SIMILAR PATTERNS OF AMINO ACIDS FOR 3C0Z_C_SHHC301_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.
1ako EXONUCLEASE III

(Escherichia
coli) 		PF03372
(Exo_endo_phos) 		4 ASP A 214
ASP A 229
HIS A 259
ASP A 151
 None
 1.12A 3c0zC-1akoA:
undetectable		 3c0zC-1akoA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.28A 3c0zC-1c3rA:
39.1		 3c0zC-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.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		4 ASP P 173
HIS P 151
ASP P  29
HIS P 229
 None
None
MG  P 603 (-3.1A)
None
 1.15A 3c0zC-1e33P:
2.4		 3c0zC-1e33P:
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.
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)
 1.10A 3c0zC-1i74A:
undetectable		 3c0zC-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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		4 ASP A  40
HIS A 126
HIS A  61
ASP A 201
 None
 0.94A 3c0zC-1j6oA:
undetectable		 3c0zC-1j6oA:
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		4 ASP A  64
HIS A 151
HIS A 126
ASP A 201
 None
 1.14A 3c0zC-1j6oA:
undetectable		 3c0zC-1j6oA:
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.
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)
 1.05A 3c0zC-1k20A:
undetectable		 3c0zC-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)
 1.20A 3c0zC-1krmA:
undetectable		 3c0zC-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)
 0.96A 3c0zC-1lbuA:
undetectable		 3c0zC-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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ASP A  79
HIS A  59
HIS A  54
ASP A  58
HIS A  56
 None
ZN  A 262 ( 3.3A)
ZN  A 261 ( 3.4A)
ZN  A 262 (-2.7A)
ZN  A 261 ( 3.3A)
 1.36A 3c0zC-1qh5A:
undetectable		 3c0zC-1qh5A:
19.34
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.
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)
 0.90A 3c0zC-1qwyA:
undetectable		 3c0zC-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.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc) 		4 ASP A 144
HIS A  20
HIS A  21
ASP A  67
 None
None
ZN  A 900 (-4.5A)
None
 1.04A 3c0zC-1taqA:
undetectable		 3c0zC-1taqA:
19.64
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.
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)
 1.10A 3c0zC-1wpnA:
undetectable		 3c0zC-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) 		5 ASP A  96
HIS A  64
HIS A  59
ASP A  63
HIS A  61
 None
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.1A)
 1.42A 3c0zC-1zkpA:
undetectable		 3c0zC-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)
 0.20A 3c0zC-1zz3A:
48.2		 3c0zC-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) 		5 ASP A 601
HIS A 391
HIS A 659
ASP A 736
ASP A 737
 None
ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 1.46A 3c0zC-2a3lA:
undetectable		 3c0zC-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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP X 144
HIS X 193
HIS X 221
ASP X  12
 None
None
FE2  X1305 (-3.4A)
FE2  X1305 (-3.1A)
 1.13A 3c0zC-2bq8X:
undetectable		 3c0zC-2bq8X:
22.30
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.
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 3c0zC-2dqbA:
undetectable		 3c0zC-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.
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)
 1.06A 3c0zC-2eb0A:
undetectable		 3c0zC-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  99
HIS A 100
ASP A 151
ASP A  13
 MN  A 402 ( 3.7A)
2PN  A1001 (-3.9A)
MN  A 402 ( 2.7A)
MN  A 401 (-2.6A)
 1.18A 3c0zC-2enxA:
undetectable		 3c0zC-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.
2gcu PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 3

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B) 		4 ASP A 164
HIS A  72
HIS A 128
ASP A  76
 None
FE2  A 300 (-3.3A)
FE2  A 300 (-3.4A)
None
 0.87A 3c0zC-2gcuA:
undetectable		 3c0zC-2gcuA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.04A 3c0zC-2gu1A:
undetectable		 3c0zC-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.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 ASP A 167
HIS A 171
HIS A 207
ASP A 242
 None
None
None
NB1  A1590 (-3.7A)
 0.86A 3c0zC-2j4gA:
undetectable		 3c0zC-2j4gA:
18.92
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.
2jc4 EXODEOXYRIBONUCLEASE
III

(Neisseria
meningitidis) 		PF03372
(Exo_endo_phos) 		4 ASP A 202
ASP A 217
HIS A 247
ASP A 146
 None
 1.15A 3c0zC-2jc4A:
undetectable		 3c0zC-2jc4A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2naf PEPTIDYL-TRNA
HYDROLASE

