SIMILAR PATTERNS OF AMINO ACIDS FOR 2AW1_A_COXA264_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.
1cy9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac) 		5 VAL A 268
LEU A 413
VAL A 415
LEU A 234
THR A 226
 None
 0.83A 2aw1A-1cy9A:
0.0		 2aw1A-1cy9A:
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.
1dxy D-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Lactobacillus
casei) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 201
VAL A 229
LEU A 252
VAL A 255
THR A 240
 None
 0.95A 2aw1A-1dxyA:
undetectable		 2aw1A-1dxyA:
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 174
VAL A 315
LEU A 301
VAL A 299
LEU A 284
 None
 0.97A 2aw1A-1eblA:
undetectable		 2aw1A-1eblA:
22.46
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.
1f8y NUCLEOSIDE
2-DEOXYRIBOSYLTRANSF
ERASE

(Lactobacillus
leichmannii) 		PF05014
(Nuc_deoxyrib_tr) 		6 ILE A 134
VAL A 112
PHE A 142
LEU A  83
VAL A  85
LEU A  28
 None
 1.46A 2aw1A-1f8yA:
0.0		 2aw1A-1f8yA:
22.49
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
VAL A 121
LEU A 141
LEU A 198
THR A 200
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
None
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
 1.44A 2aw1A-1jd0A:
36.2		 2aw1A-1jd0A:
36.33
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) 		10 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
None
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
 0.36A 2aw1A-1jd0A:
36.2		 2aw1A-1jd0A:
36.33
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
LEU A 176
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.13A 2aw1A-1kopA:
29.6		 2aw1A-1kopA:
33.96
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) 		9 GLN A  90
HIS A  92
HIS A  94
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.31A 2aw1A-1kopA:
29.6		 2aw1A-1kopA:
33.96
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.
1mw9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 VAL X 268
LEU X 413
VAL X 415
LEU X 234
THR X 226
 None
 0.83A 2aw1A-1mw9X:
0.0		 2aw1A-1mw9X:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oyw ATP-DEPENDENT DNA
HELICASE

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 ILE A 121
VAL A  71
LEU A 143
VAL A 145
LEU A 168
 None
 0.91A 2aw1A-1oywA:
0.0		 2aw1A-1oywA:
19.12
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  67
HIS A  94
HIS A  96
LEU A 198
THR A 199
THR A 200
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 1.10A 2aw1A-1rj6A:
37.1		 2aw1A-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  67
HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
 None
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 1.19A 2aw1A-1rj6A:
37.1		 2aw1A-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) 		10 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
None
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 0.36A 2aw1A-1rj6A:
37.1		 2aw1A-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.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 ILE A  32
VAL A   6
LEU A  56
VAL A  54
LEU A 253
 None
 0.75A 2aw1A-1si1A:
undetectable		 2aw1A-1si1A:
23.15
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) 		10 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
None
ZN  A 280 ( 4.9A)
None
None
 0.46A 2aw1A-1urtA:
36.6		 2aw1A-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 HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 280 (-3.2A)
None
None
None
ZN  A 280 ( 4.9A)
None
 1.30A 2aw1A-1urtA:
36.6		 2aw1A-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 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
 1.33A 2aw1A-1urtA:
36.6		 2aw1A-1urtA:
51.13
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) 		11 ILE A 112
GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 151
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.34A 2aw1A-1y7wA:
26.2		 2aw1A-1y7wA:
31.94
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.
1yem CONSERVED
HYPOTHETICAL PROTEIN
PFU-838710-001

(Pyrococcus
furiosus) 		PF01928
(CYTH) 		5 VAL A 124
LEU A 112
VAL A 114
LEU A  18
THR A  17
 None
 0.97A 2aw1A-1yemA:
undetectable		 2aw1A-1yemA:
23.57
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 ILE A  18
VAL A  56
LEU A 106
VAL A 108
LEU A  81
 None
 0.94A 2aw1A-1zmrA:
undetectable		 2aw1A-1zmrA:
22.17
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.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		5 HIS A  18
PHE A  54
LEU A  66
THR A  67
THR A  68
 None
 0.84A 2aw1A-2aazA:
undetectable		 2aw1A-2aazA:
21.96
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.
2cai GLUTATHIONE
S-TRANSFERASE 28 KDA

