SIMILAR PATTERNS OF AMINO ACIDS FOR 3W6H_A_AZMA303_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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		4 HIS A  80
HIS A 128
HIS A  79
HIS A 270
 CUZ  A4801 (-3.3A)
CUZ  A4801 (-3.2A)
CUZ  A4801 (-3.2A)
CUZ  A4801 (-3.2A)
 1.05A 3w6hA-1fwxA:
undetectable		 3w6hA-1fwxA:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
None
 0.40A 3w6hA-1jd0A:
35.5		 3w6hA-1jd0A:
37.08
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.
1joe AUTOINDUCER-2
PRODUCTION PROTEIN

(Haemophilus
influenzae) 		PF02664
(LuxS) 		4 GLN A 117
HIS A 134
HIS A  54
HIS A  58
 None
None
ZN  A 205 (-3.3A)
ZN  A 205 (-3.4A)
 1.05A 3w6hA-1joeA:
undetectable		 3w6hA-1joeA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A1022
HIS A 103
HIS A 978
LEU A1018
HIS A 163
 CU  A1051 (-3.2A)
CU  A1051 (-3.3A)
CU  A1052 ( 3.2A)
None
CU  A1050 (-3.3A)
 1.38A 3w6hA-1kcwA:
undetectable		 3w6hA-1kcwA:
12.69
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) 		6 GLN A  69
HIS A  92
HIS A  94
HIS A 111
LEU A 176
THR A 177
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
 0.91A 3w6hA-1kopA:
29.5		 3w6hA-1kopA:
32.82
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 GLN A  90
HIS A  92
HIS A  94
HIS A 111
LEU A 176
THR A 177
TRP A 187
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
None
 0.48A 3w6hA-1kopA:
29.5		 3w6hA-1kopA:
32.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 4 HIS A  80
HIS A 128
HIS A  79
HIS A 270
 CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.3A)
 1.03A 3w6hA-1qniA:
undetectable		 3w6hA-1qniA:
16.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
HIS A  96
LEU A 198
THR A 199
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 0.92A 3w6hA-1rj6A:
36.1		 3w6hA-1rj6A:
35.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
None
 0.46A 3w6hA-1rj6A:
36.1		 3w6hA-1rj6A:
35.36
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 GLN A 514
HIS A 518
HIS A 709
HIS A 523
 None
FE2  A 858 ( 3.4A)
FE2  A 858 ( 3.4A)
FE2  A 858 ( 3.3A)
 0.73A 3w6hA-1rrhA:
undetectable		 3w6hA-1rrhA:
14.29
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		4 HIS A 277
HIS A 263
THR A 199
HIS A 200
 ZN  A 387 (-3.3A)
ZN  A 387 ( 3.3A)
None
ZN  A 387 ( 3.3A)
 0.99A 3w6hA-1rrmA:
undetectable		 3w6hA-1rrmA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to5 SUPEROXIDE DISMUTASE

(Schistosoma
mansoni) 		PF00080
(Sod_Cu) 		4 HIS A  62
HIS A  45
HIS A  70
HIS A 119
 ZN  A 711 ( 3.1A)
CU  A 712 (-3.3A)
ZN  A 711 (-3.1A)
CU  A 712 (-3.2A)
 1.03A 3w6hA-1to5A:
undetectable		 3w6hA-1to5A:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
HIS A  96
HIS A 119
THR A 199
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 ( 4.9A)
 1.02A 3w6hA-1urtA:
36.7		 3w6hA-1urtA:
44.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
None
 0.46A 3w6hA-1urtA:
36.7		 3w6hA-1urtA:
44.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		7 GLN A 113
HIS A 115
HIS A 117
HIS A 135
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.39A 3w6hA-1y7wA:
25.2		 3w6hA-1y7wA:
30.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yht DSPB

