SIMILAR PATTERNS OF AMINO ACIDS FOR 4YHA_C_MZMC303_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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ASN A 481
HIS A  62
HIS A 104
HIS A 508
THR A 221
 None
CU  A 556 ( 3.0A)
CU  A 556 (-3.1A)
CU  A 556 (-3.3A)
None
 1.35A 4yhaC-1asoA:
undetectable		 4yhaC-1asoA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
None
 0.38A 4yhaC-1jd0A:
25.8		 4yhaC-1jd0A:
29.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
 1.45A 4yhaC-1jd0A:
25.8		 4yhaC-1jd0A:
29.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A  32
HIS A   3
HIS A 373
VAL A 279
LEU A  17
 None
 0.90A 4yhaC-1ko0A:
undetectable		 4yhaC-1ko0A:
21.93
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
VAL A 123
LEU A 176
THR A 177
TRP A 187
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
None
 0.40A 4yhaC-1kopA:
30.4		 4yhaC-1kopA:
35.98
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 HIS A  92
HIS A  94
VAL A 113
LEU A 176
THR A 178
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
 1.49A 4yhaC-1kopA:
30.4		 4yhaC-1kopA:
35.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mco IGG1 MCG INTACT
ANTIBODY (HEAVY
CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ASP H 265
VAL H 264
VAL H 269
LEU H 291
THR H 292
 None
None
None
None
SIA  H 436 (-4.0A)
 1.42A 4yhaC-1mcoH:
undetectable		 4yhaC-1mcoH:
19.43
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
None
 0.41A 4yhaC-1rj6A:
26.1		 4yhaC-1rj6A:
28.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 1.47A 4yhaC-1rj6A:
26.1		 4yhaC-1rj6A:
28.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
ZN  A 280 ( 4.9A)
None
 0.46A 4yhaC-1urtA:
22.8		 4yhaC-1urtA:
26.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		8 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.42A 4yhaC-1y7wA:
23.7		 4yhaC-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		7 LYS A  87
HIS A 115
HIS A 117
HIS A 135
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.58A 4yhaC-1y7wA:
23.7		 4yhaC-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ASP A  74
ASN A  71
VAL A  73
VAL A 404
THR A 109
 None
 1.43A 4yhaC-2e0wA:
undetectable		 4yhaC-2e0wA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ASP A  74
ASN A  71
VAL A  73
VAL B 404
THR A 109
 None
 1.47A 4yhaC-2e0xA:
undetectable		 4yhaC-2e0xA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.38A 4yhaC-2it4A:
25.7		 4yhaC-2it4A:
29.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
HIS A 119
VAL A 143
LEU A 198
THR A 199
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
 1.17A 4yhaC-2it4A:
25.7		 4yhaC-2it4A:
29.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rg4 UNCHARACTERIZED
PROTEIN

(Oceanicola
granulosus) 		PF13759
(2OG-FeII_Oxy_5) 		5 ASP A 104
ASN A 204
HIS A 121
HIS A 187
HIS A 119
 None
None
FE  A 217 (-3.4A)
FE  A 217 (-3.4A)
FE  A 217 (-3.1A)
 1.42A 4yhaC-2rg4A:
undetectable		 4yhaC-2rg4A:
19.53
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.
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
 0.36A 4yhaC-2w2jA:
26.2		 4yhaC-2w2jA:
27.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASP A 118
HIS A 121
VAL A 119
VAL A 124
LEU A 178
 None
 1.41A 4yhaC-2z7rA:
undetectable		 4yhaC-2z7rA:
22.35
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
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
None
ZN  A   1 ( 4.7A)
None
 0.39A 4yhaC-2zncA:
24.7		 4yhaC-2zncA:
31.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		8 HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
TRP A 270
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
None
ZN  A 378 ( 4.5A)
None
 0.43A 4yhaC-3b1bA:
25.6		 4yhaC-3b1bA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bvc UNCHARACTERIZED
PROTEIN ISM_01780

