP A 354
 None
None
IFG  A 557 ( 4.3A)
IFG  A 557 (-3.6A)
 1.19A 3c0zA-1nowA:
2.3		 3c0zA-1nowA:
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		4 HIS A 141
ASP A 128
HIS A 126
ASP A 124
 S2C  A 551 (-3.7A)
MN  A 501 ( 2.6A)
MN  A 500 ( 3.2A)
MN  A 500 (-2.6A)
 1.25A 3c0zA-1p8rA:
13.3		 3c0zA-1p8rA:
23.58
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		4 HIS A 291
HIS A 260
ASP A 214
HIS A 293
 None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
 0.89A 3c0zA-1qwyA:
undetectable		 3c0zA-1qwyA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		4 HIS A  15
HIS A 214
ASP A 295
ASP A 296
 ZN  A 400 (-3.4A)
ZN  A 400 ( 3.3A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 1.17A 3c0zA-1uioA:
undetectable		 3c0zA-1uioA:
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.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		4 HIS A  97
HIS A  98
ASP A 149
ASP A  13
 MN  A 602 (-3.4A)
None
MN  A 602 (-2.6A)
MN  A 601 (-2.1A)
 1.08A 3c0zA-1wpnA:
undetectable		 3c0zA-1wpnA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		4 HIS A 134
HIS A 189
HIS A 211
ASP A  63
 ZN  A 245 (-3.3A)
None
ZN  A 246 (-3.2A)
ZN  A 246 (-2.7A)
 1.17A 3c0zA-1zkpA:
undetectable		 3c0zA-1zkpA:
20.60
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
HIS A 143
ASP A 180
HIS A 182
ASP A 268
 3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
 0.25A 3c0zA-1zz3A:
48.3		 3c0zA-1zz3A:
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		4 HIS A 391
HIS A 659
ASP A 736
ASP A 737
 ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 1.17A 3c0zA-2a3lA:
undetectable		 3c0zA-2a3lA:
21.29
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		4 HIS A  55
HIS A 239
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.4A)
CO  A1000 (-2.7A)
None
 1.19A 3c0zA-2amxA:
undetectable		 3c0zA-2amxA:
20.76
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 HIS A 141
HIS A 248
HIS A 270
ASP A  68
 ZN  A 401 (-3.4A)
None
ZN  A 402 (-3.3A)
ZN  A 402 (-2.6A)
 1.19A 3c0zA-2cbnA:
undetectable		 3c0zA-2cbnA:
21.69
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		4 HIS A 139
ASP A 126
HIS A 124
ASP A 122
 None
MN  A 301 ( 2.6A)
MN  A 302 ( 3.2A)
MN  A 302 (-2.5A)
 1.24A 3c0zA-2cevA:
12.8		 3c0zA-2cevA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 HIS A 112
HIS A 117
ASP A 109
ASP A 196
 None
None
MG  A 506 (-2.9A)
MG  A 506 (-2.4A)
 1.09A 3c0zA-2dqbA:
undetectable		 3c0zA-2dqbA:
23.64
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.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		4 HIS A 134
HIS A 222
HIS A 244
ASP A  52
 ZN  A1302 (-3.7A)
None
ZN  A1301 (-3.1A)
ZN  A1301 (-3.2A)
 1.20A 3c0zA-2e7yA:
undetectable		 3c0zA-2e7yA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 HIS A  88
HIS A  89
ASP A 147
ASP A  11
 MN  A 502 (-3.6A)
None
MN  A 502 (-2.6A)
MN  A 501 (-2.5A)
 1.05A 3c0zA-2eb0A:
undetectable		 3c0zA-2eb0A:
21.08
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.
2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
agalactiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 HIS A 100
ASP A  77
HIS A  99
ASP A  15
 2PN  A1001 (-3.9A)
MN  A 401 (-2.3A)
MN  A 402 ( 3.7A)
MN  A 402 (-3.2A)
 1.21A 3c0zA-2enxA:
undetectable		 3c0zA-2enxA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 4 HIS I 204
ASP I 258
HIS I 262
ASP I 322
 None
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
 1.22A 3c0zA-2gk1I:
undetectable		 3c0zA-2gk1I:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B

