SIMILAR PATTERNS OF AMINO ACIDS FOR 4N16_A_CHDA301

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.
1dnv GALLERIA MELLONELLA
DENSOVIRUS CAPSID
PROTEIN

(Lepidopteran
ambidensovirus
1) 		PF02336
(Denso_VP4) 		4 ILE A 107
HIS A 205
HIS A  43
THR A  40
 None
 0.86A 4n16A-1dnvA:
undetectable		 4n16A-1dnvA:
19.68
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.
1h2a HYDROGENASE

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 ILE S  32
HIS S  45
HIS S  13
THR S  18
 None
 0.91A 4n16A-1h2aS:
undetectable		 4n16A-1h2aS:
21.65
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		4 ILE A 116
PHE A 100
THR A  66
THR A  65
 None
 0.86A 4n16A-1h7wA:
undetectable		 4n16A-1h7wA:
14.20
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) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
 0.42A 4n16A-1jd0A:
36.7		 4n16A-1jd0A:
36.57
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) 		5 GLN A  69
HIS A  92
HIS A  94
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.14A 4n16A-1kopA:
29.9		 4n16A-1kopA:
33.83
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  90
HIS A  92
HIS A  94
HIS A 111
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 0.33A 4n16A-1kopA:
29.9		 4n16A-1kopA:
33.83
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 HIS A 366
HIS A 361
HIS A 541
PHE A 167
 FE2  A 840 (-3.4A)
FE2  A 840 (-3.3A)
FE2  A 840 ( 3.4A)
None
 0.87A 4n16A-1loxA:
undetectable		 4n16A-1loxA:
17.29
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.
1lvm CATALYTIC DOMAIN OF
THE NUCLEAR
INCLUSION PROTEIN A
(NIA)

(Tobacco etch
virus) 		PF00863
(Peptidase_C4) 		4 ILE A  18
HIS A 142
HIS A 167
THR A 146
 None
 0.91A 4n16A-1lvmA:
undetectable		 4n16A-1lvmA:
21.66
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.
1mfl ERB-B2 INTERACTING
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A1345
GLN A1349
PHE A1342
THR A1356
 None
 0.79A 4n16A-1mflA:
undetectable		 4n16A-1mflA:
20.09
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.
1pmp P2 MYELIN PROTEIN

(Bos taurus) 		PF00061
(Lipocalin) 		4 GLN A  95
PHE A  70
THR A  53
THR A  60
 None
None
OLA  A 200 ( 4.7A)
None
 0.86A 4n16A-1pmpA:
undetectable		 4n16A-1pmpA:
20.24
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
THR A 199
THR A 200
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 1.11A 4n16A-1rj6A:
37.4		 4n16A-1rj6A:
37.31
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) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 0.40A 4n16A-1rj6A:
37.4		 4n16A-1rj6A:
37.31
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.
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)
 0.75A 4n16A-1rrhA:
undetectable		 4n16A-1rrhA:
16.47
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 119
THR A 199
THR A 200
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 ( 4.9A)
None
 1.35A 4n16A-1urtA:
36.7		 4n16A-1urtA:
51.13
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) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 ( 4.9A)
None
 0.38A 4n16A-1urtA:
36.7		 4n16A-1urtA:
51.13
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.
1xt8 PUTATIVE AMINO-ACID
TRANSPORTER
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00497
(SBP_bac_3) 		4 ILE A 195
HIS A 176
THR A 138
THR A 139
 None
CYS  A 401 ( 4.7A)
CYS  A 401 (-4.4A)
CYS  A 401 (-3.4A)
 0.86A 4n16A-1xt8A:
undetectable		 4n16A-1xt8A:
21.36
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 ILE A 112
GLN A 113
HIS A 115
HIS A 117
HIS A 135
THR A 217
THR A 218
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.32A 4n16A-1y7wA:
26.3		 4n16A-1y7wA:
32.05
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) 		5 ILE A 112
GLN A 113
HIS A 115
HIS A 117
THR A 217
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 (-3.4A)
 0.97A 4n16A-1y7wA:
26.3		 4n16A-1y7wA:
32.05
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) 		5 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
 None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-3.6A)
 0.57A 4n16A-2it4A:
41.0		 4n16A-2it4A:
60.55
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.80A 4n16A-2iujA:
undetectable		 4n16A-2iujA:
15.85
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 567
GLN A 509
HIS A 513
HIS A 704
 None
None
FE  A1854 (-3.5A)
FE  A1854 (-3.5A)
 0.90A 4n16A-2iujA:
undetectable		 4n16A-2iujA:
15.85
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.
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)
 0.87A 4n16A-2iukA:
undetectable		 4n16A-2iukA:
16.74
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 579
GLN A 521
HIS A 525
HIS A 716
 None
None
FE  A 901 (-3.3A)
FE  A 901 (-3.5A)
 0.89A 4n16A-2iukA:
undetectable		 4n16A-2iukA:
16.74
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.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 HIS A 378
PHE A 202
THR A 306
THR A 305
 None
 0.90A 4n16A-2pq6A:
undetectable		 4n16A-2pq6A:
18.93
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) 		4 ILE A 153
HIS A 118
HIS A 141
THR A 223
 UNX  A 603 ( 4.9A)
CL  A 401 (-4.2A)
CL  A 401 (-4.1A)
CL  A 401 ( 4.8A)
 0.84A 4n16A-2w2jA:
37.5		 4n16A-2w2jA:
39.19
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 ILE A 248
HIS A 147
HIS A  64
PHE A 240
 None
 0.92A 4n16A-2xsgA:
undetectable		 4n16A-2xsgA:
14.12
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.
2yjp PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		4 ILE A 223
HIS A 204
THR A 166
THR A 167
 None
CYS  A 350 (-4.7A)
CYS  A 350 (-4.5A)
CYS  A 350 (-3.4A)
 0.81A 4n16A-2yjpA:
undetectable		 4n16A-2yjpA:
21.82
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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1