(Aggregatibacter
actinomycetemcomitans) 		PF00728
(Glyco_hydro_20) 		4 HIS A 179
HIS A  51
LEU A 270
THR A 235
 None
 1.06A 3w6hA-1yhtA:
undetectable		 3w6hA-1yhtA:
21.35
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.
1z9n SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		4 HIS A  95
HIS A  70
HIS A 104
HIS A 151
 ZN  A 201 ( 3.1A)
CU  A 200 (-3.1A)
ZN  A 201 (-3.1A)
CU  A 200 (-3.2A)
 1.06A 3w6hA-1z9nA:
undetectable		 3w6hA-1z9nA:
24.62
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.
1z9p SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		4 HIS A  95
HIS A  70
HIS A 104
HIS A 151
 ZN  A 201 ( 3.1A)
CU  A 200 (-3.1A)
ZN  A 201 (-3.1A)
CU  A 200 (-3.2A)
 1.05A 3w6hA-1z9pA:
undetectable		 3w6hA-1z9pA:
24.52
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.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		4 HIS A  85
HIS A  60
HIS A  94
HIS A 141
 ZN  A 400 (-3.2A)
CU  A 402 ( 3.3A)
ZN  A 400 ( 3.1A)
CU  A 402 ( 3.1A)
 1.06A 3w6hA-2apsA:
undetectable		 3w6hA-2apsA:
22.90
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 4 HIS C 104
HIS C  79
HIS C 113
HIS C 160
 ZN  C 201 ( 3.1A)
CU1  C 200 (-3.1A)
ZN  C 201 (-3.2A)
CU1  C 200 (-3.2A)
 1.04A 3w6hA-2aqtC:
undetectable		 3w6hA-2aqtC:
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.
2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH

(Desulfovibrio
vulgaris) 		PF01814
(Hemerythrin) 		4 GLN A  22
HIS A  59
HIS A  82
LEU A  66
 None
FEO  A 137 (-3.4A)
FEO  A 137 (-3.3A)
None
 1.05A 3w6hA-2awcA:
undetectable		 3w6hA-2awcA:
17.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 GLN A  92
HIS A  94
HIS A  96
HIS A  64
 None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
None
 0.95A 3w6hA-2it4A:
45.0		 3w6hA-2it4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
HIS A 200
TRP A 209
 None
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)
PPF  A 500 (-3.9A)
None
 0.33A 3w6hA-2it4A:
45.0		 3w6hA-2it4A:
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 GLN A 509
HIS A 513
HIS A 704
HIS A 518
 None
FE  A1854 (-3.5A)
FE  A1854 (-3.5A)
FE  A1854 (-3.4A)
 0.78A 3w6hA-2iujA:
undetectable		 3w6hA-2iujA:
15.73
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 GLN A 521
HIS A 525
HIS A 716
HIS A 530
 None
FE  A 901 (-3.3A)
FE  A 901 (-3.5A)
FE  A 901 (-3.5A)
 0.86A 3w6hA-2iukA:
undetectable		 3w6hA-2iukA:
14.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLN A  81
HIS A  78
HIS A  76
HIS A 137
HIS A 285
 None
ZN  A 493 (-3.2A)
ZN  A 493 (-3.5A)
None
ZN  A 493 (-3.5A)
 1.07A 3w6hA-2pajA:
undetectable		 3w6hA-2pajA:
19.69
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.
2q7t PROTEIN TRAI

(Escherichia
coli) 		PF08751
(TrwC) 		4 GLN A 155
HIS A 157
HIS A 159
HIS A 146
 None
MG  A5001 (-3.9A)
MG  A5001 (-3.7A)
MG  A5001 (-3.8A)
 0.77A 3w6hA-2q7tA:
undetectable		 3w6hA-2q7tA:
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.
2qe9 UNCHARACTERIZED
PROTEIN YIZA

(Bacillus
subtilis) 		PF05163
(DinB) 		4 GLN A 131
HIS A 128
HIS A  44
HIS A 124
 None
NI  A 200 ( 3.4A)
NI  A 200 ( 3.3A)
NI  A 200 ( 3.3A)
 1.03A 3w6hA-2qe9A:
undetectable		 3w6hA-2qe9A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		4 GLN A 332
HIS A  69
HIS A  71
LEU A 202
 None
MG  A 500 (-3.6A)
MG  A 500 (-3.4A)
MET  A 600 (-3.7A)
 0.97A 3w6hA-2qs8A:
undetectable		 3w6hA-2qs8A:
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.
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)
 0.84A 3w6hA-2qs8A:
undetectable		 3w6hA-2qs8A:
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		4 HIS A 255
HIS A 237
HIS A 235
LEU A 202
 MET  A 600 ( 4.3A)
MET  A 600 (-3.9A)
MET  A 600 (-4.4A)
MET  A 600 (-3.7A)
 1.04A 3w6hA-2qs8A:
undetectable		 3w6hA-2qs8A:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 0.27A 3w6hA-2w2jA:
35.1		 3w6hA-2w2jA:
37.93
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
ZN  A   1 ( 4.7A)
None
 0.47A 3w6hA-2zncA:
30.3		 3w6hA-2zncA:
32.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ah5 THYMIDYLATE SYNTHASE
THYX

