SIMILAR PATTERNS OF AMINO ACIDS FOR 4HVR_A_SALA203_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.
1ey2 HOMOGENTISATE
1,2-DIOXYGENASE

(Homo sapiens) 		PF04209
(HgmA) 		4 HIS A 335
GLU A 341
HIS A 371
GLU A 401
 FE2  A1001 (-3.4A)
FE2  A1001 (-2.2A)
FE2  A1001 (-3.5A)
None
 0.89A 4hvrA-1ey2A:
5.3		 4hvrA-1ey2A:
15.40
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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 HIS F 296
GLU F  70
HIS F 295
GLU F  67
 None
 0.99A 4hvrA-1j8mF:
undetectable		 4hvrA-1j8mF:
16.83
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 HIS A 319
ASP A 315
HIS A 359
VAL A  83
 ZN  A 477 (-3.2A)
ZN  A 477 (-2.1A)
None
None
 1.13A 4hvrA-1k7hA:
undetectable		 4hvrA-1k7hA:
17.85
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 ASP A 119
GLU A 154
HIS A 439
GLU A 153
 ZN  A1001 (-2.4A)
ZN  A1001 ( 1.9A)
ZN  A1001 ( 3.1A)
AEP  A 683 (-2.7A)
 1.03A 4hvrA-1lfwA:
undetectable		 4hvrA-1lfwA:
15.66
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.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		4 ASP A 220
GLU A 255
PRO A  10
GLU A 206
 None
 1.13A 4hvrA-1mhsA:
undetectable		 4hvrA-1mhsA:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 HIS D 147
ASP D 143
VAL B 110
GLU D  71
 FE  D   4 ( 3.2A)
None
None
None
 1.05A 4hvrA-1mtyD:
undetectable		 4hvrA-1mtyD:
14.17
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 HIS A 197
GLU A 115
HIS A  49
VAL A  83
 FE  A 401 (-3.5A)
FE  A 401 (-2.6A)
None
None
 0.96A 4hvrA-1o12A:
undetectable		 4hvrA-1o12A:
19.31
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 HIS A 689
GLU A 695
HIS A 613
PRO A 614
 CU  A 801 (-3.2A)
None
None
None
 1.02A 4hvrA-1qafA:
undetectable		 4hvrA-1qafA:
13.32
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.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 125
GLU A 160
HIS A 421
GLU A 159
 ZN  A 501 ( 2.3A)
ZN  A 501 (-2.0A)
ZN  A 501 (-3.2A)
ZN  A 500 ( 3.9A)
 1.11A 4hvrA-1r3nA:
undetectable		 4hvrA-1r3nA:
16.45
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.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A 421
ASP A 125
GLU A 160
GLU A 159
 ZN  A 501 (-3.2A)
ZN  A 501 ( 2.3A)
ZN  A 501 (-2.0A)
ZN  A 500 ( 3.9A)
 1.10A 4hvrA-1r3nA:
undetectable		 4hvrA-1r3nA:
16.45
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		4 ASP A 182
GLU A 215
HIS A 325
GLU A 214
 ZN  A 372 (-2.5A)
ZN  A 372 ( 4.5A)
None
ZN  A 372 ( 3.9A)
 1.01A 4hvrA-1vheA:
undetectable		 4hvrA-1vheA:
17.80
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 HIS A 199
ASP A 195
HIS A 268
VAL A 152
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.4A)
 1.09A 4hvrA-1vljA:
undetectable		 4hvrA-1vljA:
17.73
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.
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp. WS) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLU A  19
HIS A   8
PRO A  61
VAL A  21
 GLU  A  19 ( 0.6A)
HIS  A   8 ( 1.0A)
PRO  A  61 ( 1.1A)
VAL  A  21 ( 0.6A)
 1.03A 4hvrA-1wlyA:
undetectable		 4hvrA-1wlyA:
16.62
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.
1wp5 TOPOISOMERASE IV

