SIMILAR PATTERNS OF AMINO ACIDS FOR 1EKJ_A_ACTA3003

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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		4 CYH A 287
ASP A 266
CYH A 264
GLY A 268
 ZN  A 600 (-2.2A)
None
ZN  A 600 (-2.3A)
None
 0.99A 1ekjA-1dcqA:
undetectable
1ekjB-1dcqA:
undetectable		 1ekjA-1dcqA:
22.79
1ekjB-1dcqA:
22.79
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 TYR A 190
CYH A 403
HIS A 459
CYH A 462
GLY A 463
 None
ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-2.2A)
None
 0.35A 1ekjA-1ddzA:
19.0
1ekjB-1ddzA:
18.5		 1ekjA-1ddzA:
19.38
1ekjB-1ddzA:
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 TYR A 190
CYH A 403
HIS A 459
CYH A 462
GLY A 464
 None
ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-2.2A)
None
 0.98A 1ekjA-1ddzA:
19.0
1ekjB-1ddzA:
18.5		 1ekjA-1ddzA:
19.38
1ekjB-1ddzA:
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 TYR A 444
CYH A 149
HIS A 205
CYH A 208
GLY A 209
 None
ZN  A   1 (-2.4A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
ZN  A   1 (-4.7A)
 0.34A 1ekjA-1ddzA:
19.0
1ekjB-1ddzA:
18.5		 1ekjA-1ddzA:
19.38
1ekjB-1ddzA:
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 TYR A 444
CYH A 149
HIS A 205
CYH A 208
GLY A 210
 None
ZN  A   1 (-2.4A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
None
 1.07A 1ekjA-1ddzA:
19.0
1ekjB-1ddzA:
18.5		 1ekjA-1ddzA:
19.38
1ekjB-1ddzA:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 CYH A 160
ASP A 162
HIS A 220
CYH A 223
GLY A 225
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.7A)
 1.01A 1ekjA-1ekjA:
34.8
1ekjB-1ekjA:
31.7		 1ekjA-1ekjA:
100.00
1ekjB-1ekjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		6 CYH A 160
ASP A 162
VAL A 184
HIS A 220
CYH A 223
GLY A 224
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ACT  A3001 ( 4.9A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.4A)
 0.24A 1ekjA-1ekjA:
34.8
1ekjB-1ekjA:
31.7		 1ekjA-1ekjA:
100.00
1ekjB-1ekjA:
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.
1g5c BETA-CARBONIC
ANHYDRASE

(Methanothermobacter
thermautotrophicus) 		PF00484
(Pro_CA) 		5 CYH A  32
ASP A  34
HIS A  87
CYH A  90
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.70A 1ekjA-1g5cA:
13.4
1ekjB-1g5cA:
13.1		 1ekjA-1g5cA:
24.07
1ekjB-1g5cA:
24.07
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.
1s24 RUBREDOXIN 2

(Pseudomonas
oleovorans) 		PF00301
(Rubredoxin) 		4 CYH A  40
ASP A  42
CYH A  10
GLY A  11
 CD  A  57 (-2.5A)
None
CD  A  57 (-2.4A)
None
 0.89A 1ekjA-1s24A:
undetectable
1ekjB-1s24A:
undetectable		 1ekjA-1s24A:
18.31
1ekjB-1s24A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v4n 271AA LONG
HYPOTHETICAL
5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfurisphaera
tokodaii) 		PF01048
(PNP_UDP_1) 		4 TYR A 101
ASP A 159
VAL A 107
GLY A 161
 None
 0.92A 1ekjA-1v4nA:
undetectable
1ekjB-1v4nA:
2.7		 1ekjA-1v4nA:
22.70
1ekjB-1v4nA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wfk ZINC FINGER, FYVE
DOMAIN CONTAINING 19

(Mus musculus) 		PF01363
(FYVE) 		4 CYH A  12
VAL A  17
CYH A  39
GLY A  38
 ZN  A 200 (-2.3A)
None
ZN  A 200 (-2.2A)
None
 0.84A 1ekjA-1wfkA:
undetectable
1ekjB-1wfkA:
undetectable		 1ekjA-1wfkA:
17.89
1ekjB-1wfkA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x61 THYROID RECEPTOR
INTERACTING PROTEIN
6

(Homo sapiens) 		PF00412
(LIM) 		4 GLN A  46
CYH A  39
CYH A  60
GLY A  59
 None
ZN  A 401 (-2.3A)
ZN  A 401 (-2.3A)
None
 0.98A 1ekjA-1x61A:
undetectable
1ekjB-1x61A:
undetectable		 1ekjA-1x61A:
16.06
1ekjB-1x61A:
16.06
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.
1zgh METHIONYL-TRNA
FORMYLTRANSFERASE