(Roseovarius
nubinhibens) 		PF13759
(2OG-FeII_Oxy_5) 		5 ASP A 104
ASN A 204
HIS A 121
HIS A 187
HIS A 119
 None
None
NI  A 304 (-3.6A)
NI  A 304 (-3.5A)
NI  A 304 (-3.6A)
 1.49A 4yhaC-3bvcA:
undetectable		 4yhaC-3bvcA:
20.95
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 HIS A  95
HIS A  97
HIS A 120
VAL A 122
VAL A 144
LEU A 199
THR A 200
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
 0.47A 4yhaC-3da2A:
26.6		 4yhaC-3da2A:
28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A 111
HIS A 113
HIS A 138
VAL A 140
LEU A 219
THR A 220
TRP A 230
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.77A 4yhaC-3fe4A:
22.6		 4yhaC-3fe4A:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A 111
HIS A 113
HIS A 138
VAL A 140
VAL A 161
THR A 220
TRP A 230
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.64A 4yhaC-3fe4A:
22.6		 4yhaC-3fe4A:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ffs INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 ASP A 186
VAL A 187
VAL A 189
LEU A 176
THR A 175
 None
 1.47A 4yhaC-3ffsA:
undetectable		 4yhaC-3ffsA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5w MULTICOPPER OXIDASE
TYPE 1

(Nitrosomonas
europaea) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 148
HIS A 102
HIS A 146
VAL A 151
VAL A 155
 None
 1.35A 4yhaC-3g5wA:
undetectable		 4yhaC-3g5wA:
20.43
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.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 ASP A 186
VAL A 187
VAL A 189
LEU A 176
THR A 175
 None
 1.44A 4yhaC-3khjA:
undetectable		 4yhaC-3khjA:
20.61
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.
3kyf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
putida) 		PF07238
(PilZ)
PF07317
(YcgR) 		5 ASP A  62
HIS A  51
VAL A  50
LEU A  59
THR A  58
 None
 1.18A 4yhaC-3kyfA:
undetectable		 4yhaC-3kyfA:
20.95
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.
3l2h PUTATIVE SUGAR
PHOSPHATE ISOMERASE

(Acidithiobacillus
ferrooxidans) 		PF07883
(Cupin_2) 		5 HIS A 104
HIS A  62
VAL A  71
VAL A 118
THR A  59
 EDO  A 167 (-4.0A)
EDO  A 167 (-4.2A)
None
EDO  A 167 ( 4.9A)
EDO  A 167 ( 3.9A)
 1.23A 4yhaC-3l2hA:
undetectable		 4yhaC-3l2hA:
20.16
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
None
 0.30A 4yhaC-3ml5A:
26.3		 4yhaC-3ml5A:
28.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.49A 4yhaC-3ml5A:
26.3		 4yhaC-3ml5A:
28.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF01053
(Cys_Met_Meta_PP) 		5 ASP A 354
HIS A 275
VAL A 389
LEU A 397
THR A 394
 None
 1.28A 4yhaC-3ndnA:
undetectable		 4yhaC-3ndnA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nnr TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Marinobacter
hydrocarbonoclasticus) 		PF00440
(TetR_N)
PF13972
(TetR) 		5 ASP A  64
HIS A  98
VAL A  63
VAL A  87
THR A 159
 None
UNL  A 230 ( 4.2A)
None
UNL  A 230 ( 4.7A)
None
 1.30A 4yhaC-3nnrA:
undetectable		 4yhaC-3nnrA:
21.46
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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		5 ASP A 219
ASN A 355
HIS A 367
VAL A 217
VAL A 289
 None
 1.06A 4yhaC-3oqqA:
undetectable		 4yhaC-3oqqA:
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		8 HIS A 123
HIS A 125
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-4.9A)
 0.47A 4yhaC-3q31A:
26.0		 4yhaC-3q31A:
29.17
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
VAL A 142
THR A 198
TRP A 208
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
None
 0.44A 4yhaC-3uyqA:
26.7		 4yhaC-3uyqA:
30.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASP A 349
HIS A 341
VAL A  14
VAL A  26
LEU A 368
 None
 1.50A 4yhaC-3w15A:
undetectable		 4yhaC-3w15A:
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ASN A1253
VAL A1278
VAL A1367
LEU A1229
THR A1232
 None
 1.11A 4yhaC-4aygA:
undetectable		 4yhaC-4aygA:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9a PROBABLE EPOXIDE
HYDROLASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ASP A  11
VAL A  26
VAL A  60
LEU A  96
THR A  92
 None
 1.21A 4yhaC-4b9aA:
undetectable		 4yhaC-4b9aA:
22.26
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 HIS A 322
HIS A 353
HIS A 323
VAL A 213
THR A  55
 None
EDO  A 602 (-3.8A)
None
None
None
 1.31A 4yhaC-4dgkA:
undetectable		 4yhaC-4dgkA:
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 HIS A 322
HIS A 353
VAL A  83
VAL A 213
THR A  55
 None
EDO  A 602 (-3.8A)
EDO  A 601 ( 3.9A)
None
None
 1.35A 4yhaC-4dgkA:
undetectable		 4yhaC-4dgkA:
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.
4e9x MULTICOPPER OXIDASE

