SIMILAR PATTERNS OF AMINO ACIDS FOR 1EKJ_H_ACTH3006_0

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.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		4 CYH L  73
VAL L  72
HIS L  77
CYH L 495
 FCO  L 499 ( 2.2A)
NI  L 500 ( 4.9A)
FCO  L 499 (-3.9A)
FCO  L 499 (-2.3A)
 1.29A 1ekjG-1cc1L:
undetectable
1ekjH-1cc1L:
undetectable		 1ekjG-1cc1L:
17.33
1ekjH-1cc1L:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		4 CYH B  74
VAL B  73
HIS B  78
CYH B 539
 FNE  B 543 (-2.2A)
None
FNE  B 543 (-3.9A)
FNE  B 543 (-2.2A)
 1.42A 1ekjG-1e3dB:
undetectable
1ekjH-1e3dB:
undetectable		 1ekjG-1e3dB:
18.33
1ekjH-1e3dB:
18.33
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
VAL A 184
HIS A 220
CYH A 223
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ACT  A3001 ( 4.9A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
 0.12A 1ekjG-1ekjA:
31.6
1ekjH-1ekjA:
32.7		 1ekjG-1ekjA:
100.00
1ekjH-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) 		4 CYH A  32
ASP A  34
HIS A  87
CYH A  90
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
 0.21A 1ekjG-1g5cA:
13.2
1ekjH-1g5cA:
13.3		 1ekjG-1g5cA:
24.07
1ekjH-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.
1jl2 CHIMERA OF
RIBONUCLEASE HI,
RIBONUCLEASE H

(Thermus
thermophilus;
Escherichia
coli) 		PF00075
(RNase_H) 		4 GLN A   4
ASP A  66
VAL A 117
HIS A 120
 None
 1.45A 1ekjG-1jl2A:
undetectable
1ekjH-1jl2A:
undetectable		 1ekjG-1jl2A:
21.37
1ekjH-1jl2A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odg DNA MISMATCH
ENDONUCLEASE

(Escherichia
coli) 		PF03852
(Vsr) 		4 CYH A 117
ASP A 148
HIS A  71
CYH A  73
 ZN  A 200 (-2.5A)
None
ZN  A 200 (-2.9A)
ZN  A 200 (-1.9A)
 1.31A 1ekjG-1odgA:
undetectable
1ekjH-1odgA:
undetectable		 1ekjG-1odgA:
20.09
1ekjH-1odgA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ul5 SQUAMOSA PROMOTER
BINDING PROTEIN-LIKE
7

(Arabidopsis
thaliana) 		PF03110
(SBP) 		4 GLN A 139
CYH A 163
VAL A 169
CYH A 143
 None
ZN  A 221 (-2.4A)
None
ZN  A 221 (-2.4A)
 1.28A 1ekjG-1ul5A:
undetectable
1ekjH-1ul5A:
undetectable		 1ekjG-1ul5A:
18.23
1ekjH-1ul5A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yac YCAC GENE PRODUCT

(Escherichia
coli) 		PF00857
(Isochorismatase) 		4 GLN A  21
CYH A 118
ASP A  19
VAL A 114
 None
 1.50A 1ekjG-1yacA:
2.1
1ekjH-1yacA:
2.9		 1ekjG-1yacA:
19.75
1ekjH-1yacA:
19.75
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.
1yac YCAC GENE PRODUCT

(Escherichia
coli) 		PF00857
(Isochorismatase) 		4 GLN A  75
ASP A  45
VAL A  40
HIS A 190
 None
 1.11A 1ekjG-1yacA:
2.1
1ekjH-1yacA:
2.9		 1ekjG-1yacA:
19.75
1ekjH-1yacA:
19.75
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		4 CYH A  51
ASP A  53
HIS A 104
CYH A 107
 ZN  A 401 ( 2.3A)
SCN  A 501 (-4.0A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 2.3A)
 0.16A 1ekjG-2a5vA:
19.3
1ekjH-2a5vA:
19.3		 1ekjG-2a5vA:
29.49
1ekjH-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.
2au3 DNA PRIMASE

(Aquifex
aeolicus) 		PF01807
(zf-CHC2)
PF08275
(Toprim_N)
PF13155
(Toprim_2) 		4 CYH A  59
VAL A  61
HIS A  38
CYH A  35
 ZN  A 501 (-2.3A)
None
ZN  A 501 (-3.0A)
ZN  A 501 (-2.2A)
 1.33A 1ekjG-2au3A:
3.8
1ekjH-2au3A:
3.7		 1ekjG-2au3A:
22.50
1ekjH-2au3A:
22.50
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.
2dja MIDLINE-2