(Ruminiclostridium
thermocellum) 		PF00551
(Formyl_trans_N) 		4 ASP A 110
VAL A 161
HIS A  74
GLY A  84
 None
 0.89A 1ekjA-1zghA:
undetectable
1ekjB-1zghA:
undetectable		 1ekjA-1zghA:
22.66
1ekjB-1zghA:
22.66
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 CYH A  51
ASP A  53
HIS A 104
CYH A 107
GLY A 108
 ZN  A 401 ( 2.3A)
SCN  A 501 (-4.0A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 2.3A)
SCN  A 501 (-4.2A)
 0.23A 1ekjA-2a5vA:
19.4
1ekjB-2a5vA:
19.3		 1ekjA-2a5vA:
29.49
1ekjB-2a5vA:
29.49
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.
2b0o UPLC1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		4 CYH E 464
ASP E 443
CYH E 441
GLY E 445
 ZN  E 698 (-2.3A)
None
ZN  E 698 (-2.3A)
None
 1.00A 1ekjA-2b0oE:
undetectable
1ekjB-2b0oE:
undetectable		 1ekjA-2b0oE:
23.57
1ekjB-2b0oE:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d7q FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		4 TYR A  83
ASP A  10
VAL A  14
GLY A  40
 None
 0.92A 1ekjA-2d7qA:
undetectable
1ekjB-2d7qA:
undetectable		 1ekjA-2d7qA:
21.08
1ekjB-2d7qA:
21.08
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.
2d9k FLN29 GENE PRODUCT

(Homo sapiens) 		no annotation 4 CYH A  46
HIS A  61
CYH A  65
GLY A  66
 ZN  A 601 (-2.3A)
ZN  A 601 (-3.1A)
ZN  A 601 (-2.3A)
None
 0.84A 1ekjA-2d9kA:
undetectable
1ekjB-2d9kA:
undetectable		 1ekjA-2d9kA:
15.70
1ekjB-2d9kA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2egp TRIPARTITE
MOTIF-CONTAINING
PROTEIN 34

(Homo sapiens) 		PF13445
(zf-RING_UBOX) 		4 CYH A  59
VAL A  58
CYH A  30
GLY A  31
 ZN  A 400 (-2.3A)
ZN  A 400 ( 4.6A)
ZN  A 400 (-2.3A)
None
 0.92A 1ekjA-2egpA:
undetectable
1ekjB-2egpA:
undetectable		 1ekjA-2egpA:
14.55
1ekjB-2egpA:
14.55
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.
2eli PROTEIN KINASE C
ALPHA TYPE

(Homo sapiens) 		PF00130
(C1_1) 		4 CYH A  48
HIS A  18
CYH A  67
GLY A  68
 ZN  A 201 (-2.3A)
ZN  A 201 (-3.1A)
ZN  A 201 ( 2.2A)
None
 0.94A 1ekjA-2eliA:
undetectable
1ekjB-2eliA:
undetectable		 1ekjA-2eliA:
25.83
1ekjB-2eliA:
25.83
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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		4 CYH A  42
ASP A  44
HIS A  98
GLY A 103
 ZN  A 300 (-2.3A)
ZN  A 300 (-3.1A)
ZN  A 300 (-3.3A)
None
 0.96A 1ekjA-2esfA:
21.3
1ekjB-2esfA:
20.7		 1ekjA-2esfA:
27.73
1ekjB-2esfA:
27.73
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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		4 CYH A  42
HIS A  98
CYH A 101
GLY A 103
 ZN  A 300 (-2.3A)
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
 0.99A 1ekjA-2esfA:
21.3
1ekjB-2esfA:
20.7		 1ekjA-2esfA:
27.73
1ekjB-2esfA:
27.73
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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
 ZN  A 300 (-2.3A)
None
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
 0.31A 1ekjA-2esfA:
21.3
1ekjB-2esfA:
20.7		 1ekjA-2esfA:
27.73
1ekjB-2esfA:
27.73
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.
2fgy CARBOXYSOME SHELL
POLYPEPTIDE

(Halothiobacillus
neapolitanus) 		PF08936
(CsoSCA) 		4 CYH A 173
ASP A 175
HIS A 242
CYH A 253
 ZN  A 620 (-2.2A)
ZN  A 620 ( 4.7A)
ZN  A 620 (-3.3A)
ZN  A 620 (-2.3A)
 0.24A 1ekjA-2fgyA:
9.2
1ekjB-2fgyA:
7.3		 1ekjA-2fgyA:
19.13
1ekjB-2fgyA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jw6 DEFORMED EPIDERMAL
AUTOREGULATORY
FACTOR 1 HOMOLOG

(Homo sapiens) 		PF01753
(zf-MYND) 		4 CYH A 515
HIS A 536
CYH A 540
GLY A 541
 ZN  A 602 (-2.3A)
ZN  A 602 (-3.1A)
ZN  A 602 (-2.3A)
None
 0.84A 1ekjA-2jw6A:
undetectable
1ekjB-2jw6A:
undetectable		 1ekjA-2jw6A:
12.67
1ekjB-2jw6A:
12.67
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.
2odd PROTEIN CBFA2T1

