SIMILAR PATTERNS OF AMINO ACIDS FOR 3CZV_A_AZMA263

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) 		9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
None
 0.24A 3czvA-1jd0A:
36.7
3czvB-1jd0A:
36.4		 3czvA-1jd0A:
36.23
3czvB-1jd0A:
36.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		5 GLN A  69
HIS A  92
HIS A  94
HIS A 111
THR A 177
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-3.4A)
 0.89A 3czvA-1kopA:
30.0
3czvB-1kopA:
30.2		 3czvA-1kopA:
32.21
3czvB-1kopA:
32.21
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
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
TRP A 187
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
None
 0.56A 3czvA-1kopA:
30.0
3czvB-1kopA:
30.2		 3czvA-1kopA:
32.21
3czvB-1kopA:
32.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		6 VAL E 165
PHE E 167
VAL E 153
LEU E 123
THR E  33
VAL E 136
 None
 1.34A 3czvA-1qrpE:
undetectable
3czvB-1qrpE:
undetectable		 3czvA-1qrpE:
23.55
3czvB-1qrpE:
23.55
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
HIS A 119
LEU A 198
THR A 199
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 0.86A 3czvA-1rj6A:
36.9
3czvB-1rj6A:
37.0		 3czvA-1rj6A:
37.17
3czvB-1rj6A:
37.17
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
VAL A 121
LEU A 198
THR A 199
 None
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)
 1.18A 3czvA-1rj6A:
36.9
3czvB-1rj6A:
37.0		 3czvA-1rj6A:
37.17
3czvB-1rj6A:
37.17
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
None
 0.44A 3czvA-1rj6A:
36.9
3czvB-1rj6A:
37.0		 3czvA-1rj6A:
37.17
3czvB-1rj6A:
37.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 AZM  A 400 (-4.3A)
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)
 1.49A 3czvA-1rj6A:
36.9
3czvB-1rj6A:
37.0		 3czvA-1rj6A:
37.17
3czvB-1rj6A:
37.17
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 741
HIS A 821
PHE A 991
THR A 893
VAL A 996
 MG  A2123 (-3.0A)
MG  A2123 (-3.1A)
IBM  A2111 (-3.6A)
None
None
 1.23A 3czvA-1sojA:
undetectable
3czvB-1sojA:
undetectable		 3czvA-1sojA:
21.65
3czvB-1sojA:
21.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  67
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
 1.06A 3czvA-1urtA:
37.6
3czvB-1urtA:
37.4		 3czvA-1urtA:
46.39
3czvB-1urtA:
46.39
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) 		9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
ZN  A 280 ( 4.9A)
None
 0.56A 3czvA-1urtA:
37.6
3czvB-1urtA:
37.4		 3czvA-1urtA:
46.39
3czvB-1urtA:
46.39
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
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 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.46A 3czvA-1y7wA:
26.0
3czvB-1y7wA:
25.8		 3czvA-1y7wA:
29.08
3czvB-1y7wA:
29.08
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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 216
HIS A 252
PHE A 416
THR A 321
VAL A 421
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.3A)
IBM  A 503 (-3.4A)
None
None
 1.18A 3czvA-1zklA:
undetectable
3czvB-1zklA:
undetectable		 3czvA-1zklA:
19.72
3czvB-1zklA:
19.72
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 VAL A 239
VAL A 250
LEU A 256
VAL A 189
VAL A 176
 None
MTV  A1479 (-3.8A)
None
None
None
 1.24A 3czvA-2bihA:
undetectable
3czvB-2bihA:
undetectable		 3czvA-2bihA:
20.73
3czvB-2bihA:
20.73
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 VAL A 239
VAL A 250
LEU A 256
VAL A 189
VAL A 176
 None
MTV  A1479 (-3.8A)
None
None
None
 1.24A 3czvA-2biiA:
undetectable
3czvB-2biiA:
undetectable		 3czvA-2biiA:
21.15
3czvB-2biiA:
21.15
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.
2hf0 BILE SALT HYDROLASE