(Homo sapiens) 		PF00643
(zf-B_box) 		4 CYH A  33
ASP A  36
VAL A  34
HIS A  50
 ZN  A 401 (-2.2A)
ZN  A 401 (-3.0A)
None
ZN  A 401 (-3.1A)
 1.46A 1ekjG-2djaA:
undetectable
1ekjH-2djaA:
undetectable		 1ekjG-2djaA:
16.51
1ekjH-2djaA:
16.51
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.
2dja MIDLINE-2

(Homo sapiens) 		PF00643
(zf-B_box) 		4 CYH A  33
ASP A  36
VAL A  34
HIS A  53
 ZN  A 401 (-2.2A)
ZN  A 401 (-3.0A)
None
ZN  A 401 (-2.9A)
 1.37A 1ekjG-2djaA:
undetectable
1ekjH-2djaA:
undetectable		 1ekjG-2djaA:
16.51
1ekjH-2djaA:
16.51
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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		4 CYH A  42
VAL A  66
HIS A  98
CYH A 101
 ZN  A 300 (-2.3A)
None
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
 0.20A 1ekjG-2esfA:
20.9
1ekjH-2esfA:
21.1		 1ekjG-2esfA:
27.73
1ekjH-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)
 0.18A 1ekjG-2fgyA:
7.3
1ekjH-2fgyA:
9.1		 1ekjG-2fgyA:
19.13
1ekjH-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.
2hrv 2A CYSTEINE
PROTEINASE

(Rhinovirus A) 		PF00947
(Pico_P2A) 		4 GLN A  91
ASP A  35
VAL A 120
HIS A  18
 None
 1.35A 1ekjG-2hrvA:
undetectable
1ekjH-2hrvA:
undetectable		 1ekjG-2hrvA:
19.18
1ekjH-2hrvA:
19.18
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.
2ija ARYLAMINE
N-ACETYLTRANSFERASE
1

(Homo sapiens) 		PF00797
(Acetyltransf_2) 		4 GLN A 130
ASP A 122
HIS A 107
CYH A  68
 None
None
ACM  A 301 (-4.0A)
ACM  A 301 (-1.7A)
 1.47A 1ekjG-2ijaA:
undetectable
1ekjH-2ijaA:
undetectable		 1ekjG-2ijaA:
20.13
1ekjH-2ijaA:
20.13
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.
2ija ARYLAMINE
N-ACETYLTRANSFERASE
1

(Homo sapiens) 		PF00797
(Acetyltransf_2) 		4 GLN A 130
ASP A 122
VAL A  71
HIS A 107
 None
None
None
ACM  A 301 (-4.0A)
 1.23A 1ekjG-2ijaA:
undetectable
1ekjH-2ijaA:
undetectable		 1ekjG-2ijaA:
20.13
1ekjH-2ijaA:
20.13
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.
2jun MIDLINE-1

(Homo sapiens) 		PF00643
(zf-B_box) 		4 CYH A 187
ASP A 190
VAL A 188
HIS A 204
 ZN  A 223 (-2.3A)
ZN  A 223 ( 2.9A)
None
ZN  A 223 ( 3.0A)
 1.45A 1ekjG-2junA:
undetectable
1ekjH-2junA:
undetectable		 1ekjG-2junA:
15.96
1ekjH-2junA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m1s RING FINGER PROTEIN
Z

(Lassa
mammarenavirus) 		PF03854
(zf-P11) 		4 CYH A  64
VAL A  60
HIS A  47
CYH A  44
 ZN  A 101 (-2.3A)
None
ZN  A 101 (-3.1A)
ZN  A 101 (-2.3A)
 1.25A 1ekjG-2m1sA:
undetectable
1ekjH-2m1sA:
undetectable		 1ekjG-2m1sA:
16.29
1ekjH-2m1sA:
16.29
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.
2miu FOUR AND A HALF LIM
DOMAINS PROTEIN 2