(Homo sapiens) 		PF01753
(zf-MYND) 		4 CYH A 674
HIS A 695
CYH A 699
GLY A 700
 ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-2.3A)
None
 0.87A 1ekjA-2oddA:
undetectable
1ekjB-2oddA:
undetectable		 1ekjA-2oddA:
13.81
1ekjB-2oddA:
13.81
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		4 ASP A 449
VAL A 447
CYH A 452
GLY A 413
 None
 0.99A 1ekjA-2oodA:
undetectable
1ekjB-2oodA:
undetectable		 1ekjA-2oodA:
20.04
1ekjB-2oodA:
20.04
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.
2pa4 UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00483
(NTP_transferase) 		4 ASP A 221
VAL A 165
HIS A 253
GLY A 162
 None
 0.68A 1ekjA-2pa4A:
undetectable
1ekjB-2pa4A:
undetectable		 1ekjA-2pa4A:
22.26
1ekjB-2pa4A:
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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		4 ASP A 213
VAL A 211
HIS A 116
GLY A 258
 ZN  A 277 (-2.0A)
None
ZN  A 277 ( 3.2A)
None
 0.98A 1ekjA-2r2dA:
undetectable
1ekjB-2r2dA:
undetectable		 1ekjA-2r2dA:
22.22
1ekjB-2r2dA:
22.22
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.
2rex RHO-RELATED
GTP-BINDING PROTEIN
RHO6

(Homo sapiens) 		PF00071
(Ras) 		4 CYH B  24
ASP B  93
CYH B 125
GLY B 124
 GNP  B 500 (-3.9A)
None
UNX  B 554 ( 4.2A)
None
 0.98A 1ekjA-2rexB:
undetectable
1ekjB-2rexB:
3.0		 1ekjA-2rexB:
19.74
1ekjB-2rexB:
19.74
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.
2v3b RUBREDOXIN 2

(Pseudomonas
aeruginosa) 		PF00301
(Rubredoxin) 		5 CYH B   9
ASP B  41
VAL B   8
CYH B  39
GLY B  43
 FE  B1054 (-2.3A)
None
FE  B1054 ( 4.9A)
FE  B1054 (-2.2A)
None
 1.49A 1ekjA-2v3bB:
undetectable
1ekjB-2v3bB:
undetectable		 1ekjA-2v3bB:
14.49
1ekjB-2v3bB:
14.49
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		4 GLN A  13
ASP A 252
VAL A 288
GLY A 255
 None
None
None
ANP  A1315 (-3.0A)
 0.94A 1ekjA-2varA:
undetectable
1ekjB-2varA:
undetectable		 1ekjA-2varA:
22.56
1ekjB-2varA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vea PHYTOCHROME-LIKE
PROTEIN CPH1

(Synechocystis
sp. PCC 6803) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 171
VAL A 173
HIS A 291
GLY A 169
 None
 1.00A 1ekjA-2veaA:
undetectable
1ekjB-2veaA:
undetectable		 1ekjA-2veaA:
19.11
1ekjB-2veaA:
19.11
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.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
ASP A  70
HIS A 124
CYH A 127
GLY A 129
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.9A)
 0.98A 1ekjA-2w3nA:
21.4
1ekjB-2w3nA:
21.1		 1ekjA-2w3nA:
27.91
1ekjB-2w3nA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		6 CYH A  68
ASP A  70
VAL A  92
HIS A 124
CYH A 127
GLY A 128
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ACT  A1233 ( 4.1A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.4A)
 0.28A 1ekjA-2w3nA:
21.4
1ekjB-2w3nA:
21.1		 1ekjA-2w3nA:
27.91
1ekjB-2w3nA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yho E3 UBIQUITIN-PROTEIN
LIGASE MYLIP

(Homo sapiens) 		PF13920
(zf-C3HC4_3) 		4 CYH A 421
VAL A 420
CYH A 402
GLY A 403
 ZN  A1002 (-2.3A)
ZN  A1002 ( 4.9A)
ZN  A1002 (-2.3A)
None
 0.99A 1ekjA-2yhoA:
undetectable
1ekjB-2yhoA:
undetectable		 1ekjA-2yhoA:
18.13
1ekjB-2yhoA:
18.13
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.
3bji PROTO-ONCOGENE VAV