(Bifidobacterium
longum) 		PF02275
(CBAH) 		5 VAL A 153
PHE A 104
VAL A 162
VAL A 115
VAL A 108
 None
 1.11A 3czvA-2hf0A:
undetectable
3czvB-2hf0A:
undetectable		 3czvA-2hf0A:
20.49
3czvB-2hf0A:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
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
 0.35A 3czvA-2it4A:
42.5
3czvB-2it4A:
42.3		 3czvA-2it4A:
60.55
3czvB-2it4A:
60.55
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) 		6 HIS A  96
PHE A  91
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 561 ( 3.2A)
None
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.99A 3czvA-2it4A:
42.5
3czvB-2it4A:
42.3		 3czvA-2it4A:
60.55
3czvB-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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 HIS A  51
HIS A 304
HIS A  82
VAL A  80
VAL A 427
 None
TDP  A1001 ( 4.8A)
TDP  A1001 (-3.9A)
TDP  A1001 ( 4.7A)
None
 1.15A 3czvA-2o1xA:
undetectable
3czvB-2o1xA:
undetectable		 3czvA-2o1xA:
18.90
3czvB-2o1xA:
18.90
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 HIS A 299
VAL A 301
PHE A 316
VAL A 273
VAL A 258
 None
None
GOL  A3003 (-4.7A)
None
None
 1.24A 3czvA-2okxA:
undetectable
3czvB-2okxA:
undetectable		 3czvA-2okxA:
14.81
3czvB-2okxA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p0u STILBENECARBOXYLATE
SYNTHASE 2

(Marchantia
polymorpha) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 360
LEU A 189
THR A 187
VAL A 188
VAL A 240
 None
 1.23A 3czvA-2p0uA:
undetectable
3czvB-2p0uA:
undetectable		 3czvA-2p0uA:
20.39
3czvB-2p0uA:
20.39
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 376
HIS A 412
PHE A 584
THR A 483
VAL A 589
 ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
NPV  A   3 (-3.3A)
MG  A   2 ( 4.9A)
None
 1.13A 3czvA-2qykA:
undetectable
3czvB-2qykA:
undetectable		 3czvA-2qykA:
20.62
3czvB-2qykA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE MU

(Homo sapiens) 		PF00041
(fn3)
PF00047
(ig)
PF00629
(MAM) 		5 HIS A  75
VAL A 137
PHE A 139
VAL A  98
LEU A 125
 None
 1.15A 3czvA-2v5yA:
undetectable
3czvB-2v5yA:
undetectable		 3czvA-2v5yA:
18.58
3czvB-2v5yA:
18.58
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
 0.26A 3czvA-2w2jA:
36.9
3czvB-2w2jA:
36.8		 3czvA-2w2jA:
38.00
3czvB-2w2jA:
38.00
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.
2w9y FATTY ACID/RETINOL
BINDING PROTEIN
PROTEIN 7, ISOFORM
A, CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF05823
(Gp-FAR-1) 		5 VAL A  67
LEU A  97
THR A  94
VAL A  93
VAL A   3
 None
 1.08A 3czvA-2w9yA:
undetectable
3czvB-2w9yA:
undetectable		 3czvA-2w9yA:
21.67
3czvB-2w9yA:
21.67
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.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 VAL B 144
PHE B 223
VAL B 213
THR B 273
VAL B 326
 None
 1.16A 3czvA-2yevB:
undetectable
3czvB-2yevB:
undetectable		 3czvA-2yevB:
23.69
3czvB-2yevB:
23.69
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
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
None
ZN  A   1 ( 4.7A)
None
 0.51A 3czvA-2zncA:
31.4
3czvB-2zncA:
31.1		 3czvA-2zncA:
33.21
3czvB-2zncA:
33.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zs0 EXTRACELLULAR GIANT
HEMOGLOBIN MAJOR
GLOBIN SUBUNIT B1