(Geobacillus
stearothermophilus) 		PF03989
(DNA_gyraseA_C) 		4 HIS A 321
ASP A   6
GLU A  46
HIS A 322
 None
 1.03A 4hvrA-1wp5A:
undetectable		 4hvrA-1wp5A:
20.86
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.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		4 HIS A 420
ASP A 421
PRO A 471
VAL A 391
 GOL  A1001 (-4.0A)
GOL  A1001 (-2.6A)
None
None
 1.11A 4hvrA-1x1nA:
undetectable		 4hvrA-1x1nA:
17.52
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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		4 HIS A 182
ASP A 130
GLU A 178
VAL A 260
 None
CRB  A 500 ( 3.2A)
ZN  A 600 ( 3.1A)
None
 1.11A 4hvrA-1xajA:
undetectable		 4hvrA-1xajA:
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLU A  66
HIS A  68
PRO A  69
VAL A  93
 None
 1.12A 4hvrA-1xc6A:
undetectable		 4hvrA-1xc6A:
10.67
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.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		4 ASP A 182
GLU A 213
HIS A 323
GLU A 212
 ZN  A1002 (-2.4A)
ZN  A1002 ( 2.0A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.8A)
 1.07A 4hvrA-1y0yA:
undetectable		 4hvrA-1y0yA:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yfy 3-HYDROXYANTHRANILAT
E-3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		PF06052
(3-HAO) 		7 HIS A  51
ASP A  53
GLU A  57
HIS A  95
PRO A  97
VAL A 108
GLU A 110
 FE  A 300 ( 3.1A)
None
FE  A 300 ( 2.2A)
FE  A 300 ( 3.2A)
3HA  A 401 (-3.7A)
None
3HA  A 401 ( 3.6A)
 0.55A 4hvrA-1yfyA:
26.4		 4hvrA-1yfyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yfy 3-HYDROXYANTHRANILAT
E-3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		PF06052
(3-HAO) 		5 HIS A  95
ASP A  53
GLU A  57
VAL A 108
GLU A 110
 FE  A 300 ( 3.2A)
None
FE  A 300 ( 2.2A)
None
3HA  A 401 ( 3.6A)
 1.38A 4hvrA-1yfyA:
26.4		 4hvrA-1yfyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zvf 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Saccharomyces
cerevisiae) 		PF06052
(3-HAO) 		6 HIS A  49
GLU A  55
HIS A  97
PRO A  99
VAL A 109
GLU A 111
 NI  A 201 (-3.2A)
NI  A 201 (-2.0A)
NI  A 201 (-3.2A)
None
None
NI  A 201 ( 4.6A)
 0.51A 4hvrA-1zvfA:
23.1		 4hvrA-1zvfA:
37.57
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 GLU A 193
HIS A 188
PRO A 186
VAL A 197
 None
 1.10A 4hvrA-2e3zA:
undetectable		 4hvrA-2e3zA:
16.88
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.
2f99 AKLANONIC ACID
METHYL ESTER
CYCLASE, AKNH

(Streptomyces
galilaeus) 		PF07366
(SnoaL) 		4 HIS A 107
ASP A 121
HIS A 119
VAL A  52
 None
AKV  A1335 (-2.7A)
None
None
 0.99A 4hvrA-2f99A:
undetectable		 4hvrA-2f99A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		4 ASP A 251
GLU A 281
HIS A 427
GLU A 280
 MN  A5002 ( 2.7A)
MN  A5002 (-2.1A)
MN  A5002 (-3.6A)
MN  A5001 (-4.4A)
 1.04A 4hvrA-2glfA:
undetectable		 4hvrA-2glfA:
15.08
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.
2glj PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Clostridium
acetobutylicum) 		PF02127
(Peptidase_M18) 		4 ASP A 265
GLU A 296
HIS A 441
GLU A 295
 MN  A6002 ( 2.9A)
MN  A6001 ( 2.2A)
MN  A6001 (-4.1A)
MN  A6002 (-3.1A)
 1.01A 4hvrA-2gljA:
undetectable		 4hvrA-2gljA:
16.52
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.
2hhl CTD SMALL
PHOSPHATASE-LIKE
PROTEIN