(Homo sapiens) 		PF00412
(LIM) 		4 CYH A  31
VAL A  30
HIS A   9
CYH A  10
 ZN  A 301 (-2.3A)
None
ZN  A 301 ( 4.7A)
ZN  A 301 (-2.3A)
 1.26A 1ekjG-2miuA:
undetectable
1ekjH-2miuA:
undetectable		 1ekjG-2miuA:
19.37
1ekjH-2miuA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2

(Homo sapiens) 		PF00797
(Acetyltransf_2) 		4 GLN A 130
ASP A 122
VAL A  71
HIS A 107
 None
None
None
COA  A 401 (-4.5A)
 1.35A 1ekjG-2pfrA:
undetectable
1ekjH-2pfrA:
undetectable		 1ekjG-2pfrA:
23.63
1ekjH-2pfrA:
23.63
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.
2pg0 ACYL-COA
DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 CYH A  57
VAL A  60
HIS A  94
CYH A 118
 None
 1.43A 1ekjG-2pg0A:
undetectable
1ekjH-2pg0A:
undetectable		 1ekjG-2pg0A:
20.31
1ekjH-2pg0A:
20.31
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.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
ASP A  70
VAL A  92
HIS A 124
CYH A 127
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ACT  A1233 ( 4.1A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
 0.24A 1ekjG-2w3nA:
21.3
1ekjH-2w3nA:
21.4		 1ekjG-2w3nA:
27.91
1ekjH-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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 GLN A1061
ASP A1004
VAL A 971
HIS A1055
 None
CA  A2003 (-2.5A)
None
CA  A2003 (-3.8A)
 1.31A 1ekjG-2xt6A:
undetectable
1ekjH-2xt6A:
undetectable		 1ekjG-2xt6A:
12.84
1ekjH-2xt6A:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		4 CYH A  79
VAL A  78
HIS A  83
CYH A 593
 O  A 609 (-1.8A)
O  A 609 ( 4.7A)
CMO  A 603 (-4.0A)
FE2  A 601 (-2.2A)
 1.38A 1ekjG-3ayxA:
undetectable
1ekjH-3ayxA:
undetectable		 1ekjG-3ayxA:
16.69
1ekjH-3ayxA:
16.69
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 CYH A 263
ASP A 265
HIS A 315
CYH A 325
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
 0.28A 1ekjG-3boeA:
undetectable
1ekjH-3boeA:
undetectable		 1ekjG-3boeA:
21.54
1ekjH-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 4 CYH A 263
VAL A 264
HIS A 315
CYH A 325
 CD  A1001 ( 2.4A)
None
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
 1.40A 1ekjG-3boeA:
undetectable
1ekjH-3boeA:
undetectable		 1ekjG-3boeA:
21.54
1ekjH-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 4 CYH A  53
ASP A  55
HIS A 105
CYH A 115
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
 0.28A 1ekjG-3bohA:
undetectable
1ekjH-3bohA:
undetectable		 1ekjG-3bohA:
24.42
1ekjH-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 4 CYH A  53
VAL A  54
HIS A 105
CYH A 115
 CD  A1001 ( 2.4A)
None
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
 1.40A 1ekjG-3bohA:
undetectable
1ekjH-3bohA:
undetectable		 1ekjG-3bohA:
24.42
1ekjH-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.
3dyt SORTING NEXIN-9

(Homo sapiens) 		PF00787
(PX)
PF10456
(BAR_3_WASP_bdg) 		4 GLN A 574
CYH A 427
VAL A 478
HIS A 423
 None
 1.33A 1ekjG-3dytA:
undetectable
1ekjH-3dytA:
undetectable		 1ekjG-3dytA:
19.79
1ekjH-3dytA:
19.79
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.
3edn PHENAZINE
BIOSYNTHESIS
PROTEIN, PHZF FAMILY

(Bacillus
anthracis) 		PF02567
(PhzC-PhzF) 		4 CYH A 175
VAL A 174
HIS A 212
CYH A 201
 None
 1.46A 1ekjG-3ednA:
undetectable
1ekjH-3ednA:
undetectable		 1ekjG-3ednA:
20.94
1ekjH-3ednA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		5 CYH A  57
ASP A  59
VAL A  80
HIS A 112
CYH A 115
 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)
 0.26A 1ekjG-3eyxA:
21.4
1ekjH-3eyxA:
18.7		 1ekjG-3eyxA:
29.36
1ekjH-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.
3fcx S-FORMYLGLUTATHIONE
HYDROLASE

