SIMILAR PATTERNS OF AMINO ACIDS FOR 5EF8_A_LBHA2004

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) 		10 HIS A  21
PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
TYR A 297
 None
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
 0.58A 5ef8A-1c3rA:
41.0		 5ef8A-1c3rA:
27.85
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 ASP A 285
HIS A 160
ASP A 148
HIS A 146
ASP A 144
 None
None
MN  A 350 (-2.5A)
MN  A 351 (-3.3A)
MN  A 350 ( 2.6A)
 1.20A 5ef8A-1gq7A:
4.4		 5ef8A-1gq7A:
22.86
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 291
HIS A 260
ASP A 214
HIS A 293
TYR A 204
 None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
None
 1.16A 5ef8A-1qwyA:
undetectable		 5ef8A-1qwyA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sef CONSERVED
HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF05899
(Cupin_3)
PF07883
(Cupin_2) 		5 ASP A  35
HIS A  34
SER A  51
HIS A  70
ASP A 129
 None
 1.45A 5ef8A-1sefA:
undetectable		 5ef8A-1sefA:
19.63
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) 		9 HIS A  36
HIS A 142
HIS A 143
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
TYR A 312
 None
3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.8A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
3YP  A1452 (-4.6A)
 0.50A 5ef8A-1zz3A:
50.3		 5ef8A-1zz3A:
33.42
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  36
HIS A 143
HIS A 182
ASP A 268
TYR A 312
 None
3YP  A1452 (-3.4A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 (-4.6A)
 1.11A 5ef8A-1zz3A:
50.3		 5ef8A-1zz3A:
33.42
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 ASP A 277
HIS A 139
ASP A 126
HIS A 124
ASP A 122
 None
None
MN  A 301 ( 2.6A)
MN  A 302 ( 3.2A)
MN  A 302 (-2.5A)
 1.26A 5ef8A-2cevA:
5.2		 5ef8A-2cevA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PRO A 444
HIS A 101
HIS A 141
HIS A 103
ASP A 471
 None
C2O  A 602 (-3.9A)
C2O  A 602 (-3.2A)
C2O  A 602 (-3.0A)
None
 1.48A 5ef8A-2fqdA:
undetectable		 5ef8A-2fqdA:
19.32
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.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 SER A 294
HIS A  98
ASP A  75
HIS A  97
ASP A  15
 2PN  A2001 ( 4.1A)
SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.38A 5ef8A-2hawA:
undetectable		 5ef8A-2hawA:
21.30
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.
2ihm DNA POLYMERASE MU

(Mus musculus) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		5 HIS A 366
HIS A 329
PHE A 391
ASP A 330
ASP A 332
 None
D3T  A 538 (-3.9A)
None
NA  A 902 (-2.5A)
NA  A 902 (-3.2A)
 1.45A 5ef8A-2ihmA:
undetectable		 5ef8A-2ihmA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		5 ASP A 284
SER A 293
HIS A 485
HIS A 487
ASP A 409
 MN  A1619 ( 3.8A)
None
None
None
None
 1.19A 5ef8A-2jlsA:
undetectable		 5ef8A-2jlsA:
21.20
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.
2nnf SULFUR
COVALENTLY-BINDING
PROTEIN

(Chlorobium
limicola) 		PF13501
(SoxY) 		5 PRO A  69
SER A  60
PHE A  62
PHE A  20
ASP A  13
 None
 1.23A 5ef8A-2nnfA:
undetectable		 5ef8A-2nnfA:
16.29
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 ASP A 350
SER A 360
HIS A 270
HIS A 362
ASP A   9
 None
None
ZN  A1001 (-4.8A)
ZN  A1001 ( 3.3A)
SO4  A3004 ( 4.5A)
 1.35A 5ef8A-3a52A:
2.4		 5ef8A-3a52A:
22.14
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.
3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ASP B 197
HIS B 196
PRO B 233
PHE B 205
TYR B 226
 None
SF4  B 309 (-3.2A)
SF4  B 309 ( 4.5A)
None
None
 1.44A 5ef8A-3ayxB:
undetectable		 5ef8A-3ayxB:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 PRO A 542
HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
 TSN  A 301 ( 4.5A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
 0.34A 5ef8A-3c10A:
56.6		 5ef8A-3c10A:
41.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 HIS A 217
HIS A 249
PHE A 180
ASP A  80
TYR A 118
 ZN  A 601 (-3.5A)
ZN  A 601 ( 3.4A)
None
ZN  A 601 ( 2.7A)
None
 1.49A 5ef8A-3c9fA:
undetectable		 5ef8A-3c9fA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3csq MORPHOGENESIS
PROTEIN 1