(Homo sapiens) 		PF00130
(C1_1)
PF00169
(PH)
PF00621
(RhoGEF) 		4 CYH A 546
HIS A 516
CYH A 564
GLY A 565
 ZN  A   4 (-2.0A)
ZN  A   4 (-3.1A)
ZN  A   4 (-2.4A)
None
 0.97A 1ekjA-3bjiA:
undetectable
1ekjB-3bjiA:
undetectable		 1ekjA-3bjiA:
19.25
1ekjB-3bjiA:
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 263
ASP A 265
HIS A 315
CYH A 325
GLY A 326
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.7A)
 0.30A 1ekjA-3boeA:
undetectable
1ekjB-3boeA:
undetectable		 1ekjA-3boeA:
21.54
1ekjB-3boeA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 263
VAL A 264
HIS A 315
CYH A 325
GLY A 326
 CD  A1001 ( 2.4A)
None
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.7A)
 1.40A 1ekjA-3boeA:
undetectable
1ekjB-3boeA:
undetectable		 1ekjA-3boeA:
21.54
1ekjB-3boeA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A  53
ASP A  55
HIS A 105
CYH A 115
GLY A 116
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.8A)
 0.30A 1ekjA-3bohA:
undetectable
1ekjB-3bohA:
undetectable		 1ekjA-3bohA:
24.42
1ekjB-3bohA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A  53
VAL A  54
HIS A 105
CYH A 115
GLY A 116
 CD  A1001 ( 2.4A)
None
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.8A)
 1.40A 1ekjA-3bohA:
undetectable
1ekjB-3bohA:
undetectable		 1ekjA-3bohA:
24.42
1ekjB-3bohA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		6 CYH A  57
ASP A  59
VAL A  80
HIS A 112
CYH A 115
GLY A 116
 ZN  A   1 ( 2.3A)
ZN  A   1 ( 4.8A)
ACT  A 222 (-4.2A)
ZN  A   1 (-3.2A)
ZN  A   1 ( 2.2A)
ACT  A 222 (-3.2A)
 0.30A 1ekjA-3eyxA:
21.3
1ekjB-3eyxA:
21.2		 1ekjA-3eyxA:
29.36
1ekjB-3eyxA:
29.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		5 CYH A  57
VAL A  80
HIS A 112
CYH A 115
GLY A 117
 ZN  A   1 ( 2.3A)
ACT  A 222 (-4.2A)
ZN  A   1 (-3.2A)
ZN  A   1 ( 2.2A)
ACT  A 222 (-3.6A)
 1.04A 1ekjA-3eyxA:
21.3
1ekjB-3eyxA:
21.2		 1ekjA-3eyxA:
29.36
1ekjB-3eyxA:
29.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3feh CENTAURIN-ALPHA-1

(Homo sapiens) 		PF00169
(PH)
PF01412
(ArfGap) 		4 CYH A  44
ASP A  23
CYH A  21
GLY A  25
 ZN  A 375 (-2.3A)
None
ZN  A 375 (-2.3A)
None
 0.99A 1ekjA-3fehA:
undetectable
1ekjB-3fehA:
undetectable		 1ekjA-3fehA:
22.43
1ekjB-3fehA:
22.43
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.
3h0r ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Aquifex
aeolicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 CYH B  43
VAL B  42
CYH B  27
GLY B  26
 ZN  B 901 (-2.3A)
None
ZN  B 901 (-2.5A)
None
 0.93A 1ekjA-3h0rB:
undetectable
1ekjB-3h0rB:
undetectable		 1ekjA-3h0rB:
18.76
1ekjB-3h0rB:
18.76
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.
3i2n WD REPEAT-CONTAINING
PROTEIN 92

(Homo sapiens) 		PF00400
(WD40) 		4 TYR A 289
ASP A 240
VAL A 238
GLY A 309
 None
 0.97A 1ekjA-3i2nA:
undetectable
1ekjB-3i2nA:
undetectable		 1ekjA-3i2nA:
19.89
1ekjB-3i2nA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus) 		PF01257
(2Fe-2S_thioredx) 		4 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
 None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
 0.80A 1ekjA-3i9v2:
undetectable
1ekjB-3i9v2:
undetectable		 1ekjA-3i9v2:
21.59
1ekjB-3i9v2:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 158
VAL A 160
HIS A 278
GLY A 156
 None
 0.87A 1ekjA-3ibrA:
undetectable
1ekjB-3ibrA:
undetectable		 1ekjA-3ibrA:
17.32
1ekjB-3ibrA:
17.32
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		4 CYH A 162
ASP A 157
CYH A 851
GLY A 852
 ZN  A1001 (-2.3A)
None
ZN  A1001 (-2.7A)
None
 0.81A 1ekjA-3j9dA:
undetectable
1ekjB-3j9dA:
undetectable		 1ekjA-3j9dA:
14.12
1ekjB-3j9dA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 CYH F  41
VAL F  40
CYH F  24
GLY F  23
 ZN  F 673 (-2.0A)
None
ZN  F 673 (-2.1A)
None
 0.80A 1ekjA-3kfuF:
undetectable
1ekjB-3kfuF:
undetectable		 1ekjA-3kfuF:
20.81
1ekjB-3kfuF:
20.81
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.
3las PUTATIVE CARBONIC
ANHYDRASE