(Homo sapiens) 		PF00756
(Esterase) 		4 GLN A 255
ASP A 221
VAL A 251
HIS A 272
 None
 1.36A 1ekjG-3fcxA:
undetectable
1ekjH-3fcxA:
undetectable		 1ekjG-3fcxA:
23.34
1ekjH-3fcxA:
23.34
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.
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae) 		PF00563
(EAL)
PF04940
(BLUF) 		4 GLN A 146
ASP A  73
VAL A  11
CYH A 140
 None
 1.49A 1ekjG-3gg0A:
undetectable
1ekjH-3gg0A:
undetectable		 1ekjG-3gg0A:
19.46
1ekjH-3gg0A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hsk ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Candida
albicans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLN A  67
CYH A  78
VAL A  81
HIS A  32
 None
 1.44A 1ekjG-3hskA:
undetectable
1ekjH-3hskA:
undetectable		 1ekjG-3hskA:
20.26
1ekjH-3hskA:
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.
3jca INTEGRASE

(Mouse mammary
tumor virus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		4 GLN A 154
ASP A  65
VAL A  82
HIS A 161
 None
 1.39A 1ekjG-3jcaA:
undetectable
1ekjH-3jcaA:
undetectable		 1ekjG-3jcaA:
20.30
1ekjH-3jcaA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		4 CYH A  36
ASP A  92
VAL A  96
HIS A  54
 ACT  A 396 ( 4.6A)
ACT  A 396 (-3.8A)
None
ACT  A 396 (-4.4A)
 1.44A 1ekjG-3kizA:
undetectable
1ekjH-3kizA:
undetectable		 1ekjG-3kizA:
20.00
1ekjH-3kizA:
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.
3krt CROTONYL COA
REDUCTASE

(Streptomyces
coelicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLN A 403
ASP A 407
VAL A  82
HIS A 413
 None
 1.30A 1ekjG-3krtA:
undetectable
1ekjH-3krtA:
undetectable		 1ekjG-3krtA:
20.44
1ekjH-3krtA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l3b ES1 FAMILY PROTEIN

(Ehrlichia
chaffeensis) 		PF01965
(DJ-1_PfpI) 		4 GLN A  46
ASP A  16
VAL A  58
HIS A  52
 None
 1.38A 1ekjG-3l3bA:
undetectable
1ekjH-3l3bA:
undetectable		 1ekjG-3l3bA:
22.22
1ekjH-3l3bA:
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.
3las PUTATIVE CARBONIC
ANHYDRASE

(Streptococcus
mutans) 		PF00484
(Pro_CA) 		4 CYH A  38
ASP A  40
HIS A  91
CYH A  94
 ZN  A 167 (-2.2A)
None
ZN  A 167 (-3.2A)
ZN  A 167 (-2.3A)
 0.28A 1ekjG-3lasA:
14.4
1ekjH-3lasA:
10.1		 1ekjG-3lasA:
24.32
1ekjH-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.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Parabacteroides
distasonis) 		PF02769
(AIRS_C) 		4 CYH A  35
ASP A  91
VAL A  95
HIS A  53
 None
CA  A 391 ( 2.9A)
None
PGE  A 403 (-4.4A)
 1.43A 1ekjG-3mdoA:
undetectable
1ekjH-3mdoA:
undetectable		 1ekjG-3mdoA:
20.56
1ekjH-3mdoA:
20.56
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.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		4 CYH A  42
VAL A  66
HIS A  98
CYH A 101
 CO  A 230 (-2.2A)
None
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
 0.27A 1ekjG-3mf3A:
19.2
1ekjH-3mf3A:
19.4		 1ekjG-3mf3A:
27.87
1ekjH-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.
3mi9 PROTEIN TAT

(Human
immunodeficiency
virus 1) 		PF00539
(Tat) 		4 CYH C  34
VAL C  36
HIS C  33
CYH C  22
 ZN  C  87 (-2.3A)
None
ZN  C  87 (-3.3A)
ZN  C  87 (-2.3A)
 1.27A 1ekjG-3mi9C:
undetectable
1ekjH-3mi9C:
undetectable		 1ekjG-3mi9C:
15.94
1ekjH-3mi9C:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1

