SIMILAR PATTERNS OF AMINO ACIDS FOR 1DMY_A_AZMA400

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
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 HIS A  94
HIS A  96
HIS A 119
VAL A 121
SER A 135
LEU A 141
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
None
None
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
 0.50A 1dmyA-1jd0A:
33.5		 1dmyA-1jd0A:
32.74
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 HIS A  94
HIS A  96
VAL A 121
SER A 135
LEU A 141
LEU A 198
THR A 200
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
None
None
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
 1.42A 1dmyA-1jd0A:
33.5		 1dmyA-1jd0A:
32.74
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) 		5 HIS A 119
HIS A  94
HIS A  96
TYR A 194
THR A 200
 ZN  A 901 ( 3.1A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
None
AZM  A1400 (-3.3A)
 1.14A 1dmyA-1jd0A:
33.5		 1dmyA-1jd0A:
32.74
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.
1ka0 HALOTOLERANCE
PROTEIN HAL2

(Saccharomyces
cerevisiae) 		PF00459
(Inositol_P) 		5 HIS A 261
HIS A 244
LEU A 282
LEU A 280
THR A 233
 None
 1.17A 1dmyA-1ka0A:
undetectable		 1dmyA-1ka0A:
19.61
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) 		8 HIS A  92
HIS A  94
HIS A 111
VAL A 113
LEU A 176
THR A 177
THR A 178
TRP A 187
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.39A 1dmyA-1kopA:
26.0		 1dmyA-1kopA:
35.02
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) 		9 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 141
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 0.44A 1dmyA-1rj6A:
33.3		 1dmyA-1rj6A:
33.70
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) 		11 HIS A  94
HIS A  96
HIS A 119
VAL A 121
TYR A 131
SER A 135
LEU A 141
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
None
None
ZN  A 280 ( 4.9A)
None
None
 0.27A 1dmyA-1urtA:
42.6		 1dmyA-1urtA:
97.98
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
 1.23A 1dmyA-1urtA:
42.6		 1dmyA-1urtA:
97.98
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 HIS A 119
HIS A  94
HIS A  96
TYR A 194
THR A 200
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
 1.23A 1dmyA-1urtA:
42.6		 1dmyA-1urtA:
97.98
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
 1.39A 1dmyA-1urtA:
42.6		 1dmyA-1urtA:
97.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v2d GLUTAMINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 VAL A 129
LEU A 145
LEU A 149
THR A 150
THR A 153
 None
 1.21A 1dmyA-1v2dA:
undetectable		 1dmyA-1v2dA:
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.
1vs0 PUTATIVE DNA
LIGASE-LIKE PROTEIN
RV0938/MT0965

(Mycobacterium
tuberculosis) 		PF01068
(DNA_ligase_A_M)
PF04679
(DNA_ligase_A_C) 		5 HIS A 523
VAL A 525
LEU A 527
LEU A 590
THR A 588
 None
 1.24A 1dmyA-1vs0A:
undetectable		 1dmyA-1vs0A:
22.94
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.
1w6f ARYLAMINE
N-ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF00797
(Acetyltransf_2) 		5 HIS A 110
VAL A 112
LEU A 125
LEU A 135
THR A 134
 None
 1.25A 1dmyA-1w6fA:
undetectable		 1dmyA-1w6fA:
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.
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo sapiens) 		PF05881
(CNPase) 		5 HIS A 310
VAL A 280
LEU A 264
THR A 233
THR A 234
 HIS  A 310 (-1.0A)
VAL  A 280 ( 0.6A)
LEU  A 264 ( 0.6A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
 1.32A 1dmyA-1wojA:
undetectable		 1dmyA-1wojA:
22.64
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		9 HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 151
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 1dmyA-1y7wA:
23.5		 1dmyA-1y7wA:
26.84
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 HIS A 135
HIS A 115
HIS A 117
TYR A 212
THR A 218
 ZN  A 283 ( 3.1A)
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
None
ACY  A 279 ( 4.9A)
 1.18A 1dmyA-1y7wA:
23.5		 1dmyA-1y7wA:
26.84
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.
1ylo HYPOTHETICAL PROTEIN
SF2450

