SIMILAR PATTERNS OF AMINO ACIDS FOR 5TT3_H_EZLH303_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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		4 VAL A 222
LEU A 205
THR A 204
ALA A 307
 None
 0.88A 5tt3H-1aqlA:
undetectable		 5tt3H-1aqlA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 HIS A1039
LEU A1054
THR A1050
ALA A1053
 None
 0.94A 5tt3H-1c30A:
undetectable		 5tt3H-1c30A:
12.26
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.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 VAL A1061
LEU A1164
THR A1161
ALA A1160
 None
 0.77A 5tt3H-1f20A:
undetectable		 5tt3H-1f20A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 VAL A 172
LEU A 137
THR A 134
ALA A 127
 None
 0.90A 5tt3H-1fcdA:
undetectable		 5tt3H-1fcdA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hpg GLUTAMIC ACID
SPECIFIC PROTEASE

(Streptomyces
griseus) 		no annotation 4 HIS A 213
HIS A 199
THR A 183
ALA A 190
 None
 0.85A 5tt3H-1hpgA:
undetectable		 5tt3H-1hpgA:
20.17
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
None
 0.39A 5tt3H-1jd0A:
25.4		 5tt3H-1jd0A:
29.09
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
 1.50A 5tt3H-1jd0A:
25.4		 5tt3H-1jd0A:
29.09
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.
1js1 TRANSCARBAMYLASE

(Bacteroides
fragilis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 VAL X  65
LEU X 310
THR X 307
ALA X 306
 None
 0.92A 5tt3H-1js1X:
undetectable		 5tt3H-1js1X:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		7 HIS A  92
HIS A  94
HIS A 111
VAL A 113
LEU A 176
THR A 177
TRP A 187
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
None
 0.38A 5tt3H-1kopA:
29.7		 5tt3H-1kopA:
35.98
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 HIS D 246
LEU D 124
THR D 121
ALA D 120
 FE  D   3 ( 3.3A)
None
None
None
 0.92A 5tt3H-1mtyD:
undetectable		 5tt3H-1mtyD:
17.74
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.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		4 HIS A 112
VAL A  97
LEU A 122
ALA A 125
 None
 0.85A 5tt3H-1n4oA:
undetectable		 5tt3H-1n4oA:
19.93
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.
1ni3 YCHF GTP-BINDING
PROTEIN

(Schizosaccharomyces
pombe) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		4 VAL A 192
LEU A 221
THR A 223
ALA A 224
 None
 0.92A 5tt3H-1ni3A:
undetectable		 5tt3H-1ni3A:
21.32
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.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 VAL A 674
LEU A 703
THR A 701
ALA A 702
 None
 0.93A 5tt3H-1nneA:
undetectable		 5tt3H-1nneA:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o4t PUTATIVE OXALATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF07883
(Cupin_2) 		5 HIS A  63
HIS A 102
HIS A  61
LEU A  46
ALA A 116
 MN  A 300 ( 3.2A)
MN  A 300 ( 3.4A)
MN  A 300 ( 3.3A)
None
OXL  A 400 ( 4.5A)
 1.45A 5tt3H-1o4tA:
undetectable		 5tt3H-1o4tA:
19.40
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
None
 0.48A 5tt3H-1rj6A:
25.4		 5tt3H-1rj6A:
28.83
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 VAL A1061
LEU A1164
THR A1161
ALA A1160
 None
 0.88A 5tt3H-1tllA:
undetectable		 5tt3H-1tllA:
16.64
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.
1tly NUCLEOSIDE-SPECIFIC
CHANNEL-FORMING
PROTEIN TSX

(Escherichia
coli) 		PF03502
(Channel_Tsx) 		4 HIS A 218
VAL A 232
ALA A 215
TRP A 262
 None
 0.88A 5tt3H-1tlyA:
undetectable		 5tt3H-1tlyA:
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
 0.38A 5tt3H-1urtA:
22.1		 5tt3H-1urtA:
26.88
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.
1w6f ARYLAMINE
N-ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF00797
(Acetyltransf_2) 		4 HIS A 110
VAL A 112
LEU A 135
THR A 134
 None
 0.94A 5tt3H-1w6fA:
undetectable		 5tt3H-1w6fA:
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		7 HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.43A 5tt3H-1y7wA:
23.2		 5tt3H-1y7wA:
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.
2e7p GLUTAREDOXIN