(uncultured
bacterium) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A1106
HIS A1060
HIS A1104
VAL A1109
VAL A1113
 None
None
CU  A1402 ( 3.2A)
None
None
 1.32A 4yhaC-4e9xA:
undetectable		 4yhaC-4e9xA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eh1 FLAVOHEMOPROTEIN

(Vibrio cholerae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A 204
VAL A 118
VAL A 145
LEU A 137
TRP A 172
 None
 1.46A 4yhaC-4eh1A:
undetectable		 4yhaC-4eh1A:
19.84
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
VAL A 120
LEU A 173
THR A 174
TRP A 184
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
None
 0.31A 4yhaC-4g7aA:
30.4		 4yhaC-4g7aA:
38.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		5 ASN A 231
HIS A 120
HIS A  48
HIS A 234
TRP A 148
 None
 0.77A 4yhaC-4jqsA:
undetectable		 4yhaC-4jqsA:
20.96
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 ASN A  67
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
 0.96A 4yhaC-4qk3A:
26.8		 4yhaC-4qk3A:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 ASN A  67
HIS A  96
VAL A 121
LEU A 198
THR A 199
 None
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
 0.79A 4yhaC-4qk3A:
26.8		 4yhaC-4qk3A:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
 0.38A 4yhaC-4qk3A:
26.8		 4yhaC-4qk3A:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
 1.49A 4yhaC-4qk3A:
26.8		 4yhaC-4qk3A:
30.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 HIS A  97
VAL A 116
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)
 0.42A 4yhaC-4twlA:
29.1		 4yhaC-4twlA:
29.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		9 LYS A  90
HIS A 112
HIS A 114
HIS A 131
VAL A 133
VAL A 143
LEU A 197
THR A 198
TRP A 208
 CL  A 304 ( 4.8A)
ZN  A 298 (-3.2A)
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)
None
 0.49A 4yhaC-4uovA:
30.5		 4yhaC-4uovA:
36.21
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
VAL A 120
LEU A 173
THR A 174
TRP A 184
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
None
 0.34A 4yhaC-4x5sA:
30.8		 4yhaC-4x5sA:
37.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		10 ASP A 107
ASN A 108
HIS A 110
HIS A 112
HIS A 129
VAL A 131
VAL A 141
LEU A 190
THR A 191
TRP A 201
 None
None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
None
None
ZN  A 301 (-4.3A)
None
 0.26A 4yhaC-4xfwA:
38.9		 4yhaC-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		5 HIS A 112
HIS A 129
VAL A 131
LEU A 190
THR A 191
 ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
None
ZN  A 301 (-4.3A)
 1.05A 4yhaC-4xfwA:
38.9		 4yhaC-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		9 LYS A  88
ASP A 107
ASN A 108
HIS A 110
HIS A 129
VAL A 131
VAL A 141
LEU A 190
TRP A 201
 None
None
None
ZN  A 301 (-3.3A)
ZN  A 301 ( 3.1A)
None
None
None
None
 0.58A 4yhaC-4xfwA:
38.9		 4yhaC-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		8 HIS A 160
HIS A 162
HIS A 179
VAL A 181
VAL A 192
LEU A 253
THR A 254
TRP A 264
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
None
 0.32A 4yhaC-4xixA:
25.9		 4yhaC-4xixA:
32.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 HIS A 160
HIS A 162
VAL A 181
LEU A 253
THR A 255
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
 1.44A 4yhaC-4xixA:
25.9		 4yhaC-4xixA:
32.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		8 HIS A 165
HIS A 167
HIS A 184
VAL A 186