(Shigella
flexneri) 		PF05343
(Peptidase_M42) 		5 VAL A 265
LEU A 329
LEU A 333
THR A 334
THR A 337
 None
 1.32A 1dmyA-1yloA:
undetectable		 1dmyA-1yloA:
22.57
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.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		5 HIS A  69
VAL A  68
LEU A  92
LEU A 100
THR A 103
 None
 1.11A 1dmyA-2bnhA:
undetectable		 1dmyA-2bnhA:
18.86
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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		5 HIS X  92
TYR X 215
LEU X 199
LEU X 139
THR X 138
 None
 1.27A 1dmyA-2bq8X:
undetectable		 1dmyA-2bq8X:
20.00
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) 		7 HIS A  94
HIS A  96
HIS A 119
LEU A 141
LEU A 198
THR A 199
TRP A 209
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
None
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.45A 1dmyA-2it4A:
36.8		 1dmyA-2it4A:
44.53
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 HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 199
 ZN  A 561 ( 3.2A)
PPF  A 500 (-4.9A)
None
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
 1.31A 1dmyA-2it4A:
36.8		 1dmyA-2it4A:
44.53
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.
2lnu UNCHARACTERIZED
PROTEIN

(Haloarcula
marismortui) 		PF07920
(DUF1684) 		5 HIS A  60
HIS A  80
LEU A 108
LEU A  84
THR A  83
 None
 1.29A 1dmyA-2lnuA:
undetectable		 1dmyA-2lnuA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 VAL A   8
LEU A 253
LEU A 249
THR A 246
THR A 232
 None
 1.31A 1dmyA-2nx9A:
undetectable		 1dmyA-2nx9A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 HIS A 235
SER A 431
LEU A 281
THR A 282
THR A 283
 None
 1.40A 1dmyA-2oipA:
undetectable		 1dmyA-2oipA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  76
HIS A 248
HIS A 137
SER A  82
LEU A  79
 ZN  A 493 (-3.5A)
ZN  A 493 (-3.2A)
None
None
None
 1.35A 1dmyA-2pajA:
undetectable		 1dmyA-2pajA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 1dmyA-2pejA:
undetectable		 1dmyA-2pejA:
19.18
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
 0.44A 1dmyA-2w2jA:
34.4		 1dmyA-2w2jA:
32.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wvw RBCX PROTEIN