(Schistosoma
haematobium) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ILE A  58
VAL A  56
VAL A   8
LEU A  24
THR A  23
 BME  A1220 ( 4.5A)
None
None
None
None
 1.01A 2aw1A-2caiA:
undetectable		 2aw1A-2caiA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fdb FIBROBLAST GROWTH
FACTOR 8 ISOFORM B

(Homo sapiens) 		PF00167
(FGF) 		5 ILE M 108
VAL M  99
LEU M  86
VAL M  88
THR M 139
 None
 0.98A 2aw1A-2fdbM:
undetectable		 2aw1A-2fdbM:
19.92
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
LEU A 141
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
None
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.50A 2aw1A-2it4A:
40.6		 2aw1A-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.
2ool SENSOR PROTEIN

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 ILE A  55
VAL A  48
VAL A 129
LEU A  90
THR A  91
 None
 0.98A 2aw1A-2oolA:
undetectable		 2aw1A-2oolA:
20.72
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.
2pej ORF134

(Synechococcus
sp. PCC 7002) 		PF02341
(RcbX) 		5 VAL A  90
LEU A  86
LEU A  14
THR A  10
THR A  13
 None
 1.00A 2aw1A-2pejA:
undetectable		 2aw1A-2pejA:
23.68
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.
2rt3 NEGATIVE REGULATOR
OF DIFFERENTIATION 1

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1) 		5 ILE A 235
VAL A 246
LEU A 210
VAL A 208
LEU A 261
 None
 0.94A 2aw1A-2rt3A:
undetectable		 2aw1A-2rt3A:
15.51
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 ILE A 154
HIS A 163
VAL A 165
LEU A 174
LEU A 180
 None
 0.88A 2aw1A-2vw8A:
undetectable		 2aw1A-2vw8A:
21.79
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 ILE A 153
HIS A 118
LEU A 222
THR A 223
TRP A 233
 UNX  A 603 ( 4.9A)
CL  A 401 (-4.2A)
None
CL  A 401 ( 4.8A)
None
 0.93A 2aw1A-2w2jA:
37.4		 2aw1A-2w2jA:
38.72
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.
2wvw RBCX PROTEIN