(Populus tremula
x Populus
tremuloides) 		PF00462
(Glutaredoxin) 		4 HIS A  94
VAL A  90
LEU A  40
ALA A  45
 None
 0.90A 5tt3H-2e7pA:
undetectable		 5tt3H-2e7pA:
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.43A 5tt3H-2it4A:
25.0		 5tt3H-2it4A:
29.39
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		4 HIS A  27
VAL A  24
LEU A 462
ALA A 461
 None
 0.78A 5tt3H-2ivdA:
undetectable		 5tt3H-2ivdA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2no5 (S)-2-HALOACID
DEHALOGENASE IVA

(Burkholderia
cepacia) 		PF13419
(HAD_2) 		4 VAL A  23
LEU A  69
THR A  65
ALA A  68
 None
 0.87A 5tt3H-2no5A:
undetectable		 5tt3H-2no5A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pod MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME

(Burkholderia
pseudomallei) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 369
VAL A 365
THR A 171
ALA A 172
 None
 0.81A 5tt3H-2podA:
undetectable		 5tt3H-2podA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pw9 PUTATIVE FORMATE
DEHYDROGENASE
ACCESSORY PROTEIN

(Desulfotalea
psychrophila) 		PF02634
(FdhD-NarQ) 		4 HIS A 174
VAL A 177
LEU A 201
THR A 202
 None
 0.83A 5tt3H-2pw9A:
undetectable		 5tt3H-2pw9A:
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.
2q7n LEUKEMIA INHIBITORY
FACTOR RECEPTOR

(Mus musculus) 		PF00041
(fn3) 		4 HIS A 168
VAL A 170
ALA A  98
TRP A 157
 None
 0.81A 5tt3H-2q7nA:
undetectable		 5tt3H-2q7nA:
19.54
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		4 HIS A 237
HIS A 235
HIS A 255
LEU A 202
 MET  A 600 (-3.9A)
MET  A 600 (-4.4A)
MET  A 600 ( 4.3A)
MET  A 600 (-3.7A)
 0.88A 5tt3H-2qs8A:
undetectable		 5tt3H-2qs8A:
20.74
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.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		5 HIS A 182
VAL A 155
LEU A  81
THR A 174
ALA A 175
 None
None
None
None
CL  A 336 ( 4.3A)
 1.43A 5tt3H-2quyA:
undetectable		 5tt3H-2quyA:
20.41
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.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 118
HIS A 141
LEU A 222
THR A 223
TRP A 233
 CL  A 401 (-4.2A)
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
 0.39A 5tt3H-2w2jA:
25.4		 5tt3H-2w2jA:
27.18
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.
2yz2 PUTATIVE ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0222

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 HIS A  10
VAL A   8
LEU A  49
THR A  48
 None
 0.90A 5tt3H-2yz2A:
undetectable		 5tt3H-2yz2A:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
ZN  A   1 ( 4.7A)
None
 0.47A 5tt3H-2zncA:
24.5		 5tt3H-2zncA:
31.79
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		4 HIS A  58
VAL A 309
LEU A 401
THR A 402
 None
 0.87A 5tt3H-2zukA:
undetectable		 5tt3H-2zukA:
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
synthetic
construct) 		PF00749
(tRNA-synt_1c)
PF02686
(Glu-tRNAGln) 		4 HIS C 142
VAL C 368
THR C 148
ALA C 149
 GSU  C1001 ( 4.8A)
None
GSU  C1001 (-3.0A)
None
 0.91A 5tt3H-3al0C:
undetectable		 5tt3H-3al0C:
18.73
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 HIS A 163
HIS A 165
HIS A 182
VAL A 184
LEU A 259
THR A 260
TRP A 270
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
ZN  A 378 ( 4.5A)
None
 0.46A 5tt3H-3b1bA:
24.7		 5tt3H-3b1bA:
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.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 VAL A 138
LEU A 493
THR A 489
ALA A 492
 None
 0.92A 5tt3H-3cnjA:
undetectable		 5tt3H-3cnjA:
17.84
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  95
HIS A  97
HIS A 120
VAL A 122
LEU A 199
THR A 200
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
 0.48A 5tt3H-3da2A:
25.6		 5tt3H-3da2A:
28.47
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.
3ec1 YQEH GTPASE