(Homo sapiens) 		PF01380
(SIS) 		4 ILE A 463
GLN A 480
THR A 425
THR A 428
 None
None
AGP  A   1 (-3.1A)
None
 0.82A 4n16A-2zj4A:
undetectable		 4n16A-2zj4A:
20.97
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) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
ZN  A   1 ( 4.7A)
None
 0.37A 4n16A-2zncA:
32.3		 4n16A-2zncA:
35.56
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 GLN A 115
HIS A 163
HIS A 165
HIS A 182
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
ZN  A 378 ( 4.5A)
None
 1.03A 4n16A-3b1bA:
25.2		 4n16A-3b1bA:
25.45
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 GLN A 161
HIS A 163
HIS A 165
HIS A 182
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
ZN  A 378 ( 4.5A)
None
 0.31A 4n16A-3b1bA:
25.2		 4n16A-3b1bA:
25.45
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.
3d5e PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE

(Homo sapiens) 		PF03403
(PAF-AH_p_II) 		4 ILE A 163
HIS A 179
HIS A 151
THR A 278
 None
 0.85A 4n16A-3d5eA:
undetectable		 4n16A-3d5eA:
18.96
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  97
PHE A 132
THR A 200
 4MD  A 401 (-3.1A)
ZN  A 301 ( 3.5A)
4MD  A 401 (-4.6A)
4MD  A 401 (-3.2A)
 0.89A 4n16A-3da2A:
42.6		 4n16A-3da2A:
60.15
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 HIS A  95
HIS A  97
HIS A 120
THR A 200
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 (-3.2A)
 0.52A 4n16A-3da2A:
42.6		 4n16A-3da2A:
60.15
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 HIS A  97
HIS A 120
PHE A 132
THR A 200
 ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 (-4.6A)
4MD  A 401 (-3.2A)
 0.22A 4n16A-3da2A:
42.6		 4n16A-3da2A:
60.15
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) 		5 GLN A 109
HIS A 111
HIS A 113
HIS A 138
THR A 220
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
 0.69A 4n16A-3fe4A:
31.4		 4n16A-3fe4A:
34.81
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) 		5 ILE A 259
HIS A 113
HIS A 138
HIS A 111
THR A 220
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
MG  A 901 (-3.4A)
None
 1.33A 4n16A-3fe4A:
31.4		 4n16A-3fe4A:
34.81
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) 		5 GLN A  67
HIS A  94
HIS A  96
THR A 199
THR A 200
 None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.09A 4n16A-3ml5A:
43.5		 4n16A-3ml5A:
55.60
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
PHE A 131
THR A 199
THR A 200
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 0.36A 4n16A-3ml5A:
43.5		 4n16A-3ml5A:
55.60
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) 		5 GLN A  92
HIS A  94
HIS A  96
PHE A 131
THR A 199
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.4A)
AZM  A 264 (-3.4A)
 1.24A 4n16A-3ml5A:
43.5		 4n16A-3ml5A:
55.60
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.
3nr3 PMP2 PROTEIN