(Anabaena sp. CA
= ATCC 33047) 		PF02341
(RcbX) 		5 LEU I  85
VAL I  89
LEU I  14
THR I  10
THR I  13
 None
 0.87A 2aw1A-2wvwI:
undetectable		 2aw1A-2wvwI:
24.03
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
VAL A 121
LEU A 198
THR A 199
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
 1.47A 2aw1A-2zncA:
31.8		 2aw1A-2zncA:
35.56
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) 		9 GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
None
ZN  A   1 ( 4.7A)
None
None
 0.30A 2aw1A-2zncA:
31.8		 2aw1A-2zncA:
35.56
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 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
None
 1.30A 2aw1A-2zncA:
31.8		 2aw1A-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) 		9 GLN A 161
HIS A 163
HIS A 165
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
None
None
ZN  A 378 ( 4.5A)
None
None
 0.24A 2aw1A-3b1bA:
25.3		 2aw1A-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 HIS A 163
HIS A 165
LEU A 268
VAL A 201
LEU A 259
THR A 261
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
None
None
None
 1.20A 2aw1A-3b1bA:
25.3		 2aw1A-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) 		5 HIS A 165
VAL A 184
LEU A 259
THR A 260
THR A 261
 ZN  A 378 (-3.3A)
None
None
ZN  A 378 ( 4.5A)
None
 0.98A 2aw1A-3b1bA:
25.3		 2aw1A-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) 		5 HIS A 165
VAL A 201
LEU A 268
LEU A 259
THR A 261
 ZN  A 378 (-3.3A)
None
None
None
None
 0.95A 2aw1A-3b1bA:
25.3		 2aw1A-3b1bA:
25.45
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 GLN A  93
HIS A  95
HIS A  97
LEU A 142
LEU A 199
THR A 200
 4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
None
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 0.86A 2aw1A-3da2A:
42.0		 2aw1A-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) 		8 HIS A  95
HIS A  97
VAL A 122
LEU A 142
VAL A 144
LEU A 199
THR A 200
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
None
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
 0.40A 2aw1A-3da2A:
42.0		 2aw1A-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.
3dr5 PUTATIVE
O-METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13578
(Methyltransf_24) 		5 VAL A 209
LEU A  48
VAL A 160
LEU A  44
THR A  41
 None
 0.91A 2aw1A-3dr5A:
undetectable		 2aw1A-3dr5A:
18.35
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) 		9 GLN A 109
HIS A 111
HIS A 113
VAL A 140
LEU A 159
VAL A 161
LEU A 219
THR A 220
TRP A 230
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
None
None
 0.65A 2aw1A-3fe4A:
30.8		 2aw1A-3fe4A:
34.25
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 HIS A 111
HIS A 113
VAL A 140
LEU A 159
VAL A 161
LEU A 219
THR A 220
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
None
 1.38A 2aw1A-3fe4A:
30.8		 2aw1A-3fe4A:
34.25
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 LEU A 159
LEU A 219
THR A 220
THR A 221
TRP A 230
 None
 0.47A 2aw1A-3fe4A:
30.8		 2aw1A-3fe4A:
34.25
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.
3fm0 PROTEIN CIAO1

(Homo sapiens) 		PF00400
(WD40) 		5 HIS A  60
LEU A 120
VAL A 111
LEU A 101
THR A 100
 None
 1.02A 2aw1A-3fm0A:
undetectable		 2aw1A-3fm0A:
21.75
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) 		5 HIS A 129
LEU A 176
LEU A 235
THR A 236
TRP A 246
 None
 0.42A 2aw1A-3jxfA:
33.4		 2aw1A-3jxfA:
30.29
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) 		10 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
None
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
 0.21A 2aw1A-3ml5A:
43.0		 2aw1A-3ml5A:
55.81
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) 		6 HIS A  96
LEU A 141
VAL A 121
LEU A 198
THR A 199
THR A 200
 ZN  A 263 ( 3.2A)
None
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.27A 2aw1A-3ml5A:
43.0		 2aw1A-3ml5A:
55.81
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
VAL A 144
LEU A 214
THR A 215
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
 1.42A 2aw1A-3q31A:
24.8		 2aw1A-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) 		9 GLN A 121
HIS A 123
HIS A 125
VAL A 144
VAL A 154
LEU A 214
THR A 215
THR A 216
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
MLT  A   3 (-4.9A)
 0.39A 2aw1A-3q31A:
24.8		 2aw1A-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.
3sft CHEMOTAXIS RESPONSE
REGULATOR
PROTEIN-GLUTAMATE
METHYLESTERASE

(Thermotoga
maritima) 		PF01339
(CheB_methylest) 		6 ILE A 188
VAL A 228
PHE A 184
LEU A 212
VAL A 214
THR A 209
 None
 1.40A 2aw1A-3sftA:
undetectable		 2aw1A-3sftA:
23.68
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.
3tb6 ARABINOSE METABOLISM
TRANSCRIPTIONAL
REPRESSOR

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		5 ILE A 297
VAL A 280
LEU A 284
LEU A 258
THR A 257
 None
 1.00A 2aw1A-3tb6A:
undetectable		 2aw1A-3tb6A:
22.04
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) 		8 GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 142
THR A 198
THR A 199
TRP A 208
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
None
ZN  A 261 ( 4.4A)
None
None
 0.39A 2aw1A-3uyqA:
40.6		 2aw1A-3uyqA:
58.46
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.
3v8b PUTATIVE
DEHYDROGENASE,
POSSIBLY
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		6 VAL A 182
LEU A 171
VAL A 168
LEU A 122
THR A 118
THR A 121
 None
 1.49A 2aw1A-3v8bA:
undetectable		 2aw1A-3v8bA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 ILE A 730
VAL A 634
LEU A 610
LEU A 606
THR A 603
 None
 1.02A 2aw1A-3wqyA:
undetectable		 2aw1A-3wqyA:
13.47
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.
4b5d CAPITELLA TELETA
ACHBP