(Streptococcus
mutans) 		PF00484
(Pro_CA) 		5 CYH A  38
ASP A  40
HIS A  91
CYH A  94
GLY A  95
 ZN  A 167 (-2.2A)
None
ZN  A 167 (-3.2A)
ZN  A 167 (-2.3A)
ZN  A 167 ( 4.8A)
 0.39A 1ekjA-3lasA:
14.0
1ekjB-3lasA:
14.2		 1ekjA-3lasA:
24.32
1ekjB-3lasA:
24.32
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.
3lvr ARF-GAP WITH SH3
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3,
ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens;
synthetic
construct) 		PF00025
(Arf)
PF01412
(ArfGap)
PF12796
(Ank_2) 		4 CYH E 464
ASP E 443
CYH E 441
GLY E 445
 ZN  E 735 (-2.2A)
None
ZN  E 735 (-2.4A)
None
 0.99A 1ekjA-3lvrE:
undetectable
1ekjB-3lvrE:
2.6		 1ekjA-3lvrE:
17.14
1ekjB-3lvrE:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		4 CYH A  42
HIS A  98
CYH A 101
GLY A 103
 CO  A 230 (-2.2A)
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
 0.94A 1ekjA-3mf3A:
19.5
1ekjB-3mf3A:
18.9		 1ekjA-3mf3A:
27.87
1ekjB-3mf3A:
27.87
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.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
 CO  A 230 (-2.2A)
None
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
 0.30A 1ekjA-3mf3A:
19.5
1ekjB-3mf3A:
18.9		 1ekjA-3mf3A:
27.87
1ekjB-3mf3A:
27.87
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.
3ppl ASPARTATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF12897
(Aminotran_MocR) 		4 GLN A  96
ASP A 237
VAL A 235
GLY A  91
 None
 0.85A 1ekjA-3pplA:
undetectable
1ekjB-3pplA:
undetectable		 1ekjA-3pplA:
20.79
1ekjB-3pplA:
20.79
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.
3sub ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN

(Plasmodium
falciparum) 		PF01412
(ArfGap) 		4 CYH A  45
ASP A  24
CYH A  22
GLY A  26
 ZN  A 161 (-2.2A)
None
ZN  A 161 (-2.3A)
None
 0.96A 1ekjA-3subA:
undetectable
1ekjB-3subA:
undetectable		 1ekjA-3subA:
22.87
1ekjB-3subA:
22.87
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.
3teo CARBON DISULFIDE
HYDROLASE

(Acidianus sp.
A1-3) 		PF00484
(Pro_CA) 		5 CYH A  35
ASP A  37
HIS A  88
CYH A  91
GLY A  92
 CL  A 205 (-4.3A)
None
CL  A 205 (-4.6A)
CL  A 205 ( 4.7A)
None
 0.92A 1ekjA-3teoA:
12.4
1ekjB-3teoA:
8.4		 1ekjA-3teoA:
24.07
1ekjB-3teoA:
24.07
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.
3ucn CARBONIC ANHYDRASE

(Coccomyxa sp.
PA) 		PF00484
(Pro_CA) 		6 CYH A  47
ASP A  49
VAL A  71
HIS A 103
CYH A 106
GLY A 107
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
None
ZN  A 228 ( 3.3A)
ZN  A 228 ( 2.3A)
AZI  A 229 (-4.1A)
 0.33A 1ekjA-3ucnA:
21.8
1ekjB-3ucnA:
21.4		 1ekjA-3ucnA:
28.69
1ekjB-3ucnA:
28.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 473
ASP A 475
HIS A 525
CYH A 535
GLY A 536
 CD  A 700 ( 2.4A)
ACT  A 800 ( 4.1A)
CD  A 700 (-3.5A)
CD  A 700 (-2.4A)
ACT  A 800 (-3.7A)
 0.30A 1ekjA-3uk8A:
undetectable
1ekjB-3uk8A:
undetectable		 1ekjA-3uk8A:
24.40
1ekjB-3uk8A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 473
VAL A 474
HIS A 525
CYH A 535
GLY A 536
 CD  A 700 ( 2.4A)
None
CD  A 700 (-3.5A)
CD  A 700 (-2.4A)
ACT  A 800 (-3.7A)
 1.40A 1ekjA-3uk8A:
undetectable
1ekjB-3uk8A:
undetectable		 1ekjA-3uk8A:
24.40
1ekjB-3uk8A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		5 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
 0.27A 1ekjA-3vrkA:
13.5
1ekjB-3vrkA:
13.7		 1ekjA-3vrkA:
24.69
1ekjB-3vrkA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		4 TYR A  66
VAL A  63
HIS A 372
GLY A  17
 None
 0.91A 1ekjA-3vseA:
3.0
1ekjB-3vseA:
3.0		 1ekjA-3vseA:
21.16
1ekjB-3vseA:
21.16
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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		4 TYR A 112
ASP A  88
VAL A  90
GLY A  86
 None
 0.98A 1ekjA-3wcxA:
undetectable
1ekjB-3wcxA:
undetectable		 1ekjA-3wcxA:
21.50
1ekjB-3wcxA:
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.
4a0k DNA DAMAGE-BINDING
PROTEIN 2