(Helicobacter
pylori) 		PF02511
(Thy1) 		4 HIS A 231
HIS A 234
LEU A 196
THR A 195
 None
SO4  A  10 (-4.7A)
FAD  A 240 (-4.4A)
None
 1.05A 3w6hA-3ah5A:
undetectable		 3w6hA-3ah5A:
20.57
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 GLN A 115
HIS A 163
HIS A 165
HIS A 182
LEU A 259
THR A 260
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
ZN  A 378 ( 4.5A)
 0.85A 3w6hA-3b1bA:
24.7		 3w6hA-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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 GLN A 161
HIS A 163
HIS A 165
HIS A 182
LEU A 259
THR A 260
TRP A 270
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
ZN  A 378 ( 4.5A)
None
 0.41A 3w6hA-3b1bA:
24.7		 3w6hA-3b1bA:
25.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 GLN A  93
HIS A  95
HIS A  97
LEU A 199
 4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 (-4.2A)
 0.82A 3w6hA-3da2A:
42.1		 3w6hA-3da2A:
59.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  95
HIS A  97
HIS A 120
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 (-4.2A)
4MD  A 401 (-3.2A)
None
 0.48A 3w6hA-3da2A:
42.1		 3w6hA-3da2A:
59.54
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 GLN A 753
HIS A 757
HIS A 943
HIS A 762
 None
FE2  A1099 (-3.1A)
FE2  A1099 (-3.1A)
FE2  A1099 (-3.4A)
 0.86A 3w6hA-3dy5A:
undetectable		 3w6hA-3dy5A:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ejb BIOTIN BIOSYNTHESIS
CYTOCHROME P450-LIKE
ENZYME

(Bacillus
subtilis) 		PF00067
(p450) 		4 GLN B 123
HIS B 116
LEU B 361
THR B 360
 None
 0.91A 3w6hA-3ejbB:
undetectable		 3w6hA-3ejbB:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A 109
HIS A 111
HIS A 113
HIS A 138
LEU A 219
THR A 220
TRP A 230
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
 0.73A 3w6hA-3fe4A:
30.3		 3w6hA-3fe4A:
34.69
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		4 HIS A  63
HIS A  61
HIS A 122
HIS A 246
 FE  A 502 (-3.1A)
FE  A 502 (-3.1A)
None
FE  A 502 ( 4.8A)
 1.03A 3w6hA-3g77A:
undetectable		 3w6hA-3g77A:
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.
3gor PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Geobacillus
stearothermophilus) 		PF05163
(DinB) 		4 GLN A 134
HIS A 131
HIS A  47
HIS A 127
 None
NI  A 200 (-3.4A)
NI  A 200 (-3.5A)
NI  A 200 (-3.3A)
 1.05A 3w6hA-3gorA:
undetectable		 3w6hA-3gorA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLN A  98
HIS A  95
HIS A  93
HIS A 153
 None
ZN  A 480 (-3.3A)
ZN  A 480 (-3.3A)
None
 0.96A 3w6hA-3hpaA:
undetectable		 3w6hA-3hpaA:
19.80
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
 0.22A 3w6hA-3jxfA:
32.4		 3w6hA-3jxfA:
31.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 GLN A  67
HIS A  94
HIS A  96
THR A 199
 None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-3.4A)
 0.89A 3w6hA-3ml5A:
40.5		 3w6hA-3ml5A:
50.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
None
 0.38A 3w6hA-3ml5A:
40.5		 3w6hA-3ml5A:
50.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mnd SUPEROXIDE DISMUTASE
[CU-ZN]