(Homo sapiens) 		no annotation 4 HIS M 237
ASP M 290
HIS M 294
ASP N 354
 None
 1.17A 3c0zA-2gk1M:
undetectable		 3c0zA-2gk1M:
18.08
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.
2gu1 ZINC PEPTIDASE

(Vibrio cholerae) 		PF01551
(Peptidase_M23)
PF04225
(OapA) 		4 HIS A 311
HIS A 280
ASP A 236
HIS A 313
 None
None
ZN  A 362 (-2.1A)
ZN  A 362 (-3.1A)
 1.03A 3c0zA-2gu1A:
undetectable		 3c0zA-2gu1A:
23.78
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.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 HIS A  98
ASP A  75
HIS A  97
ASP A  15
 SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.24A 3c0zA-2hawA:
undetectable		 3c0zA-2hawA:
22.55
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.
2o6i HD DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF01966
(HD) 		4 HIS A 114
HIS A 129
ASP A 111
ASP A 183
 None
None
ZN  A 501 (-2.6A)
ZN  A 501 (-2.4A)
 1.15A 3c0zA-2o6iA:
undetectable		 3c0zA-2o6iA:
21.56
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.
2q14 PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01966
(HD) 		4 HIS A  99
HIS A 116
ASP A  96
ASP A 162
 None
 1.09A 3c0zA-2q14A:
undetectable		 3c0zA-2q14A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qb6 EXOPOLYPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 HIS A 149
ASP A 127
HIS A 148
ASP A  41
 SO4  A 501 (-4.2A)
MN  A 401 (-2.4A)
MN  A 401 ( 3.3A)
MN  A 401 (-3.1A)
 1.25A 3c0zA-2qb6A:
undetectable		 3c0zA-2qb6A:
22.58
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 HIS A 160
HIS A 161
ASP A 221
ASP A  82
 None
 1.11A 3c0zA-2zxoA:
undetectable		 3c0zA-2zxoA:
22.57
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
HIS A 709
ASP A 801
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
 0.08A 3c0zA-3c10A:
73.3		 3c0zA-3c10A:
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.
3csq MORPHOGENESIS
PROTEIN 1

(Bacillus virus
phi29) 		no annotation 4 HIS A 278
HIS A 247
ASP A 195
HIS A 280
 None
None
ZN  A 335 (-2.1A)
ZN  A 335 (-3.1A)
 0.90A 3c0zA-3csqA:
undetectable		 3c0zA-3csqA:
21.11
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.
3dev SH1221

(Staphylococcus
haemolyticus) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 HIS A 107
ASP A  83
HIS A 106
ASP A  29
 None
MG  A 323 (-2.7A)
MG  A 323 (-3.6A)
MG  A 323 (-3.5A)
 1.24A 3c0zA-3devA:
undetectable		 3c0zA-3devA:
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		4 HIS A  42
HIS A 225
ASP A 309
ASP A 310
 ZN  A 371 (-3.3A)
ZN  A 371 ( 3.4A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 1.18A 3c0zA-3ewdA:
undetectable		 3c0zA-3ewdA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A  99
HIS A 152
HIS A  97
ASP A  54
 CU  A 301 (-3.1A)
CU  A 301 (-3.2A)
None
None
 1.13A 3c0zA-3gdcA:
undetectable		 3c0zA-3gdcA:
20.23
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.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A 153
HIS A 208
ASP A 151
HIS A 150
 None
None
NA  A 501 (-2.0A)
None
 0.84A 3c0zA-3io1A:
undetectable		 3c0zA-3io1A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3it7 PROTEASE LASA