(Anabaena sp. CA
= ATCC 33047) 		PF02341
(RcbX) 		5 VAL I  89
LEU I  85
LEU I  14
THR I  10
THR I  13
 None
 1.10A 1dmyA-2wvwI:
undetectable		 1dmyA-2wvwI:
18.90
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) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
ZN  A   1 ( 4.7A)
None
None
 0.39A 1dmyA-2zncA:
29.1		 1dmyA-2zncA:
31.93
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) 		5 HIS A 119
HIS A  94
HIS A  96
TYR A 194
THR A 200
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
 1.10A 1dmyA-2zncA:
29.1		 1dmyA-2zncA:
31.93
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) 		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
 1.40A 1dmyA-2zncA:
29.1		 1dmyA-2zncA:
31.93
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 HIS A 721
HIS A 617
VAL A 714
TYR A 689
LEU A 693
 ZN  A 901 ( 4.7A)
ZN  A 901 (-3.4A)
None
None
None
 1.37A 1dmyA-2zzgA:
undetectable		 1dmyA-2zzgA:
14.61
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 HIS A 163
HIS A 165
HIS A 182
LEU A 268
LEU A 259
THR A 261
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
None
 1.16A 1dmyA-3b1bA:
23.1		 1dmyA-3b1bA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		8 HIS A 163
HIS A 165
HIS A 182
VAL A 184
LEU A 259
THR A 260
THR A 261
TRP A 270
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
ZN  A 378 ( 4.5A)
None
None
 0.25A 1dmyA-3b1bA:
23.1		 1dmyA-3b1bA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		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
 1.00A 1dmyA-3b1bA:
23.1		 1dmyA-3b1bA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 HIS A 182
HIS A 163
HIS A 165
TYR A 255
THR A 261
 ZN  A 378 (-3.1A)
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
None
 1.15A 1dmyA-3b1bA:
23.1		 1dmyA-3b1bA:
23.73
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
HIS A 120
VAL A 122
LEU A 142
LEU A 199
THR A 200
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
None
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
 0.55A 1dmyA-3da2A:
37.4		 1dmyA-3da2A:
45.80
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.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 596
HIS A 560
LEU A 514
LEU A 565
THR A 568
 ZN  A   1 (-3.5A)
ZN  A   1 (-3.4A)
None
None
None
 1.19A 1dmyA-3ecnA:
undetectable		 1dmyA-3ecnA:
19.65
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 HIS A 111
HIS A 113
HIS A 138
VAL A 140
TYR A 149
LEU A 159
LEU A 219
THR A 220
TRP A 230
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
None
None
 0.58A 1dmyA-3fe4A:
29.9		 1dmyA-3fe4A:
31.12
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 HIS A 113
LEU A 219
THR A 220
THR A 221
TRP A 230
 MG  A 901 (-3.4A)
None
None
None
None
 1.22A 1dmyA-3fe4A:
29.9		 1dmyA-3fe4A:
31.12
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) 		6 TYR A 149
LEU A 159
LEU A 219
THR A 220
THR A 221
TRP A 230
 None
 0.75A 1dmyA-3fe4A:
29.9		 1dmyA-3fe4A:
31.12
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.
3fg9 PROTEIN OF UNIVERSAL
STRESS PROTEIN USPA
FAMILY

(Lactobacillus
plantarum) 		PF00582
(Usp) 		5 VAL A 121
LEU A 119
LEU A  37
THR A  35
THR A  36
 None
 1.22A 1dmyA-3fg9A:
undetectable		 1dmyA-3fg9A:
20.08
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 267
SER A 327
LEU A 233
THR A 230
THR A 228
 None
 1.25A 1dmyA-3fk5A:
undetectable		 1dmyA-3fk5A:
21.13
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.
3god CAS1

(Pseudomonas
aeruginosa) 		PF01867
(Cas_Cas1) 		5 HIS A 135
VAL A 252
LEU A 262
LEU A 313
THR A 312
 None
 1.18A 1dmyA-3godA:
undetectable		 1dmyA-3godA:
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.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 5 HIS A  50
VAL A  63
LEU A  19
LEU A  15
THR A  12
 None
 1.13A 1dmyA-3ihmA:
undetectable		 1dmyA-3ihmA:
19.17
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.
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
 0.78A 1dmyA-3jxfA:
30.6		 1dmyA-3jxfA:
28.77
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 HIS A  94
HIS A  96
HIS A 119
SER A 204
TRP A 209
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
None
None
 1.23A 1dmyA-3ml5A:
38.0		 1dmyA-3ml5A:
46.10
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) 		9 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 141
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
None
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
 0.54A 1dmyA-3ml5A:
38.0		 1dmyA-3ml5A:
46.10
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 HIS A 119
HIS A  94
HIS A  96
TYR A 194
THR A 200
 ZN  A 263 ( 3.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
None
AZM  A 264 (-3.5A)
 1.16A 1dmyA-3ml5A:
38.0		 1dmyA-3ml5A:
46.10
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.
3oql TENA HOMOLOG