(Taenia solium) 		PF00080
(Sod_Cu) 		4 HIS A  60
HIS A  43
HIS A  68
HIS A 117
 ZN  A 153 ( 3.1A)
CU  A 155 (-3.1A)
ZN  A 153 (-3.4A)
CU  A 155 (-3.4A)
 1.06A 3w6hA-3mndA:
undetectable		 3w6hA-3mndA:
20.38
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		4 HIS A 277
HIS A 263
THR A 197
HIS A 198
 NAD  A1385 ( 3.6A)
FE2  A 501 (-3.3A)
None
FE2  A 501 (-3.3A)
 0.95A 3w6hA-3ox4A:
undetectable		 3w6hA-3ox4A:
22.25
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.
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		4 HIS A 117
HIS A  93
LEU A 211
THR A  49
 None
 1.02A 3w6hA-3pkjA:
undetectable		 3w6hA-3pkjA:
22.04
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		5 GLN A 102
HIS A 123
HIS A 125
HIS A 142
THR A 215
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
 0.82A 3w6hA-3q31A:
23.6		 3w6hA-3q31A:
28.77
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		7 GLN A 121
HIS A 123
HIS A 125
HIS A 142
LEU A 214
THR A 215
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-4.9A)
 0.44A 3w6hA-3q31A:
23.6		 3w6hA-3q31A:
28.77
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		5 HIS A 123
HIS A 142
LEU A 214
THR A 215
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-4.9A)
 1.50A 3w6hA-3q31A:
23.6		 3w6hA-3q31A:
28.77
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 4 HIS A 130
HIS A 178
HIS A 129
HIS A 326
 CUK  A 702 (-3.2A)
CUK  A 702 (-3.1A)
CUK  A 702 (-3.5A)
CUK  A 702 (-3.1A)
 0.94A 3w6hA-3sbqA:
undetectable		 3w6hA-3sbqA:
16.54
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 198
TRP A 208
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
ZN  A 261 ( 4.4A)
None
 0.48A 3w6hA-3uyqA:
40.9		 3w6hA-3uyqA:
54.23
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.
3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		4 HIS A 117
HIS A  93
LEU A 211
THR A  49
 None
 0.99A 3w6hA-3zg6A:
undetectable		 3w6hA-3zg6A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A 183
HIS A 179
HIS A 209
HIS A  69
 CUO  A9001 (-3.4A)
CUO  A9001 (-3.4A)
None
CUO  A9001 (-3.1A)
 1.04A 3w6hA-4bedA:
undetectable		 3w6hA-4bedA:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A1428
HIS A1424
HIS A1454
HIS A1320
 CUO  A9004 (-3.4A)
CUO  A9004 (-3.0A)
None
CUO  A9004 (-3.5A)
 1.06A 3w6hA-4bedA:
undetectable		 3w6hA-4bedA:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B1851
HIS B1847
HIS B1877
HIS B1734
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.2A)
None
CUO  B9005 (-3.4A)
 1.05A 3w6hA-4bedB:
undetectable		 3w6hA-4bedB:
9.18
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2264
HIS B2260
HIS B2290
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.3A)
 1.02A 3w6hA-4bedB:
undetectable		 3w6hA-4bedB:
9.18
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2674
HIS B2670
HIS B2700
HIS B2570
 CUO  B9007 (-3.4A)
CUO  B9007 (-3.4A)
None
CUO  B9007 (-3.3A)
 1.05A 3w6hA-4bedB:
undetectable		 3w6hA-4bedB:
9.18
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.
4bzg ALDOSE 1-EPIMERASE