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		4 HIS A 120
HIS A  81
ASP A  36
HIS A 122
 TLA  A 300 (-3.9A)
TLA  A 300 (-4.2A)
ZN  A 183 ( 2.1A)
ZN  A 183 ( 3.0A)
 1.03A 3c0zA-3it7A:
undetectable		 3c0zA-3it7A:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		4 HIS A  86
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.17A 3c0zA-3lggA:
undetectable		 3c0zA-3lggA:
20.68
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 145
HIS A 146
ASP A 181
HIS A 183
ASP A 269
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
 0.21A 3c0zA-3maxA:
42.2		 3c0zA-3maxA:
25.35
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 156
HIS A 157
ASP A 192
HIS A 194
ASP A 281
 SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
 0.18A 3c0zA-3menA:
38.4		 3c0zA-3menA:
30.97
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.
3nip 3-GUANIDINOPROPIONAS
E

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		4 HIS A 165
ASP A 152
HIS A 150
ASP A 148
 None
 1.25A 3c0zA-3nipA:
11.2		 3c0zA-3nipA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyy PUTATIVE
GLYCYL-GLYCINE
ENDOPEPTIDASE LYTM

([Ruminococcus]
gnavus) 		PF01551
(Peptidase_M23) 		4 HIS A 243
HIS A 204
ASP A 156
HIS A 245
 None
 1.01A 3c0zA-3nyyA:
undetectable		 3c0zA-3nyyA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		4 HIS A 327
HIS A 326
ASP A 401
HIS A 471
 None
 0.99A 3c0zA-3ob8A:
undetectable		 3c0zA-3ob8A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		4 HIS A  16
HIS A 196
ASP A 277
ASP A 278
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.08A 3c0zA-3paoA:
undetectable		 3c0zA-3paoA:
23.41
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 HIS A 170
HIS A 219
HIS A 241
ASP A  90
 MN  A 301 ( 3.4A)
5GP  A 303 (-4.1A)
MN  A 300 ( 3.4A)
MN  A 300 ( 2.6A)
 1.15A 3c0zA-3py6A:
undetectable		 3c0zA-3py6A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		4 HIS A 158
ASP A 195
HIS A 197
ASP A 284
 Q9C  A 401 (-4.2A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
ZN  A 343 (-2.7A)
 0.16A 3c0zA-3q9cA:
39.4		 3c0zA-3q9cA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 HIS A 172
ASP A 242
HIS A 246
ASP A 312
 None
None
GOL  A 565 (-4.5A)
GOL  A 565 (-4.3A)
 1.25A 3c0zA-3rcnA:
undetectable		 3c0zA-3rcnA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		4 HIS A  19
HIS A 199
ASP A 280
ASP A 281
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 1.07A 3c0zA-3rysA:
undetectable		 3c0zA-3rysA:
21.00
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 4 HIS A 129
HIS A 494
ASP A 127
HIS A  78
 CUK  A 702 (-3.5A)
CUK  A 702 (-3.3A)
None
None
 1.02A 3c0zA-3sbqA:
undetectable		 3c0zA-3sbqA:
21.34
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.
3slu M23 PEPTIDASE DOMAIN
PROTEIN