(Mycolicibacterium
smegmatis) 		PF01195
(Pept_tRNA_hydro) 		4 ASP A 145
HIS A  22
ASP A  95
HIS A 115
 None
 1.15A 3c0zC-2nafA:
3.0		 3c0zC-2nafA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.16A 3c0zC-2o6iA:
undetectable		 3c0zC-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
 1.10A 3c0zC-2q14A:
undetectable		 3c0zC-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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ASP A  80
HIS A  59
HIS A  54
ASP A  58
HIS A  56
 None
FE  A 701 (-3.1A)
ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
ZN  A 700 (-3.2A)
 1.40A 3c0zC-2q42A:
undetectable		 3c0zC-2q42A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2voa EXODEOXYRIBONUCLEASE
III

(Archaeoglobus
fulgidus) 		PF03372
(Exo_endo_phos) 		4 ASP A 202
ASP A 218
HIS A 248
ASP A 146
 None
 1.09A 3c0zC-2voaA:
undetectable		 3c0zC-2voaA:
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 ASP A 403
HIS A 332
ASP A 516
HIS A 456
 None
ZN  A1566 (-3.4A)
ZN  A1566 (-2.5A)
ZN  A1567 (-3.6A)
 0.92A 3c0zC-2w9mA:
undetectable		 3c0zC-2w9mA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		4 ASP B  60
HIS B 270
HIS B 266
ASP B 233
 None
 1.19A 3c0zC-2yjnB:
undetectable		 3c0zC-2yjnB:
24.89
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 ASP A 155
HIS A  54
HIS A 125
ASP A  58
 None
ZN  A 209 (-3.3A)
ZN  A 209 (-3.3A)
ZN  A 208 (-2.7A)
 0.84A 3c0zC-2zwrA:
undetectable		 3c0zC-2zwrA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 3c0zC-2zxoA:
undetectable		 3c0zC-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) 		6 ASP A 626
HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
 TSN  A 301 ( 4.0A)
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)
 0.23A 3c0zC-3c10A:
66.6		 3c0zC-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)
 0.91A 3c0zC-3csqA:
undetectable		 3c0zC-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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 GAMMA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF02665
(Nitrate_red_gam)
PF13247
(Fer4_11)
PF14710
(Nitr_red_alph_N)
PF14711
(Nitr_red_bet_C) 		4 ASP B 213
HIS C 225
ASP B 488
ASP A   5
 None
 1.20A 3c0zC-3egwB:
undetectable		 3c0zC-3egwB:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 ASP A 103
HIS A  81
HIS A  76
ASP A  80
HIS A  78
 None
MN  A 401 (-3.5A)
MN  A 400 ( 3.4A)
MLT  A 500 ( 2.8A)
MN  A 400 ( 3.3A)
 1.36A 3c0zC-3g1pA:
undetectable		 3c0zC-3g1pA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 3c0zC-3gdcA:
undetectable		 3c0zC-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
 0.85A 3c0zC-3io1A:
undetectable		 3c0zC-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)
 1.04A 3c0zC-3it7A:
undetectable		 3c0zC-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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		4 ASP A  51
HIS A 204
ASP A 238
ASP A 240
 None
FE  A 333 (-3.3A)
FE  A 333 (-1.9A)
FE  A 333 (-2.5A)
 1.17A 3c0zC-3ktcA:
undetectable		 3c0zC-3ktcA:
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.
3lat BIFUNCTIONAL
AUTOLYSIN