(Bacillus
subtilis) 		PF01263
(Aldose_epim) 		4 HIS A 101
LEU A  63
THR A  62
HIS A 177
 MAL  A 500 (-4.4A)
MAL  A 500 ( 4.5A)
MAL  A 500 (-4.1A)
MAL  A 500 (-4.0A)
 1.02A 3w6hA-4bzgA:
undetectable		 3w6hA-4bzgA:
22.35
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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 HIS A 242
HIS A 164
LEU A 239
THR A 240
 None
 1.05A 3w6hA-4dyjA:
undetectable		 3w6hA-4dyjA:
20.81
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 GLN A  87
HIS A  89
HIS A  91
HIS A 108
LEU A 173
THR A 174
TRP A 184
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
None
 0.38A 3w6hA-4g7aA:
28.7		 3w6hA-4g7aA:
31.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		4 HIS A 120
HIS A  48
HIS A 234
TRP A 148
 None
 0.63A 3w6hA-4jqsA:
undetectable		 3w6hA-4jqsA:
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		4 HIS A 127
HIS A 126
HIS A 171
TRP A 224
 None
GOL  A 622 (-3.3A)
GOL  A 622 (-4.2A)
GOL  A 622 (-4.5A)
 0.88A 3w6hA-4pspA:
undetectable		 3w6hA-4pspA:
20.43
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
 0.38A 3w6hA-4qk3A:
39.0		 3w6hA-4qk3A:
58.85
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 HIS A 185
HIS A 253
HIS A 187
LEU A 349
HIS A 321
 ZN  A 501 (-3.6A)
ZN  A 501 ( 3.5A)
ZN  A 501 ( 3.4A)
3PE  A 503 ( 4.6A)
3PE  A 503 (-3.8A)
 1.49A 3w6hA-4qn9A:
undetectable		 3w6hA-4qn9A:
20.50
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 HIS A 185
HIS A 253
HIS A 187
LEU A 349
HIS A 343
 ZN  A 501 (-3.6A)
ZN  A 501 ( 3.5A)
ZN  A 501 ( 3.4A)
3PE  A 503 ( 4.6A)
ZN  A 502 ( 3.6A)
 1.43A 3w6hA-4qn9A:
undetectable		 3w6hA-4qn9A:
20.50
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		4 HIS A  58
HIS A  56
HIS A 117
HIS A 241
 FE2  A 502 ( 3.5A)
FE2  A 502 (-3.4A)
None
FE2  A 502 ( 3.7A)
 1.04A 3w6hA-4r85A:
undetectable		 3w6hA-4r85A:
20.10
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) 		4 GLN A 110
HIS A  87
LEU A 197
THR A 199
 CL  A 304 ( 3.7A)
CL  A 304 ( 4.9A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
 0.87A 3w6hA-4uovA:
30.3		 3w6hA-4uovA:
36.50
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) 		5 GLN A 110
HIS A 112
HIS A 114
HIS A 131
HIS A  87
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
CL  A 304 ( 4.9A)
 1.07A 3w6hA-4uovA:
30.3		 3w6hA-4uovA:
36.50
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 GLN A 110
HIS A 112
HIS A 114
HIS A 131
LEU A 197
THR A 198
TRP A 208
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
None
 0.42A 3w6hA-4uovA:
30.3		 3w6hA-4uovA:
36.50
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.
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
 0.83A 3w6hA-4wwxB:
undetectable		 3w6hA-4wwxB:
16.99
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) 		4 GLN A  67
HIS A  89
HIS A  91
THR A 174
 None
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.3A)
 0.89A 3w6hA-4x5sA:
28.8		 3w6hA-4x5sA:
38.10
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 GLN A  87
HIS A  89
HIS A  91
HIS A 108
LEU A 173
THR A 174
TRP A 184
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
None
 0.37A 3w6hA-4x5sA:
28.8		 3w6hA-4x5sA:
38.10
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.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 HIS A 110
HIS A 112
HIS A 129
LEU A 190
THR A 191
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
ZN  A 301 (-4.3A)
None
 0.42A 3w6hA-4xfwA:
25.6		 3w6hA-4xfwA:
29.63
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 GLN A 138
HIS A 160
HIS A 162
LEU A 253
THR A 254
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
 0.85A 3w6hA-4xixA:
26.1		 3w6hA-4xixA:
32.10
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 GLN A 158
HIS A 160
HIS A 162
HIS A 179
LEU A 253
THR A 254
TRP A 264
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
None
 0.46A 3w6hA-4xixA:
26.1		 3w6hA-4xixA:
32.10
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 GLN A 163
HIS A 165
HIS A 167
HIS A 184
LEU A 251
THR A 252
TRP A 262
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
None
 0.44A 3w6hA-4xz5A:
29.2		 3w6hA-4xz5A:
34.44
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.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 HIS A 153
HIS A 121
HIS A 116
HIS A 298
 ZN  A 401 ( 3.2A)
ZN  A 401 (-3.4A)
ZN  A 401 ( 3.5A)
ZN  A 402 (-3.4A)
 1.03A 3w6hA-4ymkA:
undetectable		 3w6hA-4ymkA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 HIS A 157
HIS A 125
HIS A 120
HIS A 302
 ZN  A 401 ( 3.2A)
ZN  A 401 (-3.2A)
ZN  A 401 ( 3.3A)
ZN  A 402 (-3.5A)
 1.01A 3w6hA-4zyoA:
undetectable		 3w6hA-4zyoA:
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 HIS A 157
HIS A 161
HIS A 125
HIS A 298
 ZN  A 401 ( 3.2A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.3A)
 1.03A 3w6hA-4zyoA:
undetectable		 3w6hA-4zyoA:
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.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 4 HIS A  95
HIS A 157
HIS A  97
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.3A)
ZN  A2001 ( 3.0A)
ZN  A2002 ( 3.0A)
 1.04A 3w6hA-5b3rA:
undetectable		 3w6hA-5b3rA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
HIS A  96
HIS A 119
THR A 199
 GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.4A)
 0.86A 3w6hA-5cjfA:
35.7		 3w6hA-5cjfA:
34.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
None
 0.39A 3w6hA-5cjfA:
35.7		 3w6hA-5cjfA:
34.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e57 TRANSCRIPTION
REGULATOR AMTR