(Homo sapiens) 		PF00061
(Lipocalin) 		4 GLN A  96
PHE A  71
THR A  54
THR A  61
 None
None
PLM  A 901 ( 4.6A)
None
 0.87A 4n16A-3nr3A:
undetectable		 4n16A-3nr3A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oxh RV0577 PROTEIN

(Mycobacterium
tuberculosis) 		PF00903
(Glyoxalase) 		4 ILE A 116
HIS A -13
HIS A -12
HIS A -11
 None
None
None
PMB  A 301 (-3.1A)
 0.88A 4n16A-3oxhA:
undetectable		 4n16A-3oxhA:
23.93
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 ILE B 380
HIS B  55
PHE B 328
THR B 181
 None
 0.90A 4n16A-3pdiB:
undetectable		 4n16A-3pdiB:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pp6 SODIUM-CALCIUM
EXCHANGER

(Doryteuthis
pealeii) 		PF00061
(Lipocalin) 		4 GLN A  96
PHE A  71
THR A  54
THR A  61
 None
None
PAM  A 133 ( 3.9A)
PAM  A 133 (-3.7A)
 0.91A 4n16A-3pp6A:
undetectable		 4n16A-3pp6A:
16.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 102
HIS A 123
HIS A 125
HIS A 142
THR A 215
THR A 216
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 1.10A 4n16A-3q31A:
24.6		 4n16A-3q31A:
30.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 121
HIS A 123
HIS A 125
HIS A 142
THR A 215
THR A 216
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 0.42A 4n16A-3q31A:
24.6		 4n16A-3q31A:
30.69
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		4 HIS A 366
HIS A 361
HIS A 541
PHE A 167
 FE2  A   1 ( 3.4A)
FE2  A   1 ( 3.4A)
FE2  A   1 (-3.3A)
None
 0.89A 4n16A-3rdeA:
undetectable		 4n16A-3rdeA:
18.62
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.
3t2c FRUCTOSE-1,6-BISPHOS
PHATE
ALDOLASE/PHOSPHATASE

(Pyrobaculum
neutrophilum) 		PF01950
(FBPase_3) 		4 ILE A 202
PHE A 168
THR A 152
THR A 153
 None
 0.78A 4n16A-3t2cA:
undetectable		 4n16A-3t2cA:
23.27
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) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
PHE A 130
THR A 198
THR A 199
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
ZN  A 261 ( 4.4A)
None
 0.43A 4n16A-3uyqA:
41.5		 4n16A-3uyqA:
58.85
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) 		5 GLN A  92
HIS A  94
HIS A  96
PHE A 130
THR A 198
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
ZN  A 261 ( 4.4A)
 1.36A 4n16A-3uyqA:
41.5		 4n16A-3uyqA:
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.
3wbg FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		4 GLN A  95
PHE A  70
THR A  53
THR A  60
 None
None
2AN  A 201 ( 4.0A)
None
 0.84A 4n16A-3wbgA:
undetectable		 4n16A-3wbgA:
18.97
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.
3x0f CD81 ANTIGEN

(Mus musculus) 		no annotation 4 GLN A 187
HIS A 151
THR A 167
THR A 168
 None
None
IPA  A 303 ( 4.1A)
None
 0.91A 4n16A-3x0fA:
undetectable		 4n16A-3x0fA:
19.82
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.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 GLN A 129
PHE A 144
THR A 135
THR A 136
 None
 0.58A 4n16A-3zq6A:
undetectable		 4n16A-3zq6A:
23.94
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.
4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP

(Homo sapiens) 		PF00061
(Lipocalin) 		4 GLN A  96
PHE A  71
THR A  54
THR A  61
 None
 0.86A 4n16A-4a60A:
undetectable		 4n16A-4a60A:
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.
4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Mus musculus) 		PF00061
(Lipocalin) 		4 GLN A  98
PHE A  73
THR A  56
THR A  63
 None
None
A9M  A1136 ( 4.3A)
None
 0.82A 4n16A-4azpA:
undetectable		 4n16A-4azpA:
19.07
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 ILE A 184
HIS A 107
PHE A 185
THR A 253
 None
 0.92A 4n16A-4cnsA:
undetectable		 4n16A-4cnsA:
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 ILE A 184
HIS A 107
PHE A 185
THR A 253
 None
 0.90A 4n16A-4cntA:
undetectable		 4n16A-4cntA:
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.
4f3l CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT
BMAL1B