(Homo sapiens) 		PF03031
(NIF) 		4 ASP A  25
GLU A  85
PRO A  19
VAL A  87
 None
 1.06A 4hvrA-2hhlA:
undetectable		 4hvrA-2hhlA:
24.04
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.
2p87 PRE-MRNA-SPLICING
FACTOR PRP8

(Caenorhabditis
elegans) 		PF01398
(JAB)
PF08084
(PROCT) 		4 HIS A2299
ASP A2301
HIS A2302
VAL A2266
 None
 1.04A 4hvrA-2p87A:
undetectable		 4hvrA-2p87A:
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 123
GLU A 158
HIS A 431
GLU A 157
 MN  A 460 (-2.6A)
MN  A 460 ( 4.9A)
None
MN  A 460 ( 3.8A)
 0.98A 4hvrA-2pokA:
undetectable		 4hvrA-2pokA:
16.81
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 GLU A 270
HIS A 344
VAL A 169
GLU A 273
 None
 1.05A 4hvrA-2q1fA:
undetectable		 4hvrA-2q1fA:
10.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qnk 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Homo sapiens) 		PF06052
(3-HAO) 		6 HIS A  47
GLU A  53
HIS A  91
PRO A  93
VAL A 103
GLU A 105
 NI  A 287 (-3.2A)
NI  A 287 (-1.9A)
NI  A 287 (-3.3A)
None
None
NI  A 287 ( 4.6A)
 0.38A 4hvrA-2qnkA:
17.2		 4hvrA-2qnkA:
24.83
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.
2v35 ELASTASE-1

(Sus scrofa) 		PF00089
(Trypsin) 		4 ASP A  77
GLU A  80
VAL A  67
GLU A  70
 NA  A1247 (-3.3A)
NA  A1247 (-3.4A)
None
NA  A1247 (-2.9A)
 0.86A 4hvrA-2v35A:
undetectable		 4hvrA-2v35A:
20.16
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.
2yst PROTOCADHERIN-7

(Homo sapiens) 		PF00028
(Cadherin) 		4 GLU A  50
PRO A 100
VAL A  52
GLU A  68
 None
 0.93A 4hvrA-2ystA:
undetectable		 4hvrA-2ystA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 HIS A 769
GLU A 701
PRO A 767
VAL A 699
 None
 1.12A 4hvrA-3bg9A:
undetectable		 4hvrA-3bg9A:
13.64
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.
3bkn BACTERIOFERRITIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 GLU A 127
HIS A  54
VAL A  97
GLU A  94
 ZN  A 201 ( 2.3A)
ZN  A 201 (-3.1A)
None
ZN  A 202 (-2.2A)
 0.96A 4hvrA-3bknA:
undetectable		 4hvrA-3bknA:
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.
3cpx AMINOPEPTIDASE, M42
FAMILY

(Cytophaga
hutchinsonii) 		PF05343
(Peptidase_M42) 		4 ASP A 146
GLU A 173
HIS A 277
GLU A 172
 FE  A 400 ( 2.4A)
FE  A 401 ( 2.0A)
FE  A 401 (-3.4A)
FE  A 400 (-3.7A)
 0.97A 4hvrA-3cpxA:
undetectable		 4hvrA-3cpxA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d82 CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Shewanella
frigidimarina) 		PF07883
(Cupin_2) 		5 HIS A  46
GLU A  51
HIS A  85
PRO A  87
GLU A  99
 NI  A 500 ( 3.6A)
NI  A 500 ( 2.5A)
NI  A 500 (-3.7A)
None
None
 1.39A 4hvrA-3d82A:
10.2		 4hvrA-3d82A:
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		4 ASP A 260
HIS A 262
PRO A 146
GLU A  74
 FE  A 303 ( 2.6A)
ZN  A 301 ( 3.5A)
PO4  A 305 ( 4.8A)
FE  A 303 (-2.5A)
 1.09A 4hvrA-3e0fA:
undetectable		 4hvrA-3e0fA:
20.93
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.
3eyy PUTATIVE IRON UPTAKE
REGULATORY PROTEIN