(Danio rerio) 		PF00400
(WD40) 		4 ASP D 407
VAL D 389
HIS D 366
GLY D 391
 None
 0.91A 1ekjA-4a0kD:
undetectable
1ekjB-4a0kD:
undetectable		 1ekjA-4a0kD:
20.45
1ekjB-4a0kD:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a24 DEFORMED EPIDERMAL
AUTOREGULATORY
FACTOR 1 HOMOLOG

(Homo sapiens) 		PF01753
(zf-MYND) 		4 CYH A 515
HIS A 536
CYH A 540
GLY A 541
 ZN  A 602 (-2.3A)
ZN  A 602 (-3.1A)
ZN  A 602 (-2.3A)
None
 0.94A 1ekjA-4a24A:
undetectable
1ekjB-4a24A:
undetectable		 1ekjA-4a24A:
11.63
1ekjB-4a24A:
11.63
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.
4dez DNA POLYMERASE IV 1

(Mycolicibacterium
smegmatis) 		PF00817
(IMS) 		4 GLN A 149
TYR A 110
ASP A 234
VAL A 237
 None
 0.91A 1ekjA-4dezA:
undetectable
1ekjB-4dezA:
undetectable		 1ekjA-4dezA:
19.89
1ekjB-4dezA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e04 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 167
VAL A 169
HIS A 287
GLY A 165
 None
 0.99A 1ekjA-4e04A:
undetectable
1ekjB-4e04A:
undetectable		 1ekjA-4e04A:
21.43
1ekjB-4e04A:
21.43
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.
4k1c VACUOLAR CALCIUM ION
TRANSPORTER

(Saccharomyces
cerevisiae) 		PF01699
(Na_Ca_ex) 		4 GLN A 118
ASP A 276
VAL A 278
GLY A 273
 None
 0.91A 1ekjA-4k1cA:
undetectable
1ekjB-4k1cA:
undetectable		 1ekjA-4k1cA:
20.28
1ekjB-4k1cA:
20.28
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.
4krc PHO85 CYCLIN-10

(Saccharomyces
cerevisiae) 		PF08613
(Cyclin) 		4 TYR B 328
VAL B 367
HIS B 379
CYH B 321
 None
 0.88A 1ekjA-4krcB:
undetectable
1ekjB-4krcB:
undetectable		 1ekjA-4krcB:
21.03
1ekjB-4krcB:
21.03
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.
4o01 BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 171
VAL A 173
HIS A 291
GLY A 169
 None
 0.94A 1ekjA-4o01A:
undetectable
1ekjB-4o01A:
undetectable		 1ekjA-4o01A:
19.35
1ekjB-4o01A:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  45
ASP A  47
HIS A 101
CYH A 104
GLY A 105
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
ZN  A 301 (-2.3A)
None
 0.24A 1ekjA-4o1jA:
23.3
1ekjB-4o1jA:
23.5		 1ekjA-4o1jA:
35.71
1ekjB-4o1jA:
35.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  45
ASP A  47
HIS A 101
CYH A 104
GLY A 106
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
ZN  A 301 (-2.3A)
None
 1.03A 1ekjA-4o1jA:
23.3
1ekjB-4o1jA:
23.5		 1ekjA-4o1jA:
35.71
1ekjB-4o1jA:
35.71
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.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		4 CYH A  56
HIS A 112
CYH A 115
GLY A 116
 ZN  A 301 (-2.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.2A)
None
 0.27A 1ekjA-4o1kA:
21.8
1ekjB-4o1kA:
21.4		 1ekjA-4o1kA:
28.57
1ekjB-4o1kA:
28.57
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.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		4 CYH A  56
HIS A 112
CYH A 115
GLY A 117
 ZN  A 301 (-2.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.2A)
None
 0.93A 1ekjA-4o1kA:
21.8
1ekjB-4o1kA:
21.4		 1ekjA-4o1kA:
28.57
1ekjB-4o1kA:
28.57
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.
4our PHYTOCHROME B

(Arabidopsis
thaliana) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP B 271
VAL B 273
HIS B 404
GLY B 269
 None
 0.92A 1ekjA-4ourB:
undetectable
1ekjB-4ourB:
undetectable		 1ekjA-4ourB:
16.15
1ekjB-4ourB:
16.15
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.
4r6l BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 166
VAL A 168
HIS A 286
GLY A 164
 None
 0.85A 1ekjA-4r6lA:
undetectable
1ekjB-4r6lA:
undetectable		 1ekjA-4r6lA:
19.26
1ekjB-4r6lA:
19.26
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.
4tkp TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Macaca mulatta) 		PF13445
(zf-RING_UBOX) 		4 CYH B  59
VAL B  58
CYH B  30
GLY B  31
 ZN  B 101 (-2.3A)
ZN  B 101 ( 4.8A)
ZN  B 101 (-2.3A)
None
 0.99A 1ekjA-4tkpB:
undetectable
1ekjB-4tkpB:
undetectable		 1ekjA-4tkpB:
17.67
1ekjB-4tkpB:
17.67
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.
4umm ECDYSONE RECEPTOR