(Mus musculus;
Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		4 GLN A 190
HIS B 149
THR A  88
THR A  87
 None
 0.77A 4n16A-4f3lA:
undetectable		 4n16A-4f3lA:
19.40
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) 		5 GLN A  67
HIS A  89
HIS A  91
THR A 174
THR A 175
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 1.14A 4n16A-4g7aA:
30.0		 4n16A-4g7aA:
34.26
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) 		6 GLN A  87
HIS A  89
HIS A  91
HIS A 108
THR A 174
THR A 175
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 0.28A 4n16A-4g7aA:
30.0		 4n16A-4g7aA:
34.26
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 ILE B 541
HIS B 519
PHE B 536
THR B 522
 None
NI  B 902 (-3.2A)
None
None
 0.90A 4n16A-4g7eB:
undetectable		 4n16A-4g7eB:
15.18
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		5 ILE A 218
HIS A 120
HIS A  48
HIS A 234
PHE A 216
 None
 0.96A 4n16A-4jqsA:
undetectable		 4n16A-4jqsA:
21.74
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ILE A 260
HIS A 278
PHE A 240
THR A 276
 None
 0.84A 4n16A-4kt1A:
undetectable		 4n16A-4kt1A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mda MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		4 ILE A 245
HIS A 273
PHE A 148
THR A 135
 None
 0.90A 4n16A-4mdaA:
undetectable		 4n16A-4mdaA:
23.62
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A 251
HIS A 283
HIS A 255
PHE A 239
 CU1  A 402 (-3.0A)
CU1  A 402 (-2.9A)
CU1  A 402 (-3.1A)
None
 0.88A 4n16A-4ouaA:
undetectable		 4n16A-4ouaA:
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.
4q7o IMMUNITY PROTEIN

(Neisseria
meningitidis) 		no annotation 4 ILE A  28
PHE A  24
THR A  46
THR A  47
 None
 0.82A 4n16A-4q7oA:
undetectable		 4n16A-4q7oA:
21.70
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) 		8 ILE A  91
GLN A  92
HIS A  94
HIS A  96
HIS A 119
PHE A 131
THR A 199
THR A 200
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
 0.36A 4n16A-4qk3A:
44.6		 4n16A-4qk3A:
95.77
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) 		6 ILE A  91
GLN A  92
HIS A  94
HIS A  96
PHE A 131
THR A 199
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
 1.26A 4n16A-4qk3A:
44.6		 4n16A-4qk3A:
95.77
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.
4qxe LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, LINKER,
VARIABLE LYMPHOCYTE
RECEPTOR B

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ILE A 260
HIS A 278
PHE A 240
THR A 276
 None
 0.81A 4n16A-4qxeA:
undetectable		 4n16A-4qxeA:
19.27
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) 		6 GLN A 110
HIS A 112
HIS A 114
HIS A 131
THR A 198
THR A 199
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
 0.30A 4n16A-4uovA:
31.5		 4n16A-4uovA:
37.06
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.77A 4n16A-4wwxB:
undetectable		 4n16A-4wwxB:
16.75
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) 		5 GLN A  67
HIS A  89
HIS A  91
THR A 174
THR A 175
 None
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 1.12A 4n16A-4x5sA:
30.1		 4n16A-4x5sA:
38.41
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) 		6 GLN A  87
HIS A  89
HIS A  91
HIS A 108
THR A 174
THR A 175
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 0.28A 4n16A-4x5sA:
30.1		 4n16A-4x5sA:
38.41
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) 		4 HIS A 110
HIS A 112
HIS A 129
THR A 191
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
ZN  A 301 (-4.3A)
 0.19A 4n16A-4xfwA:
26.6		 4n16A-4xfwA:
30.58
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
THR A 254
THR A 255
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 1.05A 4n16A-4xixA:
26.0		 4n16A-4xixA:
34.20
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) 		6 GLN A 158
HIS A 160
HIS A 162
HIS A 179
THR A 254
THR A 255
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 0.26A 4n16A-4xixA:
26.0		 4n16A-4xixA:
34.20
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) 		6 GLN A 163
HIS A 165
HIS A 167
HIS A 184
THR A 252
THR A 253
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 0.32A 4n16A-4xz5A:
30.0		 4n16A-4xz5A:
32.83
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.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 ILE A  50
HIS A 121
HIS A 116
HIS A 153
 None
ZN  A 401 (-3.4A)
ZN  A 401 ( 3.5A)
ZN  A 401 ( 3.2A)
 0.79A 4n16A-4ymkA:
undetectable		 4n16A-4ymkA:
19.66
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.
5b29 FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		4 GLN A  95
PHE A  70
THR A  53
THR A  60
 None
None
PLM  A 200 ( 4.2A)
PLM  A 200 ( 4.8A)
 0.85A 4n16A-5b29A:
undetectable		 4n16A-5b29A:
19.37
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.
5bvq FATTY ACID-BINDING
PROTEIN