(Geobacillus
stearothermophilus) 		PF01926
(MMR_HSR1) 		4 HIS A 355
VAL A 353
LEU A 292
ALA A 295
 None
 0.93A 5tt3H-3ec1A:
undetectable		 5tt3H-3ec1A:
21.52
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A 111
HIS A 113
HIS A 138
VAL A 140
LEU A 219
THR A 220
TRP A 230
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.72A 5tt3H-3fe4A:
22.5		 5tt3H-3fe4A:
28.22
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 VAL A 148
LEU A 121
THR A  83
ALA A  82
 None
 0.92A 5tt3H-3ie1A:
undetectable		 5tt3H-3ie1A:
19.44
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		4 HIS A 201
LEU A 199
THR A 198
ALA A 291
 None
None
SO4  A 540 (-3.9A)
None
 0.78A 5tt3H-3ihgA:
undetectable		 5tt3H-3ihgA:
16.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 HIS A 129
LEU A 235
THR A 236
TRP A 246
 None
 0.39A 5tt3H-3jxfA:
25.6		 5tt3H-3jxfA:
30.21
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.
3l12 PUTATIVE
GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Ruegeria
pomeroyi) 		PF03009
(GDPD) 		4 HIS A  66
VAL A  53
LEU A  68
ALA A  69
 None
 0.95A 5tt3H-3l12A:
undetectable		 5tt3H-3l12A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		4 HIS A 143
VAL A  98
LEU A 160
ALA A 161
 None
 0.86A 5tt3H-3l6dA:
undetectable		 5tt3H-3l6dA:
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 HIS A 292
VAL A 196
THR A 317
ALA A 318
 None
 0.78A 5tt3H-3m07A:
undetectable		 5tt3H-3m07A:
14.52
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
None
 0.43A 5tt3H-3ml5A:
25.2		 5tt3H-3ml5A:
28.67
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, BETA
CHAIN

(Escherichia
coli) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 VAL B 331
LEU B 380
THR B 377
ALA B 376
 None
 0.57A 5tt3H-3pcoB:
undetectable		 5tt3H-3pcoB:
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 HIS A  12
VAL A 797
LEU A 806
THR A 805
 None
 0.89A 5tt3H-3pihA:
undetectable		 5tt3H-3pihA:
12.84
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		7 HIS A 123
HIS A 125
HIS A 142
VAL A 144
LEU A 214
THR A 215
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-4.9A)
 0.49A 5tt3H-3q31A:
25.6		 5tt3H-3q31A:
29.17
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.
3qbd 3-DEHYDROQUINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01761
(DHQ_synthase) 		4 HIS A  67
VAL A  42
LEU A  59
ALA A  60
 None
 0.88A 5tt3H-3qbdA:
undetectable		 5tt3H-3qbdA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  94
HIS A  96
HIS A 119
VAL A 121
THR A 198
TRP A 208
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
ZN  A 261 ( 4.4A)
None
 0.38A 5tt3H-3uyqA:
25.8		 5tt3H-3uyqA:
30.47
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		4 HIS A 744
HIS A 730
LEU A 751
ALA A 747
 ZN  A1870 ( 3.3A)
ZN  A1870 ( 3.2A)
None
None
 0.93A 5tt3H-3zdrA:
undetectable		 5tt3H-3zdrA:
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.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		5 HIS B  58
VAL B 352
LEU B  98
THR B  97
ALA B 160
 None
 1.08A 5tt3H-4ci2B:
undetectable		 5tt3H-4ci2B:
19.51
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 HIS A  75
HIS A  73
HIS A 107
VAL A 109
 None
 0.87A 5tt3H-4cnsA:
undetectable		 5tt3H-4cnsA:
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 HIS A  75
HIS A  73
HIS A 107
VAL A 109
 None
 0.88A 5tt3H-4cntA:
undetectable		 5tt3H-4cntA:
17.84
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.
4fcg UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		PF13855
(LRR_8) 		4 HIS A 169
LEU A 190
THR A 186
ALA A 189
 None
None
PO4  A 505 ( 3.5A)
None
 0.95A 5tt3H-4fcgA:
undetectable		 5tt3H-4fcgA:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		7 HIS A  89
HIS A  91
HIS A 108
VAL A 110
LEU A 173
THR A 174
TRP A 184
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
None
 0.41A 5tt3H-4g7aA:
29.7		 5tt3H-4g7aA:
38.46
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 VAL A 180
LEU A 135
THR A 132
ALA A 131
 None
 0.87A 5tt3H-4gniA:
undetectable		 5tt3H-4gniA:
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.
4ia4 AQUAPORIN

(Spinacia
oleracea) 		PF00230
(MIP) 		4 VAL A 104
LEU A 197
THR A 183
ALA A 182
 None
 0.93A 5tt3H-4ia4A:
undetectable		 5tt3H-4ia4A:
20.60
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		4 HIS A 120
HIS A  48
HIS A 234
TRP A 148
 None
 0.61A 5tt3H-4jqsA:
undetectable		 5tt3H-4jqsA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 VAL A 278
LEU A 192
THR A 189
ALA A 188
 None
 0.92A 5tt3H-4mz0A:
undetectable		 5tt3H-4mz0A:
14.14
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.
4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY

(Yersinia
frederiksenii) 		PF01758
(SBF) 		4 HIS A  71
LEU A 140
THR A 137
ALA A 136
 None
 0.90A 5tt3H-4n7wA:
undetectable		 5tt3H-4n7wA:
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.
4p0a E3 UBIQUITIN-PROTEIN
LIGASE RNF31

(Homo sapiens) 		PF09409
(PUB) 		4 HIS A 144
LEU A 151
THR A 148
ALA A 147
 None
 0.88A 5tt3H-4p0aA:
undetectable		 5tt3H-4p0aA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pbx RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set) 		4 HIS A 465
VAL A 486
THR A 473
TRP A 434
 None
 0.82A 5tt3H-4pbxA:
undetectable		 5tt3H-4pbxA:
15.01
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 VAL A 426
LEU A 484
THR A 481
ALA A 480
 None
 0.82A 5tt3H-4ptfA:
undetectable		 5tt3H-4ptfA:
11.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
None
 0.45A 5tt3H-4qk3A:
26.0		 5tt3H-4qk3A:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A 119
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
 1.43A 5tt3H-4qk3A:
26.0		 5tt3H-4qk3A:
30.66
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.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 HIS A  97
VAL A 116
THR A 183
ALA A 184
TRP A 193
 ASC  A 303 (-4.4A)
ASC  A 303 (-4.2A)
ASC  A 303 (-3.4A)
ASC  A 303 (-3.0A)
ASC  A 303 (-4.3A)
 0.42A 5tt3H-4twlA:
28.3		 5tt3H-4twlA:
29.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		7 HIS A 112
HIS A 114
HIS A 131
VAL A 133
LEU A 197
THR A 198
TRP A 208
 ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
None
 0.41A 5tt3H-4uovA:
29.8		 5tt3H-4uovA:
36.21
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		PF12940
(RAG1) 		4 HIS B 942
HIS B 937
HIS B 744
THR B 732
 ZN  B1101 (-3.2A)
ZN  B1101 (-3.2A)
None
None
 0.94A 5tt3H-4wwxB:
undetectable		 5tt3H-4wwxB:
16.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		7 HIS A  89
HIS A  91
HIS A 108
VAL A 110
LEU A 173
THR A 174
TRP A 184
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
None
 0.43A 5tt3H-4x5sA:
29.8		 5tt3H-4x5sA:
37.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		8 HIS A 110
HIS A 112
HIS A 129
VAL A 131
LEU A 190
THR A 191
ALA A 192
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
None
ZN  A 301 (-4.3A)
None
None
 0.48A 5tt3H-4xfwA:
37.5		 5tt3H-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		5 HIS A 129
HIS A 112
VAL A 141
LEU A 190
ALA A 192
 ZN  A 301 ( 3.1A)
ZN  A 301 (-3.4A)
None
None
None
 1.43A 5tt3H-4xfwA:
37.5		 5tt3H-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 HIS A 160
HIS A 162
HIS A 179
VAL A 181
LEU A 253
THR A 254
TRP A 264
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
None
 0.45A 5tt3H-4xixA:
25.2		 5tt3H-4xixA:
32.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 HIS A 160
HIS A 162
VAL A 181
LEU A 253
THR A 255
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
 1.49A 5tt3H-4xixA:
25.2		 5tt3H-4xixA:
32.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		7 HIS A 165
HIS A 167
HIS A 184
VAL A 186
LEU A 251
THR A 252
TRP A 262
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
None
 0.40A 5tt3H-4xz5A:
29.0		 5tt3H-4xz5A:
35.27
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.
4yg7 SERINE/THREONINE-PRO
TEIN KINASE HIPA