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		5 HIS D  96
PHE D  50
VAL D  68
VAL D 107
VAL D  45
 HEM  D 200 (-3.3A)
HEM  D 200 ( 4.3A)
HEM  D 200 (-4.0A)
HEM  D 200 (-3.9A)
HEM  D 200 ( 4.9A)
 1.08A 3czvA-2zs0D:
undetectable
3czvB-2zs0D:
undetectable		 3czvA-2zs0D:
19.38
3czvB-2zs0D:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 PHE B 207
LEU B 179
THR B 176
VAL B 175
VAL B 249
 None
 1.18A 3czvA-3aeqB:
undetectable
3czvB-3aeqB:
undetectable		 3czvA-3aeqB:
17.68
3czvB-3aeqB:
17.68
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 GLN A 115
HIS A 163
HIS A 165
HIS A 182
THR A 260
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
ZN  A 378 ( 4.5A)
 0.84A 3czvA-3b1bA:
25.6
3czvB-3b1bA:
25.5		 3czvA-3b1bA:
24.48
3czvB-3b1bA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		9 GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
TRP A 270
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
None
ZN  A 378 ( 4.5A)
None
 0.53A 3czvA-3b1bA:
25.6
3czvB-3b1bA:
25.5		 3czvA-3b1bA:
24.48
3czvB-3b1bA:
24.48
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) 		11 GLN A  93
HIS A  95
HIS A  97
HIS A 120
VAL A 122
PHE A 132
VAL A 144
LEU A 199
THR A 200
VAL A 201
TRP A 210
 4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.6A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.2A)
None
 0.60A 3czvA-3da2A:
45.6
3czvB-3da2A:
45.9		 3czvA-3da2A:
100.00
3czvB-3da2A:
100.00
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) 		5 HIS A  97
VAL A 122
LEU A 199
THR A 200
VAL A 201
 ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.2A)
 0.91A 3czvA-3da2A:
45.6
3czvB-3da2A:
45.9		 3czvA-3da2A:
100.00
3czvB-3da2A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLN A  87
HIS A  84
HIS A  82
PHE A 108
VAL A 169
 None
ZN  A1452 (-3.1A)
ZN  A1452 (-3.3A)
None
None
 0.90A 3czvA-3e0lA:
undetectable
3czvB-3e0lA:
undetectable		 3czvA-3e0lA:
20.95
3czvB-3e0lA:
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.
3ejf NON-STRUCTURAL
PROTEIN 3

(Avian
coronavirus) 		PF01661
(Macro) 		5 HIS A  45
VAL A  49
PHE A 157
VAL A  90
VAL A 123
 None
 1.14A 3czvA-3ejfA:
undetectable
3czvB-3ejfA:
undetectable		 3czvA-3ejfA:
17.76
3czvB-3ejfA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewo NON-STRUCTURAL
PROTEIN 3

(Avian
coronavirus) 		PF01661
(Macro) 		5 HIS A  47
VAL A  51
PHE A 159
VAL A  92
VAL A 125
 None
 1.12A 3czvA-3ewoA:
undetectable
3czvB-3ewoA:
undetectable		 3czvA-3ewoA:
21.85
3czvB-3ewoA:
21.85
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) 		8 GLN A 109
HIS A 111
HIS A 113
HIS A 138
VAL A 140
VAL A 161
LEU A 219
TRP A 230
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.68A 3czvA-3fe4A:
31.0
3czvB-3fe4A:
30.7		 3czvA-3fe4A:
33.57
3czvB-3fe4A:
33.57
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) 		8 HIS A 111
HIS A 113
HIS A 138
VAL A 140
VAL A 161
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
 0.67A 3czvA-3fe4A:
31.0
3czvB-3fe4A:
30.7		 3czvA-3fe4A:
33.57
3czvB-3fe4A:
33.57
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.
3hdp GLYOXALASE-I