(Streptomyces
coelicolor) 		PF01475
(FUR) 		4 HIS A  86
GLU A 101
HIS A  88
VAL A  99
 ZN  A 147 (-3.3A)
ZN  A 147 ( 4.0A)
ZN  A 147 (-3.7A)
None
 1.00A 4hvrA-3eyyA:
undetectable		 4hvrA-3eyyA:
22.75
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.
3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Bos taurus) 		PF06052
(3-HAO) 		6 HIS A  47
GLU A  53
HIS A  91
PRO A  93
VAL A 103
GLU A 105
 FE  A   1 (-3.2A)
FE  A   1 (-1.9A)
FE  A   1 (-3.2A)
None
None
FE  A   1 ( 4.5A)
 0.40A 4hvrA-3fe5A:
17.8		 4hvrA-3fe5A:
26.99
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.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		4 ASP A 242
HIS A 240
VAL A 249
GLU A 248
 None
 1.05A 4hvrA-3gycA:
undetectable		 4hvrA-3gycA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1w MANNOSE-6-PHOSPHATE
ISOMERASE

(Salmonella
enterica) 		PF01238
(PMI_typeI) 		4 GLU A 134
HIS A  99
VAL A 136
GLU A 264
 ZN  A 397 ( 2.3A)
ZN  A 397 (-3.3A)
None
Y1  A 398 (-2.6A)
 0.99A 4hvrA-3h1wA:
4.8		 4hvrA-3h1wA:
18.32
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.
3ic1 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Haemophilus
influenzae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 100
GLU A 135
HIS A 349
GLU A 134
 ZN  A1001 ( 2.4A)
ZN  A1002 ( 1.7A)
ZN  A1002 (-3.4A)
ZN  A1001 (-3.9A)
 0.94A 4hvrA-3ic1A:
undetectable		 4hvrA-3ic1A:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ife PEPTIDASE T

(Bacillus
anthracis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 142
GLU A 177
HIS A 381
GLU A 176
 ZN  A 411 ( 2.3A)
ZN  A 412 (-2.2A)
ZN  A 412 (-3.4A)
ZN  A 411 ( 4.0A)
 0.95A 4hvrA-3ifeA:
undetectable		 4hvrA-3ifeA:
18.04
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.
3iib PEPTIDASE M28

(Shewanella
amazonensis) 		PF04389
(Peptidase_M28) 		4 ASP A 292
GLU A 327
HIS A 425
GLU A 326
 ZN  A   1 ( 2.5A)
ZN  A   1 (-2.0A)
ZN  A   1 (-3.5A)
ZN  A   2 ( 3.8A)
 1.05A 4hvrA-3iibA:
undetectable		 4hvrA-3iibA:
18.30
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.
3l2h PUTATIVE SUGAR
PHOSPHATE ISOMERASE

(Acidithiobacillus
ferrooxidans) 		PF07883
(Cupin_2) 		4 HIS A  62
GLU A  69
HIS A 104
VAL A 118
 EDO  A 167 (-4.2A)
EDO  A 167 (-2.8A)
EDO  A 167 (-4.0A)
EDO  A 167 ( 4.9A)
 1.09A 4hvrA-3l2hA:
8.6		 4hvrA-3l2hA:
24.46
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.
3lnn MEMBRANE FUSION
PROTEIN (MFP) HEAVY
METAL CATION EFFLUX
ZNEB (CZCB-LIKE)

(Cupriavidus
metallidurans) 		PF00529
(HlyD)
PF16576
(HlyD_D23) 		4 HIS A 221
GLU A 329
HIS A 285
VAL A 289
 ZN  A 360 (-3.3A)
ZN  A 360 (-2.3A)
ZN  A 360 (-3.5A)
None
 1.12A 4hvrA-3lnnA:
undetectable		 4hvrA-3lnnA:
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.
3moz MYO-INOSITOL
HEXAPHOSPHATE
PHOSPHOHYDROLASE