(Pseudomonas
syringae group
genomosp. 3) 		PF14518
(Haem_oxygenas_2) 		5 HIS A 194
VAL A  64
SER A 232
LEU A 134
THR A 162
 None
 1.24A 1dmyA-3oqlA:
undetectable		 1dmyA-3oqlA:
21.18
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		8 HIS A 123
HIS A 125
HIS A 142
VAL A 144
LEU A 214
THR A 215
THR A 216
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
MLT  A   3 (-4.9A)
 0.37A 1dmyA-3q31A:
21.0		 1dmyA-3q31A:
28.85
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 HIS A 123
HIS A 142
LEU A 214
THR A 215
THR A 216
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 (-2.8A)
MLT  A   3 (-4.9A)
 1.49A 1dmyA-3q31A:
21.0		 1dmyA-3q31A:
28.85
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		5 HIS A 142
HIS A 123
HIS A 125
TYR A 210
THR A 216
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 (-2.8A)
 1.09A 1dmyA-3q31A:
21.0		 1dmyA-3q31A:
28.85
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		5 HIS A 142
HIS A 125
VAL A 154
LEU A 214
THR A 216
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 (-2.8A)
 1.35A 1dmyA-3q31A:
21.0		 1dmyA-3q31A:
28.85
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.
3qlv GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 5

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 VAL A 207
LEU A 208
LEU A 225
THR A 226
THR A 227
 None
 1.29A 1dmyA-3qlvA:
undetectable		 1dmyA-3qlvA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 VAL A   6
SER A  22
LEU A  27
LEU A  50
THR A  49
 None
 1.40A 1dmyA-3t8iA:
undetectable		 1dmyA-3t8iA:
21.17
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B
ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 HIS B 805
HIS B 809
SER A 659
LEU B 811
LEU B 783
 None
 1.27A 1dmyA-3u44B:
undetectable		 1dmyA-3u44B:
12.34
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 HIS A  94
HIS A  96
HIS A 119
VAL A 121
THR A 198
THR A 199
TRP A 208
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
ZN  A 261 ( 4.4A)
None
None
 0.36A 1dmyA-3uyqA:
36.5		 1dmyA-3uyqA:
42.86
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 HIS A 119
HIS A  94
HIS A  96
TYR A 193
THR A 199
 ZN  A 261 (-3.2A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
None
 1.15A 1dmyA-3uyqA:
36.5		 1dmyA-3uyqA:
42.86
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 179
HIS A 210
VAL A  73
TYR A 275
LEU A  89
 CUO  A9001 (-3.4A)
CUO  A9001 (-3.3A)
None
None
None
 1.02A 1dmyA-4bedA:
undetectable		 1dmyA-4bedA:
9.55
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.
4bt6 ALPHA-ACETOLACTATE
DECARBOXYLASE

(Brevibacillus
brevis) 		PF03306
(AAL_decarboxy) 		5 VAL A 208
TYR A 113
LEU A 211
LEU A 135
THR A 175
 None
 1.33A 1dmyA-4bt6A:
undetectable		 1dmyA-4bt6A:
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 TYR A 229
LEU A 209
LEU A 217
THR A 216
TRP A 249
 None
 1.13A 1dmyA-4byfA:
undetectable		 1dmyA-4byfA:
15.96
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A 138
HIS A 107
HIS A  73
LEU A 328
THR A 253
 None
 1.31A 1dmyA-4cntA:
undetectable		 1dmyA-4cntA:
16.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e9o IMV MEMBRANE PROTEIN

(Vaccinia virus) 		PF00194
(Carb_anhydrase) 		5 HIS X  67
VAL X  94
TYR X 104
LEU X 114
TRP X 182
 IOD  X 309 (-4.6A)
IOD  X 310 ( 4.9A)
None
None
None
 0.81A 1dmyA-4e9oX:
33.0		 1dmyA-4e9oX:
33.71
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.
4fwm PROPIONATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 HIS A 147
HIS A 179
TYR A 187
SER A 197
LEU A 199
 None
 1.40A 1dmyA-4fwmA:
undetectable		 1dmyA-4fwmA:
18.81
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) 		8 HIS A  89
HIS A  91
HIS A 108
VAL A 110
LEU A 173
THR A 174
THR A 175
TRP A 184
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
 0.29A 1dmyA-4g7aA:
26.5		 1dmyA-4g7aA:
31.12
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.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		5 HIS B 215
SER B 190
LEU B 212
LEU B 261
THR B 260
 None
 1.28A 1dmyA-4iyoB:
undetectable		 1dmyA-4iyoB:
22.42
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.
4mjf HYPOTHETICAL PROTEIN