(Bacillus virus
phi29) 		no annotation 5 SER A 220
HIS A 278
HIS A 247
ASP A 195
HIS A 280
 None
None
None
ZN  A 335 (-2.1A)
ZN  A 335 (-3.1A)
 1.20A 5ef8A-3csqA:
undetectable		 5ef8A-3csqA:
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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		5 SER A  27
HIS A 243
HIS A  60
ASP A 197
HIS A 251
 None
 1.48A 5ef8A-3dclA:
undetectable		 5ef8A-3dclA:
21.28
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 141
HIS A 138
SER A 154
ASP A 411
TYR A 197
 None
 1.39A 5ef8A-3ddrA:
undetectable		 5ef8A-3ddrA:
15.68
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.
3evk SUPEROXIDE DISMUTASE
[FE]

(Pyrobaculum
aerophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ASP A  79
HIS A  83
HIS A  42
HIS A 180
ASP A 176
 None
None
MN  A 301 (-3.4A)
MN  A 301 (-3.5A)
MN  A 301 (-2.6A)
 1.44A 5ef8A-3evkA:
undetectable		 5ef8A-3evkA:
20.83
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 ASP A 247
HIS A 244
PRO A 141
HIS A 120
ASP A 149
 None
 1.47A 5ef8A-3htxA:
2.9		 5ef8A-3htxA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 HIS A  33
PRO A  34
HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
TYR A 308
 None
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
 0.50A 5ef8A-3maxA:
43.6		 5ef8A-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER A 153
HIS A 145
HIS A 183
ASP A 269
TYR A 308
 None
LLX  A 400 (-4.0A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
 1.07A 5ef8A-3maxA:
43.6		 5ef8A-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER A 153
HIS A 183
PHE A 210
ASP A 269
TYR A 308
 None
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
 1.39A 5ef8A-3maxA:
43.6		 5ef8A-3maxA:
28.07
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 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
 IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
 1.13A 5ef8A-3menA:
40.3		 5ef8A-3menA:
31.35
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) 		8 SER A 115
HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
TYR A 320
 IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
 0.41A 5ef8A-3menA:
40.3		 5ef8A-3menA:
31.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 SER A 233
HIS A  59
HIS A 231
ASP A 151
HIS A 178
 None
ZN  A 429 (-3.4A)
ZN  A 430 (-3.6A)
ZN  A 429 ( 2.7A)
ZN  A 430 (-3.3A)
 1.43A 5ef8A-3mpgA:
undetectable		 5ef8A-3mpgA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nip 3-GUANIDINOPROPIONAS
E

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 ASP A 290
HIS A 165
ASP A 152
HIS A 150
ASP A 148
 None
 1.27A 5ef8A-3nipA:
11.5		 5ef8A-3nipA:
23.74
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 ASP A 106
HIS A  16
HIS A 196
ASP A 277
ASP A 278
 None
ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.44A 5ef8A-3paoA:
undetectable		 5ef8A-3paoA:
21.15
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.
3psi TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		5 ASP A 926
SER A 932
PHE A 996
PHE A1105
TYR A 394
 None
 1.47A 5ef8A-3psiA:
undetectable		 5ef8A-3psiA:
15.14
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		6 HIS A 158
ASP A 195
HIS A 197
PHE A 225
ASP A 284
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
Q9C  A 401 (-3.8A)
ZN  A 343 (-2.7A)
None
 0.27A 5ef8A-3q9cA:
41.4		 5ef8A-3q9cA:
27.44
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.
3qjh 5C.C7 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS B 157
PRO B 155
SER B  87
ASP B 188
TYR B 154
 None
 1.15A 5ef8A-3qjhB:
undetectable		 5ef8A-3qjhB:
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.32A 5ef8A-3rysA:
undetectable		 5ef8A-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ASP A 428
SER A 470
ASP A 270
PHE A 233
ASP A 344
 None
 1.33A 5ef8A-3vu2A:
undetectable		 5ef8A-3vu2A:
18.23
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 HIS A  22
PRO A  23
HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
TYR A 298
 None
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 0.55A 5ef8A-4a69A:
43.0		 5ef8A-4a69A:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PRO A  23
HIS A 135
HIS A 172
ASP A 259
TYR A 298
 None
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 1.09A 5ef8A-4a69A:
43.0		 5ef8A-4a69A:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER A 142
HIS A 134
HIS A 172
ASP A 259
TYR A 298
 None
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 1.05A 5ef8A-4a69A:
43.0		 5ef8A-4a69A:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER A 142
HIS A 172
PHE A 200
ASP A 259
TYR A 298
 None
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 1.33A 5ef8A-4a69A:
43.0		 5ef8A-4a69A:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 HIS B  28
PRO B  29
HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
TYR B 303
 None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
 0.48A 5ef8A-4bkxB:
43.0		 5ef8A-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PRO B  29
HIS B 140
HIS B 178
ASP B 264
TYR B 303
 None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
 1.14A 5ef8A-4bkxB:
43.0		 5ef8A-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER B 148
HIS B 140
HIS B 178
ASP B 264
TYR B 303
 None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
 1.18A 5ef8A-4bkxB:
43.0		 5ef8A-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER B 148
HIS B 178
PHE B 205
ASP B 264
TYR B 303
 None
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
 1.31A 5ef8A-4bkxB:
43.0		 5ef8A-4bkxB:
25.15
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		8 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.38A 5ef8A-4bz7A:
40.9		 5ef8A-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.07A 5ef8A-4bz7A:
40.9		 5ef8A-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 SER A 149
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.10A 5ef8A-4bz7A:
40.9		 5ef8A-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 SER A 149
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.35A 5ef8A-4bz7A:
40.9		 5ef8A-4bz7A:
26.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		7 PRO A 676
HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
 0.37A 5ef8A-4cbyA:
55.2		 5ef8A-4cbyA:
43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 PRO A 676
HIS A 802
HIS A 803
PHE A 812
ASP A 840
PHE A 871
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.8A)
 0.66A 5ef8A-4cbyA:
55.2		 5ef8A-4cbyA:
43.69
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 ASP A 292
HIS A 175
ASP A 163
HIS A 161
ASP A 159
 None
UNK  A 407 ( 3.8A)
MN  A 402 (-2.5A)
MN  A 401 (-3.4A)
MN  A 402 ( 2.5A)
 1.20A 5ef8A-4dz4A:
11.7		 5ef8A-4dz4A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 SER A 135
HIS A  96
HIS A  98
PHE A  99
ASP A 207
 None
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
 1.31A 5ef8A-4keqA:
undetectable		 5ef8A-4keqA:
21.26
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.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 HIS A 360
HIS A 329
ASP A 283
HIS A 362
TYR A 270
 None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
None
 1.11A 5ef8A-4qpbA:
undetectable		 5ef8A-4qpbA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 SER A 306
HIS A 360
HIS A 329
ASP A 283
HIS A 362
 None
None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
 1.40A 5ef8A-4qpbA:
undetectable		 5ef8A-4qpbA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbz EVDO1