(Clostridium
acetobutylicum) 		PF13669
(Glyoxalase_4) 		5 HIS A   5
HIS A  75
VAL A 112
VAL A  54
VAL A  32
 NI  A 129 (-3.5A)
NI  A 129 (-3.5A)
None
None
None
 1.21A 3czvA-3hdpA:
undetectable
3czvB-3hdpA:
undetectable		 3czvA-3hdpA:
20.00
3czvB-3hdpA:
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.
3hm4 CHEMOTAXIS PROTEIN
CHEX

(Desulfovibrio
alaskensis) 		PF13690
(CheX) 		5 VAL A  61
PHE A  63
LEU A  20
VAL A  19
VAL A  71
 None
 1.05A 3czvA-3hm4A:
undetectable
3czvB-3hm4A:
undetectable		 3czvA-3hm4A:
23.08
3czvB-3hm4A:
23.08
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.
3hm4 CHEMOTAXIS PROTEIN
CHEX

(Desulfovibrio
alaskensis) 		PF13690
(CheX) 		5 VAL A  61
VAL A 150
LEU A  20
VAL A  19
VAL A  71
 None
 0.98A 3czvA-3hm4A:
undetectable
3czvB-3hm4A:
undetectable		 3czvA-3hm4A:
23.08
3czvB-3hm4A:
23.08
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.
3jvd TRANSCRIPTIONAL
REGULATORS

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 HIS A 210
VAL A 226
THR A 208
VAL A 207
VAL A 169
 None
 1.23A 3czvA-3jvdA:
undetectable
3czvB-3jvdA:
undetectable		 3czvA-3jvdA:
20.64
3czvB-3jvdA:
20.64
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.
3kv6 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1D

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		5 HIS A 354
HIS A 282
VAL A 348
VAL A 290
VAL A 340
 FE2  A 491 (-3.4A)
FE2  A 491 ( 3.6A)
None
None
None
 1.01A 3czvA-3kv6A:
undetectable
3czvB-3kv6A:
undetectable		 3czvA-3kv6A:
19.34
3czvB-3kv6A:
19.34
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.
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)
 1.15A 3czvA-3l2hA:
undetectable
3czvB-3l2hA:
undetectable		 3czvA-3l2hA:
21.74
3czvB-3l2hA:
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.
3l40 BRCT-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		PF16770
(RTT107_BRCT_5) 		5 VAL A 777
VAL A 823
LEU A 855
THR A 858
VAL A 859
 None
 1.00A 3czvA-3l40A:
undetectable
3czvB-3l40A:
undetectable		 3czvA-3l40A:
22.78
3czvB-3l40A:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
HIS A  96
HIS A 119
THR A 199
 None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-3.4A)
 0.91A 3czvA-3ml5A:
42.7
3czvB-3ml5A:
42.6		 3czvA-3ml5A:
52.99
3czvB-3ml5A:
52.99
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
HIS A 119
VAL A 121
PHE A 131
VAL A 143
LEU A 198
THR A 199
TRP A 209
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 (-4.4A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
None
 0.48A 3czvA-3ml5A:
42.7
3czvB-3ml5A:
42.6		 3czvA-3ml5A:
52.99
3czvB-3ml5A:
52.99
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 238
HIS A 274
PHE A 446
THR A 345
VAL A 451
 ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZG2  A 506 (-3.6A)
MG  A 504 ( 4.9A)
None
 1.21A 3czvA-3o57A:
undetectable
3czvB-3o57A:
undetectable		 3czvA-3o57A:
21.27
3czvB-3o57A:
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 VAL A 165
VAL A 153
LEU A 123
THR A  33
VAL A 136
 None
 1.23A 3czvA-3psgA:
undetectable
3czvB-3psgA:
undetectable		 3czvA-3psgA:
21.18
3czvB-3psgA:
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) 		5 GLN A 102
HIS A 123
HIS A 125
HIS A 142
THR A 215
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
 0.87A 3czvA-3q31A:
24.3
3czvB-3q31A:
24.4		 3czvA-3q31A:
27.97
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		5 GLN A 102
HIS A 123
HIS A 125
VAL A 144
THR A 215
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.3A)
 1.10A 3czvA-3q31A:
24.3
3czvB-3q31A:
24.4		 3czvA-3q31A:
27.97
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		9 GLN A 121
HIS A 123
HIS A 125
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-4.9A)
 0.60A 3czvA-3q31A:
24.3
3czvB-3q31A:
24.4		 3czvA-3q31A:
27.97
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		5 HIS A 123
HIS A 125
VAL A 144
LEU A 214
THR A 215
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
 1.15A 3czvA-3q31A:
24.3
3czvB-3q31A:
24.4		 3czvA-3q31A:
27.97
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 VAL A 298
LEU A 173
THR A 174
TRP A 179
VAL A 237
 None
 1.19A 3czvA-3rcnA:
undetectable
3czvB-3rcnA:
undetectable		 3czvA-3rcnA:
18.48
3czvB-3rcnA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 164
HIS A 200
PHE A 372
THR A 271
VAL A 377
 HIS  A 164 (-1.0A)
HIS  A 200 (-1.0A)
PHE  A 372 (-1.3A)
THR  A 271 ( 0.8A)
VAL  A 377 ( 0.6A)
 1.20A 3czvA-3sl5A:
undetectable
3czvB-3sl5A:
undetectable		 3czvA-3sl5A:
20.73
3czvB-3sl5A:
20.73
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.
3u1t DMMA HALOALKANE
DEHALOGENASE