(Escherichia
coli) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		4 HIS D 430
VAL D 426
LEU D 403
ALA D 402
 None
 0.69A 5tt3H-4yg7D:
undetectable		 5tt3H-4yg7D:
18.54
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.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 4 VAL A 146
LEU A 118
THR A  99
ALA A  98
 None
 0.90A 5tt3H-4zejA:
undetectable		 5tt3H-4zejA:
21.19
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.
5aiz ZINC FINGER MIZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 4 HIS A  29
LEU A  36
THR A  33
ALA A  32
 ACT  A1114 (-4.3A)
None
ACT  A1114 ( 4.3A)
None
 0.90A 5tt3H-5aizA:
undetectable		 5tt3H-5aizA:
19.91
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.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
None
 0.44A 5tt3H-5cjfA:
25.3		 5tt3H-5cjfA:
28.37
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.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 HIS A 151
LEU A 256
THR A 257
TRP A 267
 None
 0.47A 5tt3H-5e5uA:
25.4		 5tt3H-5e5uA:
29.35
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		7 HIS X  93
HIS X  95
HIS X 118
VAL X 120
LEU X 196
THR X 197
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
None
ZN  X 301 ( 4.4A)
None
 0.45A 5tt3H-5eztX:
25.4		 5tt3H-5eztX:
28.11
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 HIS X  93
HIS X 118
LEU X 196
THR X 197
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
ZN  X 301 ( 4.4A)
None
 1.48A 5tt3H-5eztX:
25.4		 5tt3H-5eztX:
28.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		7 HIS A  96
HIS A  98
HIS A 115
VAL A 117
LEU A 181
THR A 182
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
None
 0.49A 5tt3H-5hpjA:
28.3		 5tt3H-5hpjA:
36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
HIS A 115
LEU A 181
THR A 182
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
 1.50A 5tt3H-5hpjA:
28.3		 5tt3H-5hpjA:
36.13
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.
5hxy TYROSINE RECOMBINASE
XERA

(Thermoplasma
acidophilum) 		PF00589
(Phage_integrase)
PF13495
(Phage_int_SAM_4) 		4 HIS A 233
LEU A 240
THR A 237
ALA A 236
 None
 0.90A 5tt3H-5hxyA:
undetectable		 5tt3H-5hxyA:
20.69
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
None
 0.41A 5tt3H-5jn9A:
24.3		 5tt3H-5jn9A:
28.26
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.
5ks1 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Vibrio
vulnificus) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 HIS A 180
VAL A 260
LEU A 173
ALA A 241
 None
 0.88A 5tt3H-5ks1A:
undetectable		 5tt3H-5ks1A:
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.
5lj3 PRP46

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 HIS J 307
LEU J 356
THR J 314
ALA J 313
 None
 0.86A 5tt3H-5lj3J:
undetectable		 5tt3H-5lj3J:
17.32
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		4 HIS A  58
VAL A 309
LEU A 401
THR A 402
 None
 0.95A 5tt3H-5m49A:
undetectable		 5tt3H-5m49A:
16.93
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.
5mb9 PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 VAL A 180
LEU A 135
THR A 132
ALA A 131
 None
 0.89A 5tt3H-5mb9A:
undetectable		 5tt3H-5mb9A:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 VAL A 280
LEU A 428
THR A 424
ALA A 427
 MGD  A2002 (-4.6A)
None
None
None
 0.87A 5tt3H-5nqdA:
undetectable		 5tt3H-5nqdA:
17.75
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.
5oy0 PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI

(Synechocystis
sp. PCC 6803) 		no annotation 4 VAL 0  53
LEU 0  96
THR 0  93
ALA 0  92
 CLA  0 202 (-3.1A)
BCR  0 204 (-4.0A)
None
BCR  0 204 ( 3.5A)
 0.90A 5tt3H-5oy00:
undetectable		 5tt3H-5oy00:
17.47
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		4 HIS A  90
VAL A  92
LEU A  62
ALA A  59
 None
None
None
NAD  A 401 ( 4.6A)
 0.92A 5tt3H-5uibA:
undetectable		 5tt3H-5uibA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zvs VP2

(Aquareovirus C) 		no annotation 4 HIS 21206
HIS 21205
THR 21113
ALA 21112
 None
 0.85A 5tt3H-5zvs2:
undetectable		 5tt3H-5zvs2:
15.81
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 HIS A 942
HIS A 937
HIS A 744
THR A 732
 ZN  A1101 (-3.3A)
ZN  A1101 (-3.4A)
None
None
 0.89A 5tt3H-6cg0A:
undetectable		 5tt3H-6cg0A:
14.22
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 4 HIS L  99
LEU L  70
THR L  67
ALA L  69
 None
None
FCO  L 601 (-4.2A)
None
 0.88A 5tt3H-6ehsL:
undetectable		 5tt3H-6ehsL:
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 7 HIS A 117
HIS A 119
HIS A 136
VAL A 138
LEU A 201
THR A 202
TRP A 212
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 (-4.4A)
None
 0.46A 5tt3H-6ekiA:
29.8		 5tt3H-6ekiA:
17.03
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
None
 0.47A 5tt3H-6fe1A:
24.7		 5tt3H-6fe1A:
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.
6h25 -

(-) 		no annotation 4 HIS B 235
VAL B 231
LEU B 144
ALA B  39
 None
 0.89A 5tt3H-6h25B:
undetectable		 5tt3H-6h25B:
undetectable