(Capitella
teleta) 		PF02931
(Neur_chan_LBD) 		6 ILE A  87
VAL A 119
LEU A  74
VAL A 125
THR A  96
TRP A  69
 None
 1.32A 2aw1A-4b5dA:
undetectable		 2aw1A-4b5dA:
21.27
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.
4fmr UNCHARACTERIZED
HYPOTHETICAL PROTEIN

(Bacteroides
vulgatus) 		PF14734
(DUF4469)
PF14848
(HU-DNA_bdg) 		5 ILE A 185
VAL A 172
LEU A 213
VAL A 215
LEU A 156
 None
 0.95A 2aw1A-4fmrA:
undetectable		 2aw1A-4fmrA:
22.34
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) 		9 GLN A  87
HIS A  89
HIS A  91
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
 0.23A 2aw1A-4g7aA:
29.9		 2aw1A-4g7aA:
34.27
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.
4gpr UBIQUITIN-CONJUGATIN
G ENZYME FAMILY
PROTEIN

(Entamoeba
histolytica) 		PF00179
(UQ_con) 		5 ILE A  84
VAL A  67
LEU A  52
VAL A  54
LEU A 103
 None
 0.96A 2aw1A-4gprA:
undetectable		 2aw1A-4gprA:
22.45
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.
4mg3 PROTEASE 2A

(Enterovirus A) 		PF00947
(Pico_P2A) 		5 ILE A 123
VAL A  17
LEU A  40
VAL A  42
LEU A 140
 None
 1.00A 2aw1A-4mg3A:
undetectable		 2aw1A-4mg3A:
19.03
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
VAL A 121
LEU A 141
LEU A 198
THR A 199
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
 1.34A 2aw1A-4qk3A:
44.1		 2aw1A-4qk3A:
95.75
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) 		11 ILE A  91
GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
None
ZN  A 301 ( 4.4A)
None
None
 0.24A 2aw1A-4qk3A:
44.1		 2aw1A-4qk3A:
95.75
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.
4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Homo sapiens) 		PF01704
(UDPGP) 		5 ILE A 478
VAL A 460
LEU A 458
LEU A 402
THR A 398
 None
 0.96A 2aw1A-4r7pA:
undetectable		 2aw1A-4r7pA:
17.31
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.
4rul DNA TOPOISOMERASE 1