(Staphylococcus
epidermidis) 		PF01510
(Amidase_2) 		4 ASP A  90
HIS A 187
HIS A 124
ASP A  65
 None
None
ZN  A 221 ( 3.0A)
ZN  A 220 (-2.3A)
 0.86A 3c0zC-3latA:
undetectable		 3c0zC-3latA:
18.87
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)
 1.21A 3c0zC-3lggA:
undetectable		 3c0zC-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) 		6 ASP A 104
HIS A 145
HIS A 146
ASP A 181
HIS A 183
ASP A 269
 None
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)
 0.40A 3c0zC-3maxA:
42.3		 3c0zC-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 ASP A 113
HIS A 156
HIS A 157
ASP A 192
HIS A 194
 None
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
 1.48A 3c0zC-3menA:
38.8		 3c0zC-3menA:
30.97
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)
 0.22A 3c0zC-3menA:
38.8		 3c0zC-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.
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
 1.02A 3c0zC-3nyyA:
undetectable		 3c0zC-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
 1.00A 3c0zC-3ob8A:
undetectable		 3c0zC-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)
 1.12A 3c0zC-3paoA:
undetectable		 3c0zC-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.
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)
 0.23A 3c0zC-3q9cA:
39.3		 3c0zC-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.
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)
 1.11A 3c0zC-3rysA:
undetectable		 3c0zC-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
 1.04A 3c0zC-3sbqA:
undetectable		 3c0zC-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)
 1.01A 3c0zC-3sluA:
undetectable		 3c0zC-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.
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)
 1.11A 3c0zC-3t3oA:
undetectable		 3c0zC-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
 1.17A 3c0zC-3t8lA:
undetectable		 3c0zC-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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		4 ASP A 157
HIS A  56
HIS A 120
ASP A  60
 None
ZN  A 472 (-3.3A)
ZN  A 472 (-3.4A)
ZN  A 472 ( 4.9A)
 0.79A 3c0zC-3tp9A:
undetectable		 3c0zC-3tp9A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.15A 3c0zC-3uw2A:
undetectable		 3c0zC-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 3c0zC-3vtrA:
undetectable		 3c0zC-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.
3zdf GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Thermosynechococcus
elongatus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 ASP A 327
HIS A 335
HIS A 331
HIS A 140
 None
 1.18A 3c0zC-3zdfA:
2.3		 3c0zC-3zdfA:
21.67
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 ASP A  93
HIS A 134
HIS A 135
ASP A 170
HIS A 172
ASP A 259
 None
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)
 0.27A 3c0zC-4a69A:
41.4		 3c0zC-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 ASP B  99
HIS B 140
HIS B 141
ASP B 176
HIS B 178
 None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
 0.84A 3c0zC-4bkxB:
41.5		 3c0zC-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.
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)
 0.30A 3c0zC-4bkxB:
41.5		 3c0zC-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 3c0zC-4bz7A:
38.8		 3c0zC-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.
4c4b SUPEROXIDE REDUCTASE

(Archaeoglobus
fulgidus) 		PF01880
(Desulfoferrodox) 		4 ASP A   8
HIS A  40
HIS A  14
HIS A 113
 None
FE2  A1001 (-3.4A)
FE2  A1001 (-3.4A)
FE2  A1001 (-3.2A)
 1.01A 3c0zC-4c4bA:
undetectable		 3c0zC-4c4bA:
14.81
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)
 0.19A 3c0zC-4cbyA:
61.6		 3c0zC-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.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		4 ASP A 165
HIS A  79
HIS A 135
ASP A  83
 None
FE  A 501 (-3.5A)
FE  A 501 (-3.4A)
None
 0.87A 3c0zC-4chlA:
undetectable		 3c0zC-4chlA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4efz METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF00753
(Lactamase_B) 		4 ASP A 183
HIS A  68
HIS A 143
ASP A  72
 None
CA  A 301 (-3.5A)
CA  A 301 (-3.6A)
CA  A 301 ( 4.9A)
 0.85A 3c0zC-4efzA:
undetectable		 3c0zC-4efzA:
20.14
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.
4fzi PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
cruzi) 		PF00248
(Aldo_ket_red) 		4 HIS A 145
HIS A 146
ASP A 274
ASP A 272
 None
 1.15A 3c0zC-4fziA:
undetectable		 3c0zC-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
 1.16A 3c0zC-4gxwA:
undetectable		 3c0zC-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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		4 ASP A 539
HIS A 207
HIS A 206
HIS A  86
 None
MPD  A 604 ( 4.9A)
None
None
 1.12A 3c0zC-4ia5A:
undetectable		 3c0zC-4ia5A:
22.08
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.
4knk BIFUNCTIONAL
AUTOLYSIN