(Selenomonas
ruminantium) 		PF14566
(PTPlike_phytase) 		4 ASP A 132
GLU A 205
HIS A 251
VAL A 208
 None
 1.09A 4hvrA-3mozA:
undetectable		 4hvrA-3mozA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n1q DESERT HEDGEHOG
PROTEIN

(Homo sapiens) 		no annotation 4 HIS B 141
ASP B 148
HIS B 135
GLU B 177
 ZN  B 190 (-3.5A)
ZN  B 190 (-2.5A)
None
ZN  B 190 (-3.6A)
 1.12A 4hvrA-3n1qB:
undetectable		 4hvrA-3n1qB:
21.24
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.
3n5f N-CARBAMOYL-L-AMINO
ACID HYDROLASE

(Geobacillus
stearothermophilus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A  90
GLU A 125
HIS A 380
GLU A 124
 CO  A 410 (-2.8A)
CO  A 410 ( 4.7A)
None
CO  A 410 (-3.3A)
 1.03A 4hvrA-3n5fA:
undetectable		 4hvrA-3n5fA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLU A  66
HIS A  68
PRO A  69
VAL A  93
 None
 1.13A 4hvrA-3ogrA:
undetectable		 4hvrA-3ogrA:
9.86
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.
3pgl CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1

(Homo sapiens) 		PF03031
(NIF) 		4 ASP A  87
GLU A 147
PRO A  81
VAL A 149
 None
 1.07A 4hvrA-3pglA:
undetectable		 4hvrA-3pglA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		4 HIS A 198
ASP A 194
HIS A 258
VAL A 153
 FE  A 360 ( 3.4A)
FE  A 360 (-2.0A)
NI  A 361 ( 3.1A)
NAD  A 358 (-4.2A)
 1.02A 4hvrA-3rf7A:
undetectable		 4hvrA-3rf7A:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aq2 HOMOGENTISATE
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF04209
(HgmA) 		4 HIS A 331
GLU A 337
HIS A 367
GLU A 396
 FE  A 800 (-3.3A)
FE  A 800 (-1.8A)
FE  A 800 (-3.4A)
None
 0.79A 4hvrA-4aq2A:
4.7		 4hvrA-4aq2A:
18.48
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 214
ASP A 212
VAL A 265
GLU A 264
 FMT  A 506 ( 4.7A)
MG  A 504 ( 2.4A)
None
MG  A 504 ( 2.5A)
 1.03A 4hvrA-4e4fA:
undetectable		 4hvrA-4e4fA:
17.57
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.
4hr3 PUTATIVE ACYL-COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 247
PRO A 210
VAL A 128
GLU A 124
 None
 1.11A 4hvrA-4hr3A:
undetectable		 4hvrA-4hr3A:
18.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hvq 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		PF06052
(3-HAO) 		7 HIS A  51
ASP A  53
GLU A  57
HIS A  95
PRO A  97
VAL A 108
GLU A 110
 FE2  A 201 (-3.0A)
None
FE2  A 201 (-2.3A)
FE2  A 201 (-3.4A)
None
None
FE2  A 201 ( 4.9A)
 0.36A 4hvrA-4hvqA:
26.1		 4hvrA-4hvqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hvq 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		PF06052
(3-HAO) 		5 HIS A  95
ASP A  53
GLU A  57
VAL A 108
GLU A 110
 FE2  A 201 (-3.4A)
None
FE2  A 201 (-2.3A)
None
FE2  A 201 ( 4.9A)
 1.42A 4hvrA-4hvqA:
26.1		 4hvrA-4hvqA:
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 225
ASP A 223
VAL A 276
GLU A 275
 MG  A 501 ( 4.8A)
MG  A 501 (-2.4A)
None
MG  A 501 (-2.6A)
 0.99A 4hvrA-4il2A:
undetectable		 4hvrA-4il2A:
17.98
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLU A  66
HIS A  68
PRO A  69
VAL A  93
 None
 1.12A 4hvrA-4iugA:
undetectable		 4hvrA-4iugA:
10.84
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT

(Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		4 ASP A 111
GLU A  20
PRO A 171
VAL A  27
 None
 1.06A 4hvrA-4kpuA:
undetectable		 4hvrA-4kpuA:
19.08
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.
4p5k RAS PEPTIDE,HLA
CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DP BETA 1
CHAIN