(unidentified) 		PF00561
(Abhydrolase_1) 		5 PHE A 166
VAL A 307
LEU A 298
VAL A 294
VAL A 171
 None
 1.22A 3czvA-3u1tA:
undetectable
3czvB-3u1tA:
undetectable		 3czvA-3u1tA:
21.17
3czvB-3u1tA:
21.17
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) 		9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 130
VAL A 142
THR A 198
TRP A 208
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
None
None
ZN  A 261 ( 4.4A)
None
 0.60A 3czvA-3uyqA:
41.5
3czvB-3uyqA:
41.5		 3czvA-3uyqA:
59.16
3czvB-3uyqA:
59.16
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.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		5 GLN A  56
PHE A 179
VAL A  39
LEU A  48
VAL A 143
 None
 1.12A 3czvA-3wwpA:
undetectable
3czvB-3wwpA:
undetectable		 3czvA-3wwpA:
20.26
3czvB-3wwpA:
20.26
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 VAL A 522
PHE A 503
LEU A 491
VAL A 537
VAL A 471
 None
 1.20A 3czvA-4aieA:
undetectable
3czvB-4aieA:
undetectable		 3czvA-4aieA:
21.28
3czvB-4aieA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  89
HIS A  91
HIS A 108
THR A 174
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.4A)
 0.90A 3czvA-4g7aA:
29.4
3czvB-4g7aA:
29.5		 3czvA-4g7aA:
32.28
3czvB-4g7aA:
32.28
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
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
TRP A 184
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
None
 0.50A 3czvA-4g7aA:
29.4
3czvB-4g7aA:
29.5		 3czvA-4g7aA:
32.28
3czvB-4g7aA:
32.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6j ARYL HYDROCARBON
NUCLEAR TRANSLOCATOR