(Neisseria
meningitidis) 		PF01551
(Peptidase_M23) 		4 HIS A 373
HIS A 343
ASP A 299
HIS A 375
 None
None
NI  A   1 (-2.5A)
NI  A   1 (-3.2A)
 0.99A 3c0zA-3sluA:
undetectable		 3c0zA-3sluA:
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.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Toxoplasma
gondii) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 HIS A 291
ASP A 318
HIS A  52
ASP A 241
 None
 1.24A 3c0zA-3sthA:
undetectable		 3c0zA-3sthA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 HIS A 196
ASP A 254
HIS A 258
ASP A 321
 None
None
OAN  A2000 (-4.0A)
OAN  A2000 (-4.0A)
 1.19A 3c0zA-3sutA:
undetectable		 3c0zA-3sutA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		4 HIS A 150
HIS A 376
HIS A 398
ASP A  79
 None
None
ZN  A 600 (-3.6A)
ZN  A 600 (-2.5A)
 1.05A 3c0zA-3t3oA:
undetectable		 3c0zA-3t3oA:
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		4 HIS A 239
HIS A 218
ASP A 289
ASP A 290
 UNX  A 606 ( 3.6A)
UNX  A 606 ( 3.2A)
UNX  A 608 ( 2.4A)
None
 1.16A 3c0zA-3t8lA:
undetectable		 3c0zA-3t8lA:
23.05
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 HIS A 330
HIS A 309
ASP A 247
ASP A 245
 None
None
ZN  A 474 ( 2.5A)
ZN  A 474 (-2.6A)
 1.14A 3c0zA-3uw2A:
undetectable		 3c0zA-3uw2A:
23.64
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.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 HIS A 246
ASP A 299
HIS A 303
ASP A 367
 None
None
TCG  A 601 (-4.1A)
TCG  A 601 (-3.2A)
 1.17A 3c0zA-3vtrA:
undetectable		 3c0zA-3vtrA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 HIS A 142
HIS A 368
HIS A 390
ASP A  78
 ZN  A1557 (-3.3A)
None
ZN  A1556 (-3.4A)
ZN  A1556 (-2.5A)
 1.17A 3c0zA-3zq4A:
undetectable		 3c0zA-3zq4A:
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 134
HIS A 135
ASP A 170
HIS A 172
ASP A 259
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
 0.16A 3c0zA-4a69A:
41.3		 3c0zA-4a69A:
24.45
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS B 140
HIS B 141
ASP B 176
HIS B 178
ASP B 264
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
 0.26A 3c0zA-4bkxB:
41.3		 3c0zA-4bkxB:
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
 0.20A 3c0zA-4bz7A:
39.4		 3c0zA-4bz7A:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7g BETA-N-ACETYLHEXOSAM
INIDASE