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 HIS B -17
GLU B  69
VAL B  72
GLU B  68
 None
 1.10A 4hvrA-4p5kB:
undetectable		 4hvrA-4p5kB:
22.88
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		4 ASP A  95
GLU A 127
HIS A 329
GLU A 126
 None
 0.97A 4hvrA-4q7aA:
undetectable		 4hvrA-4q7aA:
19.78
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.
4qvj VP1

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 HIS A 515
PRO A 516
VAL A 233
GLU A 235
 None
 1.00A 4hvrA-4qvjA:
undetectable		 4hvrA-4qvjA:
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.
4ruh CYTOSOLIC
NON-SPECIFIC
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 132
GLU A 167
HIS A 445
GLU A 166
 MN  A 503 (-2.4A)
MN  A 503 (-1.9A)
MN  A 503 ( 3.3A)
BES  A 501 (-2.9A)
 1.09A 4hvrA-4ruhA:
undetectable		 4hvrA-4ruhA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A 387
ASP A  99
GLU A 134
GLU A 133
 ZN  A 501 (-2.8A)
ZN  A 501 (-1.8A)
ZN  A 501 (-1.8A)
ZN  A 501 ( 4.1A)
 0.99A 4hvrA-4wjbA:
undetectable		 4hvrA-4wjbA:
17.67
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.
4wwv AMINOPEPTIDASE FROM
FAMILY M42

(Desulfurococcus
amylolyticus) 		PF05343
(Peptidase_M42) 		4 ASP A 184
GLU A 215
HIS A 329
GLU A 214
 None
 0.90A 4hvrA-4wwvA:
undetectable		 4hvrA-4wwvA:
20.34
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.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		4 ASP A 177
GLU A 208
HIS A 314
GLU A 207
 ZN  A 401 ( 2.6A)
CO  A 402 (-1.8A)
CO  A 402 (-3.5A)
CL  A 403 ( 2.8A)
 0.92A 4hvrA-4x8iA:
undetectable		 4hvrA-4x8iA:
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.
4xaa PUTATIVE OXYGENASE

(Streptomyces
viridochromogenes) 		PF05721
(PhyH) 		4 HIS A 196
ASP A 127
HIS A 190
VAL A 112
 NI  A 301 (-3.4A)
NI  A 301 (-2.5A)
None
None
 1.10A 4hvrA-4xaaA:
5.4		 4hvrA-4xaaA:
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		4 ASP H  77
GLU H  80
VAL H  67
GLU H  70
 None
CA  H 502 (-3.3A)
None
CA  H 502 (-2.8A)
 1.06A 4hvrA-4ylqH:
undetectable		 4hvrA-4ylqH:
22.40
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.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLU A  16
HIS A   7
PRO A  56
VAL A  18
 None
 1.03A 4hvrA-4z6kA:
undetectable		 4hvrA-4z6kA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxc HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Pseudomonas sp.
WBC-3) 		no annotation 4 HIS W 256
GLU W 262
HIS W 303
VAL W 315
 FE  W 500 (-3.1A)
FE  W 500 (-2.1A)
FE  W 500 (-3.1A)
None
 0.72A 4hvrA-4zxcW:
8.6		 4hvrA-4zxcW:
21.23
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.
5bxx L-ECTOINE SYNTHASE

(Sphingopyxis
alaskensis) 		PF06339
(Ectoine_synth) 		4 GLU A 115
PRO A 109
VAL A 116
GLU A 119
 None
 1.11A 4hvrA-5bxxA:
6.9		 4hvrA-5bxxA:
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.
5c5v ACIDOCALCISOMAL
PYROPHOSPHATASE

(Trypanosoma
brucei) 		PF00719
(Pyrophosphatase) 		4 HIS A 348
ASP A 346
PRO A 351
VAL A 332
 None
 0.98A 4hvrA-5c5vA:
undetectable		 4hvrA-5c5vA:
18.93
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.
5cuy ACIDOCALCISOMAL
PYROPHOSPHATASE