(Bos taurus) 		PF00481
(PP2C) 		4 GLN A 338
ASP A 339
VAL A 211
HIS A 333
 None
 1.42A 1ekjG-3mq3A:
undetectable
1ekjH-3mq3A:
undetectable		 1ekjG-3mq3A:
21.11
1ekjH-3mq3A:
21.11
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		4 CYH B1064
VAL B1063
HIS B1068
CYH B1558
 NFV  B2005 (-2.3A)
NFV  B2005 ( 4.8A)
NFV  B2005 (-4.0A)
NFV  B2005 (-2.3A)
 1.42A 1ekjG-3myrB:
undetectable
1ekjH-3myrB:
undetectable		 1ekjG-3myrB:
17.24
1ekjH-3myrB:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ndp ADENYLATE KINASE
ISOENZYME 4

(Homo sapiens) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 CYH A  22
ASP A  88
VAL A  21
HIS A  33
 None
 1.37A 1ekjG-3ndpA:
undetectable
1ekjH-3ndpA:
undetectable		 1ekjG-3ndpA:
21.29
1ekjH-3ndpA:
21.29
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 CYH L  78
VAL L  77
HIS L  82
CYH L 600
 NFU  L1004 (-2.2A)
None
NFU  L1004 (-4.0A)
NFU  L1004 (-2.2A)
 1.43A 1ekjG-3rgwL:
undetectable
1ekjH-3rgwL:
undetectable		 1ekjG-3rgwL:
15.97
1ekjH-3rgwL:
15.97
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.
3t5t PUTATIVE
GLYCOSYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF00982
(Glyco_transf_20) 		4 GLN A 160
ASP A 158
VAL A 156
HIS A 182
 MG  A 500 (-4.2A)
None
None
None
 1.46A 1ekjG-3t5tA:
undetectable
1ekjH-3t5tA:
undetectable		 1ekjG-3t5tA:
17.78
1ekjH-3t5tA:
17.78
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.
3teo CARBON DISULFIDE
HYDROLASE

(Acidianus sp.
A1-3) 		PF00484
(Pro_CA) 		4 CYH A  35
ASP A  37
HIS A  88
CYH A  91
 CL  A 205 (-4.3A)
None
CL  A 205 (-4.6A)
CL  A 205 ( 4.7A)
 1.12A 1ekjG-3teoA:
12.9
1ekjH-3teoA:
12.4		 1ekjG-3teoA:
24.07
1ekjH-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) 		5 CYH A  47
ASP A  49
VAL A  71
HIS A 103
CYH A 106
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
None
ZN  A 228 ( 3.3A)
ZN  A 228 ( 2.3A)
 0.28A 1ekjG-3ucnA:
21.7
1ekjH-3ucnA:
22.0		 1ekjG-3ucnA:
28.69
1ekjH-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 4 CYH A 473
ASP A 475
HIS A 525
CYH A 535
 CD  A 700 ( 2.4A)
ACT  A 800 ( 4.1A)
CD  A 700 (-3.5A)
CD  A 700 (-2.4A)
 0.28A 1ekjG-3uk8A:
undetectable
1ekjH-3uk8A:
undetectable		 1ekjG-3uk8A:
24.40
1ekjH-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 4 CYH A 473
VAL A 474
HIS A 525
CYH A 535
 CD  A 700 ( 2.4A)
None
CD  A 700 (-3.5A)
CD  A 700 (-2.4A)
 1.39A 1ekjG-3uk8A:
undetectable
1ekjH-3uk8A:
undetectable		 1ekjG-3uk8A:
24.40
1ekjH-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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		4 CYH L  79
VAL L  78
HIS L  83
CYH L 579
 FCO  L 601 ( 2.3A)
3NI  L 602 ( 4.8A)
FCO  L 601 (-3.9A)
FCO  L 601 ( 2.3A)
 1.42A 1ekjG-3uscL:
undetectable
1ekjH-3uscL:
undetectable		 1ekjG-3uscL:
18.07
1ekjH-3uscL:
18.07
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.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		4 CYH A  44
ASP A  46
HIS A  97
CYH A 100
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
 0.20A 1ekjG-3vrkA:
13.7
1ekjH-3vrkA:
13.3		 1ekjG-3vrkA:
24.69
1ekjH-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.
3vsc PROTEIN CYSO

(Aeropyrum
pernix) 		PF00291
(PALP) 		4 GLN A 224
ASP A 150
VAL A 173
HIS A 221
 SEP  A 402 (-3.3A)
None
None
None
 1.39A 1ekjG-3vscA:
undetectable
1ekjH-3vscA:
undetectable		 1ekjG-3vscA:
19.29
1ekjH-3vscA:
19.29
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.
3w95 GENOME POLYPROTEIN