(Mycolicibacterium
smegmatis) 		PF00440
(TetR_N) 		4 LEU A  33
THR A  36
HIS A  37
TRP A 114
 None
 0.96A 3w6hA-5e57A:
undetectable		 3w6hA-5e57A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.30A 3w6hA-5e5uA:
32.5		 3w6hA-5e5uA:
29.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		7 GLN X  91
HIS X  93
HIS X  95
HIS X 118
LEU X 196
THR X 197
TRP X 207
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
ZN  X 301 ( 4.4A)
None
 0.40A 3w6hA-5eztX:
41.5		 3w6hA-5eztX:
57.69
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		4 GLN A 474
HIS A 469
HIS A 289
HIS A 284
 None
MN  A 606 (-3.3A)
MN  A 606 (-3.4A)
MN  A 606 (-3.7A)
 0.99A 3w6hA-5fnoA:
undetectable		 3w6hA-5fnoA:
18.91
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 GLN A  94
HIS A  96
HIS A  98
HIS A 115
LEU A 181
THR A 182
TRP A 192
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
 0.48A 3w6hA-5hpjA:
28.4		 3w6hA-5hpjA:
31.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 GLN A  92
HIS A  64
LEU A 198
THR A 200
 EZL  A 302 (-4.3A)
None
EZL  A 302 (-3.5A)
EZL  A 302 (-3.9A)
 1.05A 3w6hA-5jn9A:
31.1		 3w6hA-5jn9A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
None
 0.42A 3w6hA-5jn9A:
31.1		 3w6hA-5jn9A:
31.75
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 GLN A 155
HIS A 157
HIS A 159
HIS A 146
 None
 1.04A 3w6hA-5n8oA:
undetectable		 3w6hA-5n8oA:
9.81
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 GLN A 495
HIS A 499
HIS A 690
HIS A 504
 None
FE2  A 901 (-3.6A)
FE2  A 901 (-3.6A)
FE2  A 901 (-3.5A)
 0.84A 3w6hA-5tr0A:
undetectable		 3w6hA-5tr0A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y79 PUTATIVE HEXOSE
PHOSPHATE
TRANSLOCATOR

(Galdieria
sulphuraria) 		PF03151
(TPT) 		4 HIS A 337
LEU A 145
THR A 293
HIS A 181
 None
 1.02A 3w6hA-5y79A:
undetectable		 3w6hA-5y79A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 3w6hA-6cg0A:
undetectable		 3w6hA-6cg0A:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 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 GLN A 115
HIS A 117
HIS A 119
HIS A 136
LEU A 201
THR A 202
TRP A 212
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
ZN  A 301 (-4.4A)
None
 0.41A 3w6hA-6ekiA:
29.9		 3w6hA-6ekiA:
15.27
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.
6eys -

(-) 		no annotation 4 HIS B 216
HIS B 423
LEU B 416
HIS B 379
 None
 1.03A 3w6hA-6eysB:
undetectable		 3w6hA-6eysB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
None
 0.52A 3w6hA-6fe1A:
32.8		 3w6hA-6fe1A:
15.83