(Micromonospora
carbonacea) 		PF05721
(PhyH) 		5 ASP A 165
ASP A 141
HIS A 217
ASP A 159
TYR A 237
 None
NI  A 401 (-2.7A)
None
GOL  A 402 (-3.9A)
GOL  A 402 (-3.8A)
 1.33A 5ef8A-4xbzA:
undetectable		 5ef8A-4xbzA:
21.30
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.
5a4m HYDROGENASE-1 SMALL
CHAIN

(Escherichia
coli) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ASP S 188
HIS S 187
PRO S 224
PHE S 196
TYR S 217
 None
SF4  S 401 (-3.0A)
SF4  S 401 ( 4.5A)
None
None
 1.44A 5ef8A-5a4mS:
undetectable		 5ef8A-5a4mS:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5coa IRIDOID SYNTHASE

(Catharanthus
roseus) 		no annotation 5 ASP A  53
PRO A  55
HIS A 199
HIS A 257
PHE A 364
 None
 1.30A 5ef8A-5coaA:
4.1		 5ef8A-5coaA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 12 ASP B 497
HIS B 500
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
TYR B 782
 TSN  B2501 ( 4.5A)
TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
 0.34A 5ef8A-5eduB:
63.6		 5ef8A-5eduB:
29.34
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
 TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
 1.12A 5ef8A-5eduB:
63.6		 5ef8A-5eduB:
29.34
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 SER B 568
PHE B 680
ASP B 742
PHE B 620
ASP B 649
 TSN  B2501 ( 4.3A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
 1.21A 5ef8A-5eduB:
63.6		 5ef8A-5eduB:
29.34
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) 		10 HIS A  82
PRO A  83
SER A 150
HIS A 192
HIS A 193
PHE A 202
ASP A 230
HIS A 232
ASP A 323
TYR A 363
 None
None
TSN  A2002 (-3.6A)
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 (-4.3A)
 0.47A 5ef8A-5eefA:
61.1		 5ef8A-5eefA:
47.54
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 PRO A  83
HIS A 192
HIS A 232
ASP A 323
TYR A 363
 None
TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 (-4.3A)
 1.04A 5ef8A-5eefA:
61.1		 5ef8A-5eefA:
47.54
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 10 ASP B 460
HIS B 463
PRO B 464
HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
TYR B 745
 None
None
None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
 0.22A 5ef8A-5efnB:
67.6		 5ef8A-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 9 ASP B 460
SER B 531
HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
TYR B 745
 None
None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
 0.54A 5ef8A-5efnB:
67.6		 5ef8A-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 SER B 531
PHE B 643
ASP B 705
PHE B 583
ASP B 612
 None
None
ZN  B 801 (-2.6A)
None
ZN  B 801 ( 2.1A)
 1.16A 5ef8A-5efnB:
67.6		 5ef8A-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		12 ASP A 460
HIS A 463
PRO A 464
SER A 531
HIS A 573
HIS A 574
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
TYR A 745
 EDO  A1811 (-4.2A)
None
None
E1Z  A1801 ( 3.3A)
E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
E1Z  A1801 (-4.4A)
 0.24A 5ef8A-5g0hA:
67.6		 5ef8A-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 PRO A 464
HIS A 574
HIS A 614
ASP A 705
TYR A 745
 None
E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
E1Z  A1801 (-4.4A)
 0.98A 5ef8A-5g0hA:
67.6		 5ef8A-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 SER A 531
PHE A 643
ASP A 705
PHE A 583
ASP A 612
 E1Z  A1801 ( 3.3A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
 1.22A 5ef8A-5g0hA:
67.6		 5ef8A-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		9 HIS A  39
HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
TYR A 313
 None
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 0.34A 5ef8A-5g10A:
48.8		 5ef8A-5g10A:
30.73
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 PRO A 210
PHE A 209
ASP A 269
PHE A 153
ASP A 181
 None
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
 1.39A 5ef8A-5g10A:
48.8		 5ef8A-5g10A:
30.73
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A 323
HIS A 152
PHE A 245
ASP A 174
ASP A  86
 A  C   2 ( 4.4A)
None
A  C   2 ( 4.2A)
A  C   2 ( 4.1A)
A  C   2 ( 3.5A)
 1.24A 5ef8A-5habA:
undetectable		 5ef8A-5habA:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		9 HIS A  20
PRO A  21
HIS A 125
HIS A 126
PHE A 135
ASP A 163
HIS A 165
ASP A 244
TYR A 288
 None
None
None
EDO  A 403 (-4.2A)
EDO  A 403 ( 3.8A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
 0.29A 5ef8A-5ji5A:
11.9		 5ef8A-5ji5A:
32.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 PRO A  21
HIS A 126
HIS A 165
ASP A 244
TYR A 288
 None
EDO  A 403 (-4.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
 1.03A 5ef8A-5ji5A:
11.9		 5ef8A-5ji5A:
32.61
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.
5jvk UNCHARACTERIZED
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 HIS A 314
ASP A 407
HIS A 137
ASP A 403
TYR A 402
 None
None
GOL  A 654 (-4.3A)
None
GOL  A 654 (-4.4A)
 1.23A 5ef8A-5jvkA:
undetectable		 5ef8A-5jvkA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdj HOXK
UPTAKE HYDROGENASE
SMALL SUBUNIT

(Cupriavidus
necator) 		no annotation 5 ASP S 188
HIS S 187
PRO S 224
PHE S 196
TYR S 217
 None
SF4  S1001 (-3.2A)
SF4  S1001 ( 4.5A)
None
None
 1.45A 5ef8A-5mdjS:
undetectable		 5ef8A-5mdjS:
12.74
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 5 ASP B 442
HIS B 219
ASP B 271
HIS B 275
ASP B 345
 None
None
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
 1.32A 5ef8A-5oarB:
undetectable		 5ef8A-5oarB:
14.11
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 136
HIS A 137
PHE A 146
ASP A 174
HIS A 176
ASP A 267
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
FKS  A 711 (-3.9A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
 0.20A 5ef8A-5td7A:
60.5		 5ef8A-5td7A:
25.30
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
TYR A 306
 None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
 0.36A 5ef8A-5vi6A:
41.0		 5ef8A-5vi6A:
29.77
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER A 150
ASP A 178
HIS A 180
PHE A 208
ASP A 267
 EDO  A 410 (-1.9A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
 1.44A 5ef8A-5vi6A:
41.0		 5ef8A-5vi6A:
29.77
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A 195
ASP A 444
HIS A  71
PHE A 343
ASP A  17
 None
MN  A 602 (-2.6A)
None
None
MN  A 602 ( 2.2A)
 1.33A 5ef8A-5vpuA:
3.0		 5ef8A-5vpuA:
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.
5yh1 -

(-) 		no annotation 5 ASP A 679
HIS A 463
ASP A 436
HIS A 462
ASP A 366
 None
None
MN  A 805 (-2.5A)
MN  A 805 (-3.6A)
MN  A 805 (-3.1A)
 1.41A 5ef8A-5yh1A:
3.3		 5ef8A-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.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 5 HIS A 413
HIS A 242
HIS A 265
ASP A 343
TYR A 347
 None
DGT  A 701 (-4.4A)
DGT  A 701 (-3.9A)
DGT  A 701 (-2.6A)
DGT  A 701 (-3.8A)
 1.49A 5ef8A-6brkA:
undetectable		 5ef8A-6brkA:
14.04