(Trypanosoma
brucei) 		PF00719
(Pyrophosphatase) 		4 HIS A 348
ASP A 346
PRO A 351
VAL A 332
 None
 0.94A 4hvrA-5cuyA:
undetectable		 4hvrA-5cuyA:
17.79
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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		4 ASP A 180
GLU A 215
HIS A 325
GLU A 214
 CO  A 401 ( 2.3A)
CO  A 401 (-2.0A)
CO  A 401 (-3.3A)
CO  A 402 (-3.4A)
 0.98A 4hvrA-5ds0A:
undetectable		 4hvrA-5ds0A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 4 HIS A  33
ASP A  35
HIS A  16
PRO A  17
 GOL  A 201 (-3.5A)
GOL  A 201 (-3.6A)
GOL  A 201 (-3.8A)
None
 1.12A 4hvrA-5duyA:
undetectable		 4hvrA-5duyA:
19.90
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.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 4 HIS A 125
ASP A 127
HIS A 108
PRO A 109
 GOL  A 203 (-3.6A)
None
GOL  A 203 (-3.8A)
None
 1.08A 4hvrA-5duyA:
undetectable		 4hvrA-5duyA:
19.90
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.
5f8y GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 4 HIS A  33
ASP A  35
HIS A  16
PRO A  17
 X6X  A 203 (-3.7A)
X6X  A 203 (-3.6A)
X6X  A 203 (-3.7A)
None
 1.06A 4hvrA-5f8yA:
undetectable		 4hvrA-5f8yA:
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.
5f8y GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 4 HIS A 125
ASP A 127
HIS A 108
PRO A 109
 X6X  A 202 (-3.7A)
X6X  A 202 (-3.6A)
X6X  A 202 (-3.8A)
None
 1.07A 4hvrA-5f8yA:
undetectable		 4hvrA-5f8yA:
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		4 ASP A 226
GLU A 261
HIS A 366
GLU A 260
 ZN  A 402 ( 2.8A)
ZN  A 401 (-2.6A)
ZN  A 401 (-3.7A)
ZN  A 402 ( 3.7A)
 1.04A 4hvrA-5gneA:
undetectable		 4hvrA-5gneA:
17.66
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.
5hkq CDII IMMUNITY
PROTEIN
CONTACT-DEPENDENT
INHIBITOR A

(Escherichia
coli) 		PF14436
(EndoU_bacteria)
no annotation 		4 HIS A 321
ASP I  48
HIS A 204
GLU A 260
 None
 1.10A 4hvrA-5hkqA:
undetectable		 4hvrA-5hkqA:
19.46
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.
5igp MACROLIDE
2'-PHOSPHOTRANSFERAS
E