(Enterovirus A) 		PF00947
(Pico_P2A) 		4 CYH A 116
VAL A 121
HIS A 118
CYH A  56
 ZN  A 201 (-2.3A)
None
ZN  A 201 (-3.3A)
ZN  A 201 (-2.2A)
 1.48A 1ekjG-3w95A:
undetectable
1ekjH-3w95A:
undetectable		 1ekjG-3w95A:
20.63
1ekjH-3w95A:
20.63
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.
3w95 GENOME POLYPROTEIN

(Enterovirus A) 		PF00947
(Pico_P2A) 		4 GLN A  95
ASP A  39
VAL A 124
HIS A  21
 None
 1.35A 1ekjG-3w95A:
undetectable
1ekjH-3w95A:
undetectable		 1ekjG-3w95A:
20.63
1ekjH-3w95A:
20.63
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 CYH B  78
VAL B  77
HIS B  82
CYH B 492
 FCO  B 500 (-2.2A)
OCS  B  75 ( 3.3A)
FCO  B 500 (-4.3A)
FCO  B 500 ( 2.3A)
 1.41A 1ekjG-3ze7B:
undetectable
1ekjH-3ze7B:
undetectable		 1ekjG-3ze7B:
20.42
1ekjH-3ze7B:
20.42
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 GLN A1061
ASP A1004
VAL A 971
HIS A1055
 CA  A2003 ( 4.8A)
CA  A2003 (-2.1A)
None
CA  A2003 (-4.1A)
 1.33A 1ekjG-3zhrA:
4.7
1ekjH-3zhrA:
4.4		 1ekjG-3zhrA:
13.82
1ekjH-3zhrA:
13.82
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.
4a4l SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 CYH A 164
ASP A 233
VAL A 161
HIS A 168
 None
 1.21A 1ekjG-4a4lA:
undetectable
1ekjH-4a4lA:
undetectable		 1ekjG-4a4lA:
21.77
1ekjH-4a4lA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b6d RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00130
(C1_1) 		4 CYH A 319
ASP A 318
VAL A 321
CYH A 335
 ZN  A1341 ( 2.2A)
None
None
ZN  A1341 ( 2.3A)
 1.42A 1ekjG-4b6dA:
undetectable
1ekjH-4b6dA:
undetectable		 1ekjG-4b6dA:
13.44
1ekjH-4b6dA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		4 GLN A 202
CYH A 285
ASP A 198
HIS A 281
 NI  A 501 (-2.8A)
None
NI  A 501 (-2.7A)
NI  A 501 (-3.6A)
 1.43A 1ekjG-4fr2A:
undetectable
1ekjH-4fr2A:
2.4		 1ekjG-4fr2A:
21.62
1ekjH-4fr2A:
21.62
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.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		4 GLN A 202
CYH A 285
VAL A 266
HIS A 281
 NI  A 501 (-2.8A)
None
None
NI  A 501 (-3.6A)
 1.37A 1ekjG-4fr2A:
undetectable
1ekjH-4fr2A:
2.4		 1ekjG-4fr2A:
21.62
1ekjH-4fr2A:
21.62
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.
4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE

(Cupriavidus
pinatubonensis) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 GLN A 417
ASP A 420
VAL A 422
HIS A 314
 None
 1.13A 1ekjG-4g5eA:
undetectable
1ekjH-4g5eA:
undetectable		 1ekjG-4g5eA:
17.60
1ekjH-4g5eA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mg3 PROTEASE 2A

(Enterovirus A) 		PF00947
(Pico_P2A) 		4 CYH A 116
VAL A 121
HIS A 118
CYH A  56
 ZN  A 201 (-2.3A)
None
ZN  A 201 (-3.2A)
ZN  A 201 (-2.2A)
 1.42A 1ekjG-4mg3A:
undetectable
1ekjH-4mg3A:
undetectable		 1ekjG-4mg3A:
19.81
1ekjH-4mg3A:
19.81
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.
4mg3 PROTEASE 2A