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01396
(zf-C4_Topoisom)
PF01751
(Toprim)
PF08272
(Topo_Zn_Ribbon) 		5 VAL A 268
LEU A 413
VAL A 415
LEU A 234
THR A 226
 None
 0.66A 2aw1A-4rulA:
undetectable		 2aw1A-4rulA:
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.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 HIS A  97
VAL A 116
VAL A 126
THR A 183
TRP A 193
 ASC  A 303 (-4.4A)
ASC  A 303 (-4.2A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-3.4A)
ASC  A 303 (-4.3A)
 0.31A 2aw1A-4twlA:
28.6		 2aw1A-4twlA:
29.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ILE A   9
VAL A  96
LEU A 117
VAL A 124
LEU A 113
 None
 1.01A 2aw1A-4u63A:
undetectable		 2aw1A-4u63A:
20.45
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) 		9 GLN A 110
HIS A 112
HIS A 114
VAL A 133
VAL A 143
LEU A 197
THR A 198
THR A 199
TRP A 208
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
 0.28A 2aw1A-4uovA:
31.1		 2aw1A-4uovA:
36.71
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 HIS A 151
VAL A 157
LEU A  85
VAL A  83
LEU A 146
 None
 0.96A 2aw1A-4uy6A:
undetectable		 2aw1A-4uy6A:
20.30
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  67
HIS A  91
VAL A 110
LEU A 173
THR A 174
THR A 175
 None
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 1.30A 2aw1A-4x5sA:
30.0		 2aw1A-4x5sA:
38.55
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) 		9 GLN A  87
HIS A  89
HIS A  91
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
 0.23A 2aw1A-4x5sA:
30.0		 2aw1A-4x5sA:
38.55
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
VAL A 131
LEU A 139
VAL A 141
LEU A 190
THR A 191
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
None
None
None
None
ZN  A 301 (-4.3A)
None
 0.46A 2aw1A-4xfwA:
26.7		 2aw1A-4xfwA:
30.69
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 162
LEU A 253
THR A 254
THR A 255
 None
ZN  A 401 ( 3.2A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 0.95A 2aw1A-4xixA:
26.1		 2aw1A-4xixA:
33.96
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) 		10 GLN A 158
HIS A 160
HIS A 162
VAL A 181
LEU A 190
VAL A 192
LEU A 253
THR A 254
THR A 255
TRP A 264
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
None
 0.35A 2aw1A-4xixA:
26.1		 2aw1A-4xixA:
33.96
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 HIS A 162
VAL A 192
LEU A 190
LEU A 253
THR A 254
THR A 255
 ZN  A 401 ( 3.2A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 1.43A 2aw1A-4xixA:
26.1		 2aw1A-4xixA:
33.96
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) 		10 GLN A 163
HIS A 165
HIS A 167
VAL A 186
LEU A 194
VAL A 196
LEU A 251
THR A 252
THR A 253
TRP A 262
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
None
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
 0.31A 2aw1A-4xz5A:
29.6		 2aw1A-4xz5A:
32.95
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 HIS A 167
VAL A 196
LEU A 194
LEU A 251
THR A 252
THR A 253
 ZN  A 401 ( 3.3A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 1.30A 2aw1A-4xz5A:
29.6		 2aw1A-4xz5A:
32.95
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.
4yn8 RESPONSE REGULATOR
CHRA

(Corynebacterium
diphtheriae) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 ILE A  44
VAL A  47
LEU A  65
VAL A  73
LEU A  61
 None
 0.98A 2aw1A-4yn8A:
undetectable		 2aw1A-4yn8A:
24.42
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.
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		6 ILE A  78
VAL A 109
LEU A  65
VAL A 115
THR A  87
TRP A  60
 None
 1.22A 2aw1A-4zjsA:
undetectable		 2aw1A-4zjsA:
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.
5ar1 CELL DIVISION
CONTROL PROTEIN 11

(Saccharomyces
cerevisiae) 		PF00735
(Septin) 		5 ILE A 228
VAL A 234
LEU A 267
VAL A 265
LEU A 220
 None
 0.70A 2aw1A-5ar1A:
undetectable		 2aw1A-5ar1A:
20.71
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  67
HIS A  94
HIS A  96
LEU A 198
THR A 199
THR A 200
 GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 1.11A 2aw1A-5cjfA:
36.4		 2aw1A-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) 		10 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
None
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
 0.26A 2aw1A-5cjfA:
36.4		 2aw1A-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 HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
None
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 1.29A 2aw1A-5cjfA:
36.4		 2aw1A-5cjfA:
36.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cjj PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		5 ILE A 108
VAL A  89
LEU A   5
VAL A   7
LEU A  23
 None
 0.84A 2aw1A-5cjjA:
undetectable		 2aw1A-5cjjA:
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.
5e3b MACRODOMAIN PROTEIN