(Escherichia
coli) 		PF01636
(APH) 		4 ASP A 219
HIS A 198
VAL A  69
GLU A  66
 GDP  A 401 (-2.6A)
None
None
None
 1.12A 4hvrA-5igpA:
undetectable		 4hvrA-5igpA:
19.45
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLU A  66
HIS A  68
PRO A  69
VAL A  93
 None
 1.12A 4hvrA-5ihrA:
undetectable		 4hvrA-5ihrA:
10.29
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.
5jm6 AMINOPEPTIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF02127
(Peptidase_M18) 		4 ASP A 306
GLU A 340
HIS A 485
GLU A 339
 ZN  A 601 ( 2.1A)
ZN  A 601 (-1.8A)
ZN  A 601 (-3.0A)
ZN  A 602 (-3.5A)
 1.06A 4hvrA-5jm6A:
undetectable		 4hvrA-5jm6A:
18.14
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.
5m22 HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 4 GLU B 264
HIS B 305
VAL B 317
GLU B 319
 FE  B 401 (-2.2A)
FE  B 401 (-3.3A)
None
None
 0.78A 4hvrA-5m22B:
7.9		 4hvrA-5m22B:
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.
5m22 HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 4 HIS B 258
GLU B 264
HIS B 305
GLU B 319
 FE  B 401 (-3.1A)
FE  B 401 (-2.2A)
FE  B 401 (-3.3A)
None
 0.69A 4hvrA-5m22B:
7.9		 4hvrA-5m22B:
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A 269
PRO A 127
VAL A 266
GLU A 223
 None
 0.95A 4hvrA-5nccA:
undetectable		 4hvrA-5nccA:
14.77
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.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 4 HIS A  33
ASP A  35
HIS A  16
PRO A  17
 GOL  A 201 (-3.7A)
None
GOL  A 201 (-4.0A)
None
 1.06A 4hvrA-5vbkA:
undetectable		 4hvrA-5vbkA:
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.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 4 HIS A 125
ASP A 127
HIS A 108
PRO A 109
 GOL  A 202 (-3.8A)
None
GOL  A 202 (-3.9A)
None
 1.09A 4hvrA-5vbkA:
undetectable		 4hvrA-5vbkA:
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.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 4 HIS A 767
ASP A 748
VAL A  17
GLU A 746
 None
 0.94A 4hvrA-5vm9A:
undetectable		 4hvrA-5vm9A:
12.67
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 ASP A 200
GLU A 277
HIS A 201
VAL A 303
 CA  A1006 (-3.4A)
CA  A1006 (-3.3A)
None
None
 0.97A 4hvrA-5wmmA:
undetectable		 4hvrA-5wmmA:
26.40
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.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		4 HIS A  33
ASP A  35
HIS A  16
PRO A  17
 A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-3.7A)
None
 1.06A 4hvrA-5xg5A:
undetectable		 4hvrA-5xg5A:
20.32
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.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		4 HIS A  81
ASP A  83
HIS A  64
PRO A  65
 A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-3.7A)
None
 1.10A 4hvrA-5xg5A:
undetectable		 4hvrA-5xg5A:
20.32
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.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		4 HIS A 129
ASP A 131
HIS A 112
PRO A 113
 A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-3.7A)
None
 1.05A 4hvrA-5xg5A:
undetectable		 4hvrA-5xg5A:
20.32
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.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		4 ASP A  91
GLU A 125
HIS A 326
GLU A 124
 None
LYS  A 401 (-3.7A)
None
LYS  A 401 (-3.0A)
 0.96A 4hvrA-5xoyA:
undetectable		 4hvrA-5xoyA:
18.01
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.
5xxu RIBOSOMAL PROTEIN
ES27
RIBOSOMAL PROTEIN
US8

(Toxoplasma
gondii) 		PF00410
(Ribosomal_S8)
PF01015
(Ribosomal_S3Ae) 		4 HIS b   7
PRO b   8
VAL W  62
GLU W  51
 None
 1.11A 4hvrA-5xxub:
undetectable		 4hvrA-5xxub:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 4 HIS A 208
ASP A 204
HIS A 273
VAL A 161
 MN  A 501 ( 3.5A)
MN  A 501 ( 2.3A)
MN  A 501 (-3.4A)
NDP  A 502 ( 4.0A)
 1.06A 4hvrA-5yvsA:
undetectable		 4hvrA-5yvsA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		4 HIS A   0
HIS A 286
VAL A 234
GLU A 328
 None
EDO  A 401 ( 4.2A)
None
None
 0.99A 4hvrA-6ao1A:
undetectable		 4hvrA-6ao1A:
19.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bvp 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		no annotation 7 HIS A  51
ASP A  53
GLU A  57
HIS A  95
PRO A  97
VAL A 108
GLU A 110
 FE2  A 202 (-3.3A)
None
FE2  A 202 (-2.2A)
FE2  A 202 (-3.4A)
None
None
FE2  A 202 ( 4.6A)
 0.46A 4hvrA-6bvpA:
29.2		 4hvrA-6bvpA:
72.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 4 HIS A 209
GLU A 122
HIS A  56
VAL A  93
 CD  A 403 ( 3.7A)
CD  A 403 (-2.4A)
ZN  A 401 ( 3.3A)
None
 0.93A 4hvrA-6fv4A:
undetectable		 4hvrA-6fv4A:
16.67