(Enterovirus A) 		PF00947
(Pico_P2A) 		4 GLN A  95
ASP A  39
VAL A 124
HIS A  21
 None
 1.35A 1ekjG-4mg3A:
undetectable
1ekjH-4mg3A:
undetectable		 1ekjG-4mg3A:
19.81
1ekjH-4mg3A:
19.81
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) 		4 CYH A  45
ASP A  47
HIS A 101
CYH A 104
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
ZN  A 301 (-2.3A)
 0.21A 1ekjG-4o1jA:
23.3
1ekjH-4o1jA:
23.4		 1ekjG-4o1jA:
35.71
1ekjH-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.
4ogr PROTEIN TAT

(Human
immunodeficiency
virus 1) 		PF00539
(Tat) 		4 CYH D  34
VAL D  36
HIS D  33
CYH D  22
 ZN  D 101 (-2.4A)
None
ZN  D 101 (-3.1A)
ZN  D 101 (-2.2A)
 1.27A 1ekjG-4ogrD:
undetectable
1ekjH-4ogrD:
undetectable		 1ekjG-4ogrD:
12.22
1ekjH-4ogrD:
12.22
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.
4or5 PROTEIN TAT

(Human
immunodeficiency
virus 1) 		PF00539
(Tat) 		4 CYH C  34
VAL C  36
HIS C  33
CYH C  22
 ZN  C 101 (-2.3A)
None
ZN  C 101 (-3.4A)
ZN  C 101 (-2.3A)
 1.21A 1ekjG-4or5C:
undetectable
1ekjH-4or5C:
undetectable		 1ekjG-4or5C:
13.24
1ekjH-4or5C:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		4 GLN A 384
CYH A 410
ASP A 338
VAL A 336
 None
 1.47A 1ekjG-4xjxA:
undetectable
1ekjH-4xjxA:
undetectable		 1ekjG-4xjxA:
12.77
1ekjH-4xjxA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 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 4 CYH A 119
ASP A 121
HIS A 179
CYH A 203
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.2A)
ZN  A 500 (-2.5A)
 0.37A 1ekjG-5b5xA:
11.0
1ekjH-5b5xA:
9.9		 1ekjG-5b5xA:
21.59
1ekjH-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 4 CYH A  46
ASP A  48
HIS A 102
CYH A 126
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
 0.31A 1ekjG-5b5zA:
10.5
1ekjH-5b5zA:
10.3		 1ekjG-5b5zA:
21.28
1ekjH-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.
5bk6 PUTATIVE AMIDASE

(Rhizobium
leguminosarum) 		no annotation 4 CYH A 175
ASP A  36
VAL A 176
HIS A 142
 None
 1.23A 1ekjG-5bk6A:
2.3
1ekjH-5bk6A:
2.1		 1ekjG-5bk6A:
undetectable
1ekjH-5bk6A:
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		5 CYH A  42
ASP A  44
VAL A  66
HIS A  98
CYH A 101
 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)
 0.17A 1ekjG-5bq1A:
21.9
1ekjH-5bq1A:
22.3		 1ekjG-5bq1A:
28.63
1ekjH-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.
5c8s GUANINE-N7
METHYLTRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		4 CYH B 261
ASP B 258
VAL B 263
HIS B 257
 ZN  B 602 (-2.0A)
None
None
ZN  B 602 (-3.2A)
 1.46A 1ekjG-5c8sB:
undetectable
1ekjH-5c8sB:
undetectable		 1ekjG-5c8sB:
20.56
1ekjH-5c8sB:
20.56
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.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		4 CYH A  42
VAL A  66
HIS A  98
CYH A 101
 ZN  A 301 (-2.1A)
None
ZN  A 301 (-3.2A)
ZN  A 301 (-2.0A)
 0.21A 1ekjG-5cxkA:
20.1
1ekjH-5cxkA:
20.7		 1ekjG-5cxkA:
25.83
1ekjH-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 ASP A 103
VAL A 100
HIS A 113
CYH A 118
 None
None
ZN  A 204 (-3.3A)
ZN  A 204 (-2.2A)
 1.21A 1ekjG-5dinA:
undetectable
1ekjH-5dinA:
undetectable		 1ekjG-5dinA:
20.62
1ekjH-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.
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)
 0.74A 1ekjG-5dinA:
undetectable
1ekjH-5dinA:
undetectable		 1ekjG-5dinA:
20.62
1ekjH-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.
5eco JASMONIC ACID-AMIDO
SYNTHETASE JAR1

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 GLN A 544
ASP A 405
VAL A 407
CYH A 423
 None
 1.36A 1ekjG-5ecoA:
undetectable
1