(Streptomyces
coelicolor) 		no annotation 5 ILE A   4
VAL A 152
LEU A 122
VAL A 120
LEU A 106
 None
 0.90A 2aw1A-5e3bA:
undetectable		 2aw1A-5e3bA:
21.83
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) 		5 HIS A 151
LEU A 256
THR A 257
THR A 258
TRP A 267
 None
 0.37A 2aw1A-5e5uA:
34.4		 2aw1A-5e5uA:
31.50
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
VAL X 120
LEU X 139
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
None
ZN  X 301 ( 4.4A)
 1.45A 2aw1A-5eztX:
44.0		 2aw1A-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) 		10 GLN X  91
HIS X  93
HIS X  95
VAL X 120
LEU X 139
VAL X 141
LEU X 196
THR X 197
THR X 198
TRP X 207
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
None
None
ZN  X 301 ( 4.4A)
None
None
 0.24A 2aw1A-5eztX:
44.0		 2aw1A-5eztX:
80.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 ILE A 180
VAL A  67
LEU A  71
LEU A  40
THR A  36
 None
 0.96A 2aw1A-5h8wA:
undetectable		 2aw1A-5h8wA:
17.22
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
VAL A 117
LEU A 125
LEU A 181
THR A 182
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
 1.43A 2aw1A-5hpjA:
29.4		 2aw1A-5hpjA:
35.58
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) 		10 GLN A  94
HIS A  96
HIS A  98
VAL A 117
LEU A 125
VAL A 127
LEU A 181
THR A 182
THR A 183
TRP A 192
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
None
ZN  A 301 ( 4.4A)
None
None
 0.43A 2aw1A-5hpjA:
29.4		 2aw1A-5hpjA:
35.58
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 HIS A  98
LEU A 125
VAL A 117
LEU A 181
THR A 182
THR A 183
 ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
None
 1.16A 2aw1A-5hpjA:
29.4		 2aw1A-5hpjA:
35.58
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) 		9 GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
 0.29A 2aw1A-5jn9A:
33.4		 2aw1A-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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 ILE A 297
LEU A 263
LEU A 259
THR A 256
THR A 208
 None
 0.97A 2aw1A-5n94A:
undetectable		 2aw1A-5n94A:
16.34
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.
5v8w INTEGRATOR COMPLEX
SUBUNIT 9

(Homo sapiens) 		no annotation 5 ILE A 635
LEU A 619
VAL A 617
LEU A 598
THR A 597
 None
 1.00A 2aw1A-5v8wA:
undetectable		 2aw1A-5v8wA:
15.50
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.
5wya ISOLEUCINE
2-EPIMERASE

(Lactobacillus
buchneri) 		PF00202
(Aminotran_3) 		5 ILE A 135
HIS A 172
VAL A 170
LEU A 167
THR A 160
 None
 0.96A 2aw1A-5wyaA:
undetectable		 2aw1A-5wyaA:
20.67
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.
5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 6 HIS A 498
LEU A 587
VAL A 591
LEU A 551
THR A 548
THR A 547
 None
 1.30A 2aw1A-5zqzA:
undetectable		 2aw1A-5zqzA:
16.86
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 10 GLN A 115
HIS A 117
HIS A 119
VAL A 138
LEU A 146
VAL A 148
LEU A 201
THR A 202
THR A 203
TRP A 212
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
None
None
None
None
ZN  A 301 (-4.4A)
None
None
 0.31A 2aw1A-6ekiA:
29.9		 2aw1A-6ekiA:
16.60
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 6 HIS A 119
LEU A 146
VAL A 138
LEU A 201
THR A 202
THR A 203
 ZN  A 301 (-3.3A)
None
None
None
ZN  A 301 (-4.4A)
None
 1.17A 2aw1A-6ekiA:
29.9		 2aw1A-6ekiA:
16.60
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.
6f5d ATP SYNTHASE DELTA
SUBUNIT

(Trypanosoma
brucei) 		no annotation 5 ILE H  64
VAL H  53
LEU H  80
VAL H  82
LEU H  37
 None
 1.02A 2aw1A-6f5dH:
undetectable		 2aw1A-6f5dH:
15.45
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 10 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
None
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
 0.37A 2aw1A-6fe1A:
33.6		 2aw1A-6fe1A:
14.90
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
None
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 1.26A 2aw1A-6fe1A:
33.6		 2aw1A-6fe1A:
14.90