(Bacteroides
vulgatus) 		PF14254
(DUF4348) 		5 LEU A 142
LEU A 236
THR A 237
THR A 115
TRP A 139
 None
None
CL  A 314 ( 4.0A)
CL  A 314 ( 3.8A)
None
 1.27A 1dmyA-4mjfA:
undetectable		 1dmyA-4mjfA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 VAL A 620
LEU A 587
LEU A 627
THR A 623
THR A 626
 None
 1.27A 1dmyA-4nurA:
undetectable		 1dmyA-4nurA:
16.56
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) 		9 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 141
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
None
 0.35A 1dmyA-4qk3A:
35.6		 1dmyA-4qk3A:
47.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 200
 ZN  A 301 (-3.2A)
None
None
None
None
 1.28A 1dmyA-4qk3A:
35.6		 1dmyA-4qk3A:
47.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 119
HIS A  94
HIS A  96
TYR A 194
THR A 200
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
 1.11A 1dmyA-4qk3A:
35.6		 1dmyA-4qk3A:
47.94
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 VAL A3303
LEU A3307
LEU A3240
THR A3238
THR A3239
 None
 1.05A 1dmyA-4tktA:
undetectable		 1dmyA-4tktA:
16.78
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) 		8 HIS A 112
HIS A 114
HIS A 131
VAL A 133
LEU A 197
THR A 198
THR A 199
TRP A 208
 ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
 0.36A 1dmyA-4uovA:
27.7		 1dmyA-4uovA:
33.00
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) 		8 HIS A  89
HIS A  91
HIS A 108
VAL A 110
LEU A 173
THR A 174
THR A 175
TRP A 184
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
 0.30A 1dmyA-4x5sA:
26.3		 1dmyA-4x5sA:
32.71
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 HIS A 108
HIS A  89
HIS A  91
TYR A 169
THR A 175
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
None
AZM  A 302 (-3.3A)
 1.18A 1dmyA-4x5sA:
26.3		 1dmyA-4x5sA:
32.71
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) 		7 HIS A 110
HIS A 112
HIS A 129
LEU A 139
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
None
ZN  A 301 (-4.3A)
None
 0.83A 1dmyA-4xfwA:
23.3		 1dmyA-4xfwA:
30.56
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) 		7 HIS A 110
HIS A 112
HIS A 129
VAL A 131
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
None
ZN  A 301 (-4.3A)
None
 0.59A 1dmyA-4xfwA:
23.3		 1dmyA-4xfwA:
30.56
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) 		9 HIS A 160
HIS A 162
HIS A 179
VAL A 181
LEU A 190
LEU A 253
THR A 254
THR A 255
TRP A 264
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
None
 0.47A 1dmyA-4xixA:
24.8		 1dmyA-4xixA:
38.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 HIS A 179
HIS A 160
HIS A 162
TYR A 249
THR A 255
 ZN  A 401 ( 3.1A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.6A)
 1.15A 1dmyA-4xixA:
24.8		 1dmyA-4xixA:
38.02
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) 		9 HIS A 165
HIS A 167
HIS A 184
VAL A 186
LEU A 194
LEU A 251
THR A 252
THR A 253
TRP A 262
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
 0.43A 1dmyA-4xz5A:
26.5		 1dmyA-4xz5A:
34.29
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)
 1.32A 1dmyA-4xz5A:
26.5		 1dmyA-4xz5A:
34.29
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) 		5 HIS A 184
HIS A 165
HIS A 167
TYR A 247
THR A 253
 ZN  A 401 ( 3.1A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
None
BCT  A 402 ( 4.4A)
 1.14A 1dmyA-4xz5A:
26.5		 1dmyA-4xz5A:
34.29
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) 		9 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 141
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
None
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
 0.29A 1dmyA-5cjfA:
33.2		 1dmyA-5cjfA:
33.57
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 HIS A 119
HIS A  94
HIS A  96
TYR A 194
THR A 200
 ZN  A 301 ( 3.1A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
None
GOL  A 303 ( 3.5A)
 1.20A 1dmyA-5cjfA:
33.2		 1dmyA-5cjfA:
33.57
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
 0.29A 1dmyA-5e5uA:
31.0		 1dmyA-5e5uA:
30.22
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) 		9 HIS X  93
HIS X  95
HIS X 118
VAL X 120
LEU X 139
LEU X 196
THR X 197
THR X 198
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
None
None
ZN  X 301 ( 4.4A)
None
None
 0.55A 1dmyA-5eztX:
36.6		 1dmyA-5eztX:
51.43
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 HIS X 118
HIS X  93
HIS X  95
TYR X 192
THR X 198
 ZN  X 301 (-3.1A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
 1.11A 1dmyA-5eztX:
36.6		 1dmyA-5eztX:
51.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE

(Thermus
thermophilus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 444
HIS A 398
HIS A 137
VAL A 448
LEU A 146
 CU  A1463 (-3.0A)
CU  A1463 (-2.9A)
CU  A1463 (-3.3A)
None
None
 1.34A 1dmyA-5g3fA:
undetectable		 1dmyA-5g3fA:
20.59
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) 		9 HIS A  96
HIS A  98
HIS A 115
VAL A 117
LEU A 125
LEU A 181
THR A 182
THR A 183
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
None
 0.62A 1dmyA-5hpjA:
25.6		 1dmyA-5hpjA:
33.33
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) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
 0.41A 1dmyA-5jn9A:
29.6		 1dmyA-5jn9A:
31.67
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) 		5 HIS A 119
HIS A  94
HIS A  96
TYR A 194
THR A 200
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
None
EZL  A 302 (-3.9A)
 1.17A 1dmyA-5jn9A:
29.6		 1dmyA-5jn9A:
31.67
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 HIS A  94
TYR A 217
LEU A 201
LEU A 141
THR A 140
 None
 1.39A 1dmyA-5uq6A:
undetectable		 1dmyA-5uq6A:
21.07
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.
5xne -

(-) 		no annotation 5 HIS B 191
HIS B 204
VAL B 144
LEU B  59
LEU B  31
 ZN  B 301 (-3.5A)
ZN  B 301 (-3.3A)
None
None
None
 1.40A 1dmyA-5xneB:
undetectable		 1dmyA-5xneB:
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.
5y7y ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR

(Bos taurus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 HIS B 214
VAL B 218
LEU B 221
LEU B 209
THR B 208
 None
 1.18A 1dmyA-5y7yB:
undetectable		 1dmyA-5y7yB:
19.25
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.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 HIS A  38
VAL A  98
SER A  56
LEU A 174
THR A 171
 None
None
FAD  A 501 ( 3.8A)
None
None
 0.96A 1dmyA-6bz0A:
undetectable		 1dmyA-6bz0A:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 9 HIS A 117
HIS A 119
HIS A 136
VAL A 138
LEU A 146
LEU A 201
THR A 202
THR A 203
TRP A 212
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 (-4.4A)
None
None
 0.34A 1dmyA-6ekiA:
26.9		 1dmyA-6ekiA:
19.67
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 HIS A 136
HIS A 117
HIS A 119
TYR A 197
THR A 203
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
None
None
 1.15A 1dmyA-6ekiA:
26.9		 1dmyA-6ekiA:
19.67
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 9 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 141
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
 0.54A 1dmyA-6fe1A:
31.5		 1dmyA-6fe1A:
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 5 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 0.93A 1dmyA-6fe1A:
31.5		 1dmyA-6fe1A:
15.73