VAL A 196
LEU A 251
THR A 252
TRP A 262
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
None
 0.38A 4yhaC-4xz5A:
29.8		 4yhaC-4xz5A:
35.27
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 167
HIS A 184
VAL A 196
LEU A 251
THR A 252
 ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
 1.18A 4yhaC-4xz5A:
29.8		 4yhaC-4xz5A:
35.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
None
 0.42A 4yhaC-5cjfA:
25.8		 4yhaC-5cjfA:
28.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
GOL  A 303 ( 3.5A)
 1.49A 4yhaC-5cjfA:
25.8		 4yhaC-5cjfA:
28.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		6 ASN X  66
HIS X  93
HIS X  95
HIS X 118
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
ZN  X 301 ( 4.4A)
 0.93A 4yhaC-5eztX:
26.3		 4yhaC-5eztX:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 ASN X  66
HIS X  95
VAL X 120
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
None
None
ZN  X 301 ( 4.4A)
 0.79A 4yhaC-5eztX:
26.3		 4yhaC-5eztX:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		8 HIS X  93
HIS X  95
HIS X 118
VAL X 120
VAL X 141
LEU X 196
THR X 197
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
None
None
ZN  X 301 ( 4.4A)
None
 0.32A 4yhaC-5eztX:
26.3		 4yhaC-5eztX:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 HIS X  93
HIS X  95
VAL X 120
LEU X 196
THR X 198
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
None
 1.46A 4yhaC-5eztX:
26.3		 4yhaC-5eztX:
28.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		8 HIS A  96
HIS A  98
HIS A 115
VAL A 117
VAL A 127
LEU A 181
THR A 182
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
 0.38A 4yhaC-5hpjA:
28.8		 4yhaC-5hpjA:
36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		5 HIS A  98
HIS A  96
VAL A 117
LEU A 181
THR A 182
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
 1.28A 4yhaC-5hpjA:
28.8		 4yhaC-5hpjA:
36.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
None
 0.38A 4yhaC-5jn9A:
24.7		 4yhaC-5jn9A:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ASN A 318
VAL A 304
VAL A 328
THR A 269
TRP A 347
 None
 1.45A 4yhaC-5x49A:
undetectable		 4yhaC-5x49A:
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.
6ckp THIOREDOXIN

(Brucella
melitensis) 		no annotation 5 ASP A  14
ASN A  10
VAL A   6
VAL A  57
LEU A  65
 None
 1.29A 4yhaC-6ckpA:
undetectable		 4yhaC-6ckpA:
12.66
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.
6e9p -

(-) 		no annotation 5 ASP A 118
VAL A 117
VAL A 112
LEU A 132
THR A 134
 None
 1.22A 4yhaC-6e9pA:
undetectable		 4yhaC-6e9pA:
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 8 HIS A 117
HIS A 119
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
TRP A 212
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 (-4.4A)
None
 0.35A 4yhaC-6ekiA:
30.6		 4yhaC-6ekiA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 HIS A 117
HIS A 119
VAL A 138
LEU A 201
THR A 203
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
None
None
None
 1.49A 4yhaC-6ekiA:
30.6		 4yhaC-6ekiA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 8 LYS A  95
HIS A 117
HIS A 119
HIS A 136
VAL A 148
LEU A 201
THR A 202
TRP A 212
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 (-4.4A)
None
 0.60A 4yhaC-6ekiA:
30.6		 4yhaC-6ekiA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
None
 0.44A 4yhaC-6fe1A:
25.0		 4yhaC-6fe1A:
21.29