(Streptomyces
coelicolor) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 HIS A 176
ASP A 234
HIS A 238
ASP A 301
 None
None
NGO  A1495 (-4.0A)
NGO  A1495 (-3.8A)
 1.24A 3c0zA-4c7gA:
undetectable		 3c0zA-4c7gA:
22.70
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) 		5 HIS A 802
HIS A 803
ASP A 840
HIS A 842
ASP A 934
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
 0.21A 3c0zA-4cbyA:
62.9		 3c0zA-4cbyA:
69.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		4 HIS A 175
ASP A 163
HIS A 161
ASP A 159
 UNK  A 407 ( 3.8A)
MN  A 402 (-2.5A)
MN  A 401 (-3.4A)
MN  A 402 ( 2.5A)
 1.24A 3c0zA-4dz4A:
11.3		 3c0zA-4dz4A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		4 HIS A 175
ASP A 242
HIS A 161
ASP A 244
 UNK  A 407 ( 3.8A)
MN  A 401 ( 2.8A)
MN  A 401 (-3.4A)
MN  A 401 (-2.0A)
 1.23A 3c0zA-4dz4A:
11.3		 3c0zA-4dz4A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzi PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
cruzi) 		PF00248
(Aldo_ket_red) 		4 HIS A 145
HIS A 146
ASP A 274
ASP A 272
 None
 1.17A 3c0zA-4fziA:
undetectable		 3c0zA-4fziA:
17.22
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 HIS A  34
HIS A 215
ASP A 300
ASP A 301
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.4A)
ZN  A 401 (-2.6A)
None
 1.13A 3c0zA-4gxwA:
undetectable		 3c0zA-4gxwA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		4 HIS A 213
HIS A 294
HIS A 326
ASP A 132
 ZN  A 403 ( 3.3A)
G  A 402 (-3.6A)
ZN  A 404 ( 3.3A)
ZN  A 404 ( 2.6A)
 1.16A 3c0zA-4ojxA:
2.3		 3c0zA-4ojxA:
22.00
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		4 HIS A 171
ASP A 158
HIS A 156
ASP A 154
 XA2  A 407 (-3.2A)
MN  A 401 ( 2.5A)
MN  A 402 ( 3.3A)
MN  A 401 (-2.6A)
 1.22A 3c0zA-4q3rA:
13.5		 3c0zA-4q3rA:
23.23
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.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		4 HIS A 360
HIS A 329
ASP A 283
HIS A 362
 None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
 0.91A 3c0zA-4qpbA:
undetectable		 3c0zA-4qpbA:
14.89
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.
4rnz CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 HIS A 339
HIS A 306
ASP A 263
HIS A 341
 None
None
ZN  A 501 (-2.1A)
ZN  A 501 (-3.1A)
 1.01A 3c0zA-4rnzA:
undetectable		 3c0zA-4rnzA:
22.93
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.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 HIS A  97
HIS A  98
ASP A 149
ASP A  13
 MN  A 500 (-3.2A)
MN  A 500 (-4.7A)
MN  A 500 (-2.6A)
MN  A 501 (-2.0A)
 0.99A 3c0zA-4rpaA:
undetectable		 3c0zA-4rpaA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		4 HIS A 244
HIS A 268
HIS A 312
ASP A 159
 ZN  A 402 (-3.3A)
None
ZN  A 401 (-3.4A)
ZN  A 401 (-2.7A)
 1.19A 3c0zA-4xukA:
undetectable		 3c0zA-4xukA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		4 HIS A 237
HIS A 261
HIS A 305
ASP A 149
 ZN  A 401 ( 3.2A)
C6L  A 403 (-3.8A)
ZN  A 402 ( 3.3A)
ZN  A 402 ( 2.6A)
 1.20A 3c0zA-4zo3A:
undetectable		 3c0zA-4zo3A:
20.72
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 4 HIS A  86
ASP A 239
HIS A  88
ASP A  62
 None
ZN  A 402 (-2.2A)
ZN  A 402 (-3.3A)
ZN  A 402 (-2.0A)
 1.22A 3c0zA-5ce5A:
undetectable		 3c0zA-5ce5A:
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		4 HIS A  47
HIS A 114
ASP A 110
HIS A 152
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
ZN  A 701 (-2.5A)
MLI  A 706 (-3.9A)
 1.26A 3c0zA-5ebbA:
undetectable		 3c0zA-5ebbA:
20.58
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.
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
HIS B 651
ASP B 742
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
 0.24A 3c0zA-5eduB:
55.2		 3c0zA-5eduB:
28.31
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
HIS A 232
ASP A 323
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
 0.27A 3c0zA-5eefA:
54.2		 3c0zA-5eefA:
35.22
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 4 HIS B 573
ASP B 612
HIS B 614
ASP B 705
 None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
 0.10A 3c0zA-5efnB:
56.6		 3c0zA-5efnB:
41.61
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 573
HIS A 574
ASP A 612
HIS A 614
ASP A 705
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
 0.11A 3c0zA-5g0hA:
56.9		 3c0zA-5g0hA:
27.02
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 144
ASP A 181
HIS A 183
ASP A 269
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
 0.25A 3c0zA-5g10A:
46.6		 3c0zA-5g10A:
31.89
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		4 HIS A 200
HIS A 224
HIS A 268
ASP A 118
 ZN  A 402 (-3.4A)
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 2.5A)
 1.22A 3c0zA-5hifA:
undetectable		 3c0zA-5hifA:
25.45
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		4 HIS A 206
HIS A 280
ASP A 276
HIS A 317
 ZN  A 701 ( 3.3A)
PO4  A 710 (-4.2A)
ZN  A 702 (-2.3A)
PO4  A 710 (-3.7A)
 1.26A 3c0zA-5hqnA:
undetectable		 3c0zA-5hqnA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 HIS A 250
HIS A 219
ASP A 173
HIS A 252
 ZN  A 401 (-4.1A)
ZN  A 401 (-4.4A)
ZN  A 401 (-2.6A)
ZN  A 401 (-4.0A)
 0.93A 3c0zA-5j1lA:
undetectable		 3c0zA-5j1lA:
18.42
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 HIS A 125
HIS A 126
ASP A 163
HIS A 165
ASP A 244
 None
EDO  A 403 (-4.2A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
 0.15A 3c0zA-5ji5A:
44.5		 3c0zA-5ji5A:
29.54
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 HIS A 132
HIS A 312
ASP A 106
ASP A  45
 A  C1004 ( 3.5A)
A  C1004 ( 3.7A)
MN  A1001 ( 2.6A)
MN  A1002 (-2.2A)
 1.10A 3c0zA-5jjuA:
undetectable		 3c0zA-5jjuA:
25.92
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 HIS A 132
HIS A 312
ASP A 106
HIS A 131
ASP A  47
 A  C1004 ( 3.5A)
A  C1004 ( 3.7A)
MN  A1001 ( 2.6A)
MN  A1001 (-3.5A)
MN  A1001 (-3.2A)
 1.49A 3c0zA-5jjuA:
undetectable		 3c0zA-5jjuA:
25.92
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		4 HIS A  30
HIS A  97
ASP A  93
HIS A 135
 ZN  A 502 (-3.3A)
None
ZN  A 501 ( 2.6A)
None
 1.25A 3c0zA-5karA:
undetectable		 3c0zA-5karA:
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.
5kqc PEPTIDASE M23