(Pygoscelis
papua) 		PF00061
(Lipocalin) 		5 ILE A  85
GLN A  94
PHE A  65
THR A  54
THR A  61
 None
 1.16A 4n16A-5bvqA:
undetectable		 4n16A-5bvqA:
18.92
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
THR A 199
THR A 200
 GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 1.09A 4n16A-5cjfA:
36.9		 4n16A-5cjfA:
36.80
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) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 0.23A 4n16A-5cjfA:
36.9		 4n16A-5cjfA:
36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 HIS A 151
PHE A 187
THR A 257
THR A 258
 None
 0.50A 4n16A-5e5uA:
34.3		 4n16A-5e5uA:
31.39
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
PHE X 129
THR X 197
THR X 198
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
ZN  X 301 ( 4.4A)
None
 0.35A 4n16A-5eztX:
44.4		 4n16A-5eztX:
80.16
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) 		5 GLN X  91
HIS X  93
HIS X  95
PHE X 129
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
ZN  X 301 ( 4.4A)
 1.35A 4n16A-5eztX:
44.4		 4n16A-5eztX:
80.16
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) 		6 GLN A  94
HIS A  96
HIS A  98
HIS A 115
THR A 182
THR A 183
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 301 ( 4.4A)
None
 0.39A 4n16A-5hpjA:
29.6		 4n16A-5hpjA:
35.45
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) 		4 HIS A 115
HIS A  98
THR A 182
THR A  40
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.4A)
None
 0.90A 4n16A-5hpjA:
29.6		 4n16A-5hpjA:
35.45
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 HIS A 286
HIS A 322
HIS A 288
THR A 392
 KCX  A 192 ( 3.5A)
KCX  A 192 (-3.8A)
CAP  A 500 (-3.9A)
KCX  A 192 ( 3.1A)
 0.91A 4n16A-5hqlA:
undetectable		 4n16A-5hqlA:
18.43
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) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
 0.31A 4n16A-5jn9A:
33.5		 4n16A-5jn9A:
35.42
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.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 HIS A 286
HIS A 322
HIS A 288
THR A 422
 KCX  A 193 ( 4.3A)
CAP  A 501 (-4.0A)
CAP  A 501 (-3.8A)
KCX  A 193 ( 3.7A)
 0.81A 4n16A-5macA:
undetectable		 4n16A-5macA:
19.71
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.
5mz6 SEPARASE

(Caenorhabditis
elegans) 		PF03568
(Peptidase_C50) 		4 ILE 1  41
PHE 1  45
THR 1 355
THR 1 354
 None
 0.90A 4n16A-5mz61:
undetectable		 4n16A-5mz61:
11.65
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.
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)
 0.92A 4n16A-5tr0A:
undetectable		 4n16A-5tr0A:
15.86
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 ILE A 553
GLN A 495
HIS A 499
HIS A 690
 None
None
FE2  A 901 (-3.6A)
FE2  A 901 (-3.6A)
 0.87A 4n16A-5tr0A:
undetectable		 4n16A-5tr0A:
15.86
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 HIS A 219
HIS A 168
HIS A 284
PHE A 309
THR A 122
 FE  A 500 (-3.2A)
FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
None
None
 1.10A 4n16A-5v2dA:
undetectable		 4n16A-5v2dA:
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 HIS A 219
HIS A 168
HIS A 284
PHE A 310
THR A 122
 FE  A 500 (-3.2A)
FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
None
None
 1.39A 4n16A-5v2dA:
undetectable		 4n16A-5v2dA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 4 ILE A 213
HIS A 178
PHE A 193
THR A 352
 None
 0.84A 4n16A-5xohA:
undetectable		 4n16A-5xohA:
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.
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
 0.74A 4n16A-6cg0A:
undetectable		 4n16A-6cg0A:
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 6 GLN A 115
HIS A 117
HIS A 119
HIS A 136
THR A 202
THR A 203
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
ZN  A 301 (-4.4A)
None
 0.25A 4n16A-6ekiA:
30.0		 4n16A-6ekiA:
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 ILE A 213
HIS A 282
PHE A 135
THR A 342
 None
 0.84A 4n16A-6eojA:
undetectable		 4n16A-6eojA:
10.69
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 0.38A 4n16A-6fe1A:
34.0		 4n16A-6fe1A:
undetectable