(Homo sapiens) 		PF14598
(PAS_11) 		5 HIS B 367
PHE B 429
LEU B 391
VAL B 376
VAL B 384
 None
 1.19A 3czvA-4h6jB:
undetectable
3czvB-4h6jB:
undetectable		 3czvA-4h6jB:
14.72
3czvB-4h6jB:
14.72
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		5 HIS A 120
HIS A  48
HIS A 234
PHE A 216
TRP A 148
 None
 0.79A 3czvA-4jqsA:
undetectable
3czvB-4jqsA:
undetectable		 3czvA-4jqsA:
19.86
3czvB-4jqsA:
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.
4kc8 GLYCOSIDE HYDROLASE,
FAMILY 43

(Thermotoga
petrophila) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 VAL A 411
PHE A 382
THR A 432
VAL A 433
VAL A 464
 None
 1.17A 3czvA-4kc8A:
undetectable
3czvB-4kc8A:
undetectable		 3czvA-4kc8A:
18.82
3czvB-4kc8A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF00132
(Hexapep)
PF05523
(FdtA) 		5 VAL A  59
PHE A  79
THR A  54
VAL A  53
VAL A  99
 None
 1.24A 3czvA-4mzuA:
undetectable
3czvB-4mzuA:
undetectable		 3czvA-4mzuA:
18.96
3czvB-4mzuA:
18.96
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) 		10 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 131
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
None
ZN  A 301 ( 4.4A)
None
 0.47A 3czvA-4qk3A:
40.9
3czvB-4qk3A:
40.4		 3czvA-4qk3A:
58.78
3czvB-4qk3A:
58.78
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 199
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
 1.08A 3czvA-4qk3A:
40.9
3czvB-4qk3A:
40.4		 3czvA-4qk3A:
58.78
3czvB-4qk3A:
58.78
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 HIS B 440
VAL B 438
THR B 381
VAL B 382
VAL B 362
 None
 1.18A 3czvA-4tqoB:
undetectable
3czvB-4tqoB:
undetectable		 3czvA-4tqoB:
17.13
3czvB-4tqoB:
17.13
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.
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)
 0.34A 3czvA-4twlA:
28.4
3czvB-4twlA:
28.4		 3czvA-4twlA:
28.52
3czvB-4twlA:
28.52
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
HIS A 131
VAL A 133
VAL A 143
LEU A 197
THR A 198
TRP A 208
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
None
 0.51A 3czvA-4uovA:
31.1
3czvB-4uovA:
31.2		 3czvA-4uovA:
35.13
3czvB-4uovA:
35.13
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 410
HIS A 446
PHE A 618
THR A 517
VAL A 623
 ZN  A 801 (-3.2A)
ZN  A 801 (-3.2A)
None
None
None
 1.18A 3czvA-4wziA:
undetectable
3czvB-4wziA:
undetectable		 3czvA-4wziA:
17.21
3czvB-4wziA:
17.21
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) 		5 GLN A  67
HIS A  89
HIS A  91
HIS A 108
THR A 174
 None
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.3A)
 0.88A 3czvA-4x5sA:
29.8
3czvB-4x5sA:
29.9		 3czvA-4x5sA:
35.06
3czvB-4x5sA:
35.06
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
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
TRP A 184
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
None
 0.51A 3czvA-4x5sA:
29.8
3czvB-4x5sA:
29.9		 3czvA-4x5sA:
35.06
3czvB-4x5sA:
35.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		8 HIS A 110
HIS A 112
HIS A 129
VAL A 131
VAL A 141
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
None
ZN  A 301 (-4.3A)
None
 0.42A 3czvA-4xfwA:
26.6
3czvB-4xfwA:
26.7		 3czvA-4xfwA:
28.57
3czvB-4xfwA:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 GLN A 138
HIS A 160
HIS A 162
LEU A 253
THR A 254
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
 0.87A 3czvA-4xixA:
26.1
3czvB-4xixA:
26.0		 3czvA-4xixA:
30.74
3czvB-4xixA:
30.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 GLN A 138
HIS A 160
HIS A 162
VAL A 181
LEU A 253
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
 1.12A 3czvA-4xixA:
26.1
3czvB-4xixA:
26.0		 3czvA-4xixA:
30.74
3czvB-4xixA:
30.74
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 GLN A 158
HIS A 160
HIS A 162
HIS A 179
VAL A 181
VAL A 192
LEU A 253
THR A 254
TRP A 264
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
None
 0.52A 3czvA-4xixA:
26.1
3czvB-4xixA:
26.0		 3czvA-4xixA:
30.74
3czvB-4xixA:
30.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 GLN A 158
HIS A 160
HIS A 162
VAL A 181
LEU A 253
THR A 255
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
 1.49A 3czvA-4xixA:
26.1
3czvB-4xixA:
26.0		 3czvA-4xixA:
30.74
3czvB-4xixA:
30.74
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 GLN A 163
HIS A 165
HIS A 167
HIS A 184
VAL A 186
VAL A 196
LEU A 251
THR A 252
TRP A 262
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
None
 0.53A 3czvA-4xz5A:
29.8
3czvB-4xz5A:
29.5		 3czvA-4xz5A:
30.91
3czvB-4xz5A:
30.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
HIS A  96
HIS A 119
THR A 199
 GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.4A)
 0.89A 3czvA-5cjfA:
36.5
3czvB-5cjfA:
36.1		 3czvA-5cjfA:
37.78
3czvB-5cjfA:
37.78
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
None
 0.52A 3czvA-5cjfA:
36.5
3czvB-5cjfA:
36.1		 3czvA-5cjfA:
37.78
3czvB-5cjfA:
37.78
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
PHE A 187
LEU A 256
THR A 257
TRP A 267
 None
 0.59A 3czvA-5e5uA:
33.6
3czvB-5e5uA:
33.5		 3czvA-5e5uA:
32.10
3czvB-5e5uA:
32.10
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
HIS X 118
VAL X 120
PHE X 129
VAL X 141
LEU X 196
THR X 197
TRP X 207
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
None
None
None
ZN  X 301 ( 4.4A)
None
 0.51A 3czvA-5eztX:
43.1
3czvB-5eztX:
42.5		 3czvA-5eztX:
58.71
3czvB-5eztX:
58.71
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) 		6 HIS X  93
HIS X  95
VAL X 120
PHE X 129
LEU X 196
THR X 198
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
None
None
 1.46A 3czvA-5eztX:
43.1
3czvB-5eztX:
42.5		 3czvA-5eztX:
58.71
3czvB-5eztX:
58.71
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		5 GLN A 281
HIS A 284
HIS A 289
PHE A 342
LEU A 331
 None
MN  A 606 (-3.7A)
MN  A 606 (-3.4A)
None
None
 1.15A 3czvA-5fnoA:
undetectable
3czvB-5fnoA:
undetectable		 3czvA-5fnoA:
17.61
3czvB-5fnoA:
17.61
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.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		5 GLN A 287
HIS A 290
HIS A 294
PHE A 347
LEU A 336
 None
MN  A1000 (-3.5A)
MN  A1000 (-3.3A)
None
None
 1.14A 3czvA-5fx8A:
undetectable
3czvB-5fx8A:
undetectable		 3czvA-5fx8A:
16.67
3czvB-5fx8A:
16.67
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 GLN A  94
HIS A  96
HIS A  98
HIS A 115
VAL A 117
VAL A 127
LEU A 181
THR A 182
TRP A 192
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
 0.58A 3czvA-5hpjA:
28.8
3czvB-5hpjA:
28.9		 3czvA-5hpjA:
30.68
3czvB-5hpjA:
30.68
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
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
None
 0.48A 3czvA-5jn9A:
32.3
3czvB-5jn9A:
32.3		 3czvA-5jn9A:
33.21
3czvB-5jn9A:
33.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 HIS A 410
HIS A 446
PHE A 618
THR A 517
VAL A 623
 ZN  A 699 (-3.3A)
ZN  A 699 (-3.2A)
9VE  A 801 (-3.9A)
None
None
 1.11A 3czvA-5ohjA:
undetectable
3czvB-5ohjA:
undetectable		 3czvA-5ohjA:
14.92
3czvB-5ohjA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		5 VAL A 165
VAL A 153
LEU A 123
THR A  33
VAL A 136
 None
 1.18A 3czvA-5pepA:
undetectable
3czvB-5pepA:
undetectable		 3czvA-5pepA:
21.99
3czvB-5pepA:
21.99
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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 5 HIS A  87
HIS A 122
PHE A 291
THR A 193
VAL A 296
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.3A)
None
MG  A 402 ( 4.9A)
None
 1.19A 3czvA-5vydA:
undetectable
3czvB-5vydA:
undetectable		 3czvA-5vydA:
20.29
3czvB-5vydA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 HIS A 164
HIS A 200
PHE A 372
THR A 271
VAL A 377
 ZN  A 602 (-3.3A)
ZN  A 602 (-3.3A)
AKJ  A 601 (-4.1A)
MG  A 603 ( 4.9A)
None
 1.14A 3czvA-5wh6A:
undetectable
3czvB-5wh6A:
undetectable		 3czvA-5wh6A:
undetectable
3czvB-5wh6A:
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.
5xnx BIFUNCTIONAL
(P)PPGPP
SYNTHASE/HYDROLASE
RELA