(Heliothis
virescens) 		PF00105
(zf-C4) 		4 CYH E 147
ASP E 152
VAL E 149
GLY E 166
 None
 0.99A 1ekjA-4ummE:
undetectable
1ekjB-4ummE:
undetectable		 1ekjA-4ummE:
18.78
1ekjB-4ummE:
18.78
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.
4y5f BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 171
VAL A 173
HIS A 291
GLY A 169
 None
 0.93A 1ekjA-4y5fA:
undetectable
1ekjB-4y5fA:
undetectable		 1ekjA-4y5fA:
22.22
1ekjB-4y5fA:
22.22
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.
4yf6 BETA-CARBONIC
ANHYDRASE 1

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		4 ASP A  37
HIS A  88
CYH A  91
GLY A  92
 ZN  A 200 ( 4.4A)
ZN  A 200 (-3.4A)
ZN  A 200 (-2.3A)
ZN  A 200 ( 4.7A)
 0.34A 1ekjA-4yf6A:
13.2
1ekjB-4yf6A:
13.4		 1ekjA-4yf6A:
23.29
1ekjB-4yf6A:
23.29
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.
5b5x LIMITING
CO2-INDUCIBLE
PROTEIN LCIC

(Chlamydomonas
reinhardtii) 		no annotation 5 CYH A 119
ASP A 121
HIS A 179
CYH A 203
GLY A 204
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.2A)
ZN  A 500 (-2.5A)
None
 0.40A 1ekjA-5b5xA:
10.0
1ekjB-5b5xA:
10.3		 1ekjA-5b5xA:
21.59
1ekjB-5b5xA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 5 CYH A  46
ASP A  48
HIS A 102
CYH A 126
GLY A 127
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
 0.36A 1ekjA-5b5zA:
10.4
1ekjB-5b5zA:
10.8		 1ekjA-5b5zA:
21.28
1ekjB-5b5zA:
21.28
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		5 CYH A  42
ASP A  44
HIS A  98
CYH A 101
GLY A 103
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 (-3.7A)
 0.96A 1ekjA-5bq1A:
22.1
1ekjB-5bq1A:
21.8		 1ekjA-5bq1A:
28.63
1ekjB-5bq1A:
28.63
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		6 CYH A  42
ASP A  44
VAL A  66
HIS A  98
CYH A 101
GLY A 102
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
CO2  A 302 (-4.0A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 ( 4.5A)
 0.26A 1ekjA-5bq1A:
22.1
1ekjB-5bq1A:
21.8		 1ekjA-5bq1A:
28.63
1ekjB-5bq1A:
28.63
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.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		4 CYH A  42
ASP A  44
HIS A  98
GLY A 103
 ZN  A 301 (-2.1A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
 0.94A 1ekjA-5cxkA:
20.2
1ekjB-5cxkA:
20.0		 1ekjA-5cxkA:
25.83
1ekjB-5cxkA:
25.83
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.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
 ZN  A 301 (-2.1A)
None
ZN  A 301 (-3.2A)
ZN  A 301 (-2.0A)
None
 0.27A 1ekjA-5cxkA:
20.2
1ekjB-5cxkA:
20.0		 1ekjA-5cxkA:
25.83
1ekjB-5cxkA:
25.83
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.
5din LIGAND OF NUMB
PROTEIN X 2

(Homo sapiens) 		PF13923
(zf-C3HC4_2) 		4 CYH A  95
ASP A 103
HIS A 113
CYH A 118
 ZN  A 204 (-2.3A)
None
ZN  A 204 (-3.3A)
ZN  A 204 (-2.2A)
 0.69A 1ekjA-5dinA:
undetectable
1ekjB-5dinA:
undetectable		 1ekjA-5dinA:
20.62
1ekjB-5dinA:
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		4 GLN A 169
ASP A 216
HIS A 241
GLY A  79
 None
None
None
IF6  A1476 (-3.1A)
 0.96A 1ekjA-5g0qA:
undetectable
1ekjB-5g0qA:
undetectable		 1ekjA-5g0qA:
18.95
1ekjB-5g0qA:
18.95
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.
5iq6 RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		4 VAL A 450
HIS A 441
CYH A 446
GLY A 447
 None
ZN  A1002 (-3.3A)
ZN  A1002 (-2.2A)
None
 1.01A 1ekjA-5iq6A:
undetectable
1ekjB-5iq6A:
undetectable		 1ekjA-5iq6A:
15.61
1ekjB-5iq6A:
15.61
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 VAL A 450
HIS A 441
CYH A 446
GLY A 447
 None
ZN  A1001 (-3.3A)
ZN  A1001 (-2.2A)
None
 0.94A 1ekjA-5jjrA:
undetectable
1ekjB-5jjrA:
undetectable		 1ekjA-5jjrA:
12.34
1ekjB-5jjrA:
12.34
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.
5k5w LIMITING
CO2-INDUCIBLE
PROTEIN LCIB