(Staphylococcus
aureus) 		PF01510
(Amidase_2) 		4 ASP A 295
HIS A 392
HIS A 329
ASP A 270
 None
 0.86A 3c0zC-4knkA:
undetectable		 3c0zC-4knkA:
20.51
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.
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)
 0.92A 3c0zC-4qpbA:
undetectable		 3c0zC-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)
 1.02A 3c0zC-4rnzA:
undetectable		 3c0zC-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)
 1.01A 3c0zC-4rpaA:
undetectable		 3c0zC-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.
4ysb METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Myxococcus
xanthus) 		PF00753
(Lactamase_B) 		4 ASP A 140
HIS A  57
HIS A 112
ASP A  61
 None
FE  A 301 (-3.4A)
FE  A 301 (-3.3A)
None
 0.86A 3c0zC-4ysbA:
undetectable		 3c0zC-4ysbA:
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.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		4 ASP A 183
HIS A  74
HIS A 149
ASP A  78
 None
FE  A 301 (-3.4A)
FE  A 301 ( 3.5A)
GSH  A 302 ( 4.4A)
 0.85A 3c0zC-4yslA:
undetectable		 3c0zC-4yslA:
21.16
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.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 ASP A 311
HIS A 210
ASP A 218
HIS A 215
 DGT  A 701 (-2.4A)
DGT  A 701 (-4.5A)
None
DGT  A 701 (-3.6A)
 1.05A 3c0zC-4zweA:
undetectable		 3c0zC-4zweA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 HIS A 210
HIS A 215
ASP A 207
ASP A 311
 DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
 1.17A 3c0zC-5ao0A:
undetectable		 3c0zC-5ao0A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b4c UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00149
(Metallophos) 		4 ASP A 122
HIS A 114
HIS A 195
ASP A  41
 GOL  A 302 (-3.9A)
MN  A 301 (-3.5A)
MN  A 301 ( 3.4A)
MN  A 301 (-2.6A)
 1.12A 3c0zC-5b4cA:
undetectable		 3c0zC-5b4cA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ASP B 567
HIS B 610
HIS B 611
ASP B 649
HIS B 651
 None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
 1.33A 3c0zC-5eduB:
54.8		 3c0zC-5eduB:
28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.26A 3c0zC-5eduB:
54.8		 3c0zC-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 ASP A 149
HIS A 192
HIS A 193
ASP A 230
HIS A 232
 None
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
 1.31A 3c0zC-5eefA:
54.0		 3c0zC-5eefA:
35.22
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 3c0zC-5eefA:
54.0		 3c0zC-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)
 0.15A 3c0zC-5efnB:
56.0		 3c0zC-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)
 0.16A 3c0zC-5g0hA:
56.2		 3c0zC-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) 		6 ASP A 101
HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
 6DK  A1375 (-3.0A)
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
 0.69A 3c0zC-5g10A:
47.0		 3c0zC-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.
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)
 0.94A 3c0zC-5j1lA:
undetectable		 3c0zC-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) 		6 ASP A  83
HIS A 125
HIS A 126
ASP A 163
HIS A 165
ASP A 244
 EDO  A 403 ( 4.6A)
None
EDO  A 403 (-4.2A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
 0.61A 3c0zC-5ji5A:
44.6		 3c0zC-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)
 1.09A 3c0zC-5jjuA:
undetectable		 3c0zC-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) 		4 HIS A 132
HIS A 312
ASP A 106
ASP A  47
 A  C1004 ( 3.5A)
A  C1004 ( 3.7A)
MN  A1001 ( 2.6A)
MN  A1001 (-3.2A)
 1.15A 3c0zC-5jjuA:
undetectable		 3c0zC-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.
5k8b 8-AMINO-3,8-DIDEOXY-
ALPHA-D-MANNO-OCTULO
SONATE TRANSAMINASE

(Shewanella
oneidensis) 		PF01041
(DegT_DnrJ_EryC1) 		4 ASP A 221
HIS A 217
ASP A 212
HIS A 215
 None
 0.83A 3c0zC-5k8bA:
undetectable		 3c0zC-5k8bA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3c0zC-5kqcA:
undetectable		 3c0zC-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)
 1.17A 3c0zC-5kvpA:
undetectable		 3c0zC-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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 ASP A 172
HIS A 545
HIS A 540
ASP A 544
 None
ZN  A 902 (-3.4A)
ZN  A 901 (-3.4A)
ZN  A 902 ( 2.6A)
 1.17A 3c0zC-5mtzA:
undetectable		 3c0zC-5mtzA:
17.45
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 HIS A 104
HIS A 105
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.19A 3c0zC-5o25A:
undetectable		 3c0zC-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)
 1.21A 3c0zC-5oarB:
undetectable		 3c0zC-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) 		6 ASP A  94
HIS A 136
HIS A 137
ASP A 174
HIS A 176
ASP A 267
 FKS  A 711 (-3.5A)
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)
 0.70A 3c0zC-5td7A:
53.8		 3c0zC-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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 4 ASP B 144
HIS B  58
HIS B 114
ASP B  62
 None
FE  B 500 (-3.3A)
FE  B 500 (-3.3A)
None
 0.81A 3c0zC-5ve3B:
undetectable		 3c0zC-5ve3B:
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 ASP A 101
HIS A 142
HIS A 143
ASP A 178
HIS A 180
ASP A 267
 None
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
 0.36A 3c0zC-5vi6A:
39.9		 3c0zC-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.
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)
 1.18A 3c0zC-5yh1A:
undetectable		 3c0zC-5yh1A:
undetectable