(Mycobacterium
tuberculosis) 		PF04607
(RelA_SpoT)
PF13328
(HD_4) 		5 HIS A 287
VAL A 285
THR A 314
VAL A 326
VAL A 239
 None
 1.22A 3czvA-5xnxA:
undetectable
3czvB-5xnxA:
undetectable		 3czvA-5xnxA:
22.93
3czvB-5xnxA:
22.93
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.
5y7y ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR

(Bos taurus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 HIS B 367
PHE B 429
LEU B 391
VAL B 376
VAL B 384
 None
 1.22A 3czvA-5y7yB:
undetectable
3czvB-5y7yB:
undetectable		 3czvA-5y7yB:
21.50
3czvB-5y7yB:
21.50
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.
6acd -

(-) 		no annotation 5 VAL A 562
PHE A 529
LEU A 538
THR A 539
VAL A 313
 None
 1.20A 3czvA-6acdA:
undetectable
3czvB-6acdA:
undetectable		 3czvA-6acdA:
undetectable
3czvB-6acdA:
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.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 5 VAL A 343
LEU A 171
THR A 169
VAL A 170
VAL A 223
 None
 1.21A 3czvA-6co0A:
undetectable
3czvB-6co0A:
undetectable		 3czvA-6co0A:
15.04
3czvB-6co0A:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 HIS A  61
HIS A  63
HIS A 105
THR A  68
VAL A  22
 MN  A 303 ( 3.3A)
MN  A 303 (-3.4A)
MN  A 303 (-3.4A)
MN  A 303 ( 4.9A)
None
 1.14A 3czvA-6d0pA:
undetectable
3czvB-6d0pA:
undetectable		 3czvA-6d0pA:
18.75
3czvB-6d0pA:
18.75
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 9 GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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
None
ZN  A 301 (-4.4A)
None
 0.50A 3czvA-6ekiA:
30.2
3czvB-6ekiA:
30.2		 3czvA-6ekiA:
19.07
3czvB-6ekiA:
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
None
 0.47A 3czvA-6fe1A:
33.6
3czvB-6fe1A:
33.6		 3czvA-6fe1A:
15.98
3czvB-6fe1A:
15.98
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 GLN A  92
HIS A  94
HIS A 119
LEU A 198
TRP A 209
VAL A 131
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-3.6A)
None
V14  A 302 ( 4.6A)
 1.39A 3czvA-6fe1A:
33.6
3czvB-6fe1A:
33.6		 3czvA-6fe1A:
15.98
3czvB-6fe1A:
15.98