(Chlamydomonas
reinhardtii) 		no annotation 5 CYH A 120
ASP A 122
HIS A 180
CYH A 204
GLY A 205
 ZN  A 500 (-2.3A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
 0.51A 1ekjA-5k5wA:
10.1
1ekjB-5k5wA:
11.4		 1ekjA-5k5wA:
22.74
1ekjB-5k5wA:
22.74
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.
5krb NUCLEAR RECEPTOR
SUBFAMILY 6 GROUP A
MEMBER 1

(Mus musculus) 		PF00105
(zf-C4) 		4 CYH B  78
ASP B  80
CYH B  92
GLY B  94
 ZN  B 201 (-2.2A)
None
ZN  B 201 (-2.2A)
None
 1.00A 1ekjA-5krbB:
undetectable
1ekjB-5krbB:
undetectable		 1ekjA-5krbB:
15.00
1ekjB-5krbB:
15.00
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 4 ASP D 163
VAL D 165
HIS D 283
GLY D 161
 None
 0.89A 1ekjA-5llyD:
undetectable
1ekjB-5llyD:
undetectable		 1ekjA-5llyD:
18.11
1ekjB-5llyD:
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.
5swc CARBONIC ANHYDRASE

(Synechocystis
sp. PCC 6803) 		PF00484
(Pro_CA) 		5 CYH A  39
ASP A  41
HIS A  98
CYH A 101
GLY A 102
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.3A)
None
 0.26A 1ekjA-5swcA:
24.6
1ekjB-5swcA:
24.2		 1ekjA-5swcA:
29.51
1ekjB-5swcA:
29.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uan RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		no annotation 4 CYH B  81
ASP B  86
VAL B  83
GLY B 100
 ZN  B 501 (-2.3A)
None
ZN  B 501 ( 4.7A)
None
 0.95A 1ekjA-5uanB:
undetectable
1ekjB-5uanB:
undetectable		 1ekjA-5uanB:
18.18
1ekjB-5uanB:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uyr BACTERIOPHYTOCHROME

(Xanthomonas
campestris) 		no annotation 4 ASP A 163
VAL A 165
HIS A 283
GLY A 161
 None
 0.90A 1ekjA-5uyrA:
undetectable
1ekjB-5uyrA:
undetectable		 1ekjA-5uyrA:
undetectable
1ekjB-5uyrA:
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.
5viq MONOMERIC
NEAR-INFRARED
FLUORESCENT PROTEIN
MIRFP709

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 165
VAL A 167
HIS A 285
GLY A 163
 None
 0.93A 1ekjA-5viqA:
undetectable
1ekjB-5viqA:
undetectable		 1ekjA-5viqA:
20.89
1ekjB-5viqA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ztp CARBONIC ANHYDRASE

(Glaciozyma
antarctica) 		no annotation 5 CYH A  38
ASP A  40
HIS A  90
CYH A  93
GLY A  94
 SO4  A 201 (-1.3A)
SO4  A 201 (-3.5A)
SO4  A 201 (-3.0A)
SO4  A 201 (-1.2A)
SO4  A 201 (-3.7A)
 0.46A 1ekjA-5ztpA:
13.9
1ekjB-5ztpA:
13.9		 1ekjA-5ztpA:
undetectable
1ekjB-5ztpA:
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.
5ztp CARBONIC ANHYDRASE

(Glaciozyma
antarctica) 		no annotation 4 CYH A  93
HIS A  90
CYH A  38
GLY A  64
 SO4  A 201 (-1.2A)
SO4  A 201 (-3.0A)
SO4  A 201 (-1.3A)
None
 0.99A 1ekjA-5ztpA:
13.9
1ekjB-5ztpA:
13.9		 1ekjA-5ztpA:
undetectable
1ekjB-5ztpA:
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.
6et7 DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 4 ASP A 163
VAL A 165
HIS A 283
GLY A 161
 None
 0.95A 1ekjA-6et7A:
undetectable
1ekjB-6et7A:
undetectable		 1ekjA-6et7A:
undetectable
1ekjB-6et7A:
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803;
Deinococcus
radiodurans) 		no annotation 4 ASP A 171
VAL A 173
HIS A 291
GLY A 169
 None
None
12P  A 808 (-4.6A)
12P  A 808 (-3.6A)
 0.92A 1ekjA-6fhtA:
undetectable
1ekjB-6fhtA:
undetectable		 1ekjA-6fhtA:
undetectable
1ekjB-6fhtA:
undetectable