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		4 HIS A 157
HIS A 125
ASP A  80
HIS A 159
 None
None
ZN  A 201 (-1.5A)
ZN  A 201 (-3.2A)
 1.03A 3c0zA-5kqcA:
undetectable		 3c0zA-5kqcA:
18.05
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.
5kvp ZOOCIN A
ENDOPEPTIDASE

(Streptococcus
equi) 		PF01551
(Peptidase_M23) 		4 HIS A 120
HIS A  89
ASP A  38
HIS A 122
 None
UNL  A 202 ( 3.8A)
ZN  A 201 (-1.9A)
ZN  A 201 (-3.1A)
 1.15A 3c0zA-5kvpA:
undetectable		 3c0zA-5kvpA:
17.83
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 HIS A 105
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.22A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 HIS A 105
HIS A 286
ASP A  80
ASP A  23
 PG4  A 403 (-4.5A)
PG4  A 403 ( 4.7A)
MN  A 401 ( 2.6A)
MN  A 401 (-2.0A)
 1.24A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 HIS A 105
HIS A 286
ASP A  80
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 ( 4.7A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.1A)
 1.23A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 4 HIS B 219
ASP B 271
HIS B 275
ASP B 345
 None
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
 1.17A 3c0zA-5oarB:
undetectable		 3c0zA-5oarB:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 136
HIS A 137
ASP A 174
HIS A 176
ASP A 267
 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)
 0.14A 3c0zA-5td7A:
53.8		 3c0zA-5td7A:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 143
ASP A 178
HIS A 180
ASP A 267
 None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
 0.16A 3c0zA-5vi6A:
39.7		 3c0zA-5vi6A:
25.73
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.
5xt3 PHOSPHODIESTERASE
ACTING ON CYCLIC
DINUCLEOTIDES

(Staphylococcus
aureus) 		no annotation 4 HIS A 443
ASP A 418
HIS A 442
ASP A 349
 None
MN  A 701 ( 2.5A)
MN  A 701 (-3.9A)
MN  A 701 (-3.2A)
 1.24A 3c0zA-5xt3A:
undetectable		 3c0zA-5xt3A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yh1 -

(-) 		no annotation 4 HIS A 462
HIS A 463
ASP A 528
ASP A 364
 MN  A 805 (-3.6A)
None
MN  A 805 (-2.6A)
MN  A 805 ( 4.7A)
 1.17A 3c0zA-5yh1A:
3.3		 3c0zA-5yh1A:
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.
5yh1 -

(-) 		no annotation 4 HIS A 463
ASP A 436
HIS A 462
ASP A 366
 None
MN  A 805 (-2.5A)
MN  A 805 (-3.6A)
MN  A 805 (-3.1A)
 1.18A 3c0zA-5yh1A:
3.3		 3c0zA-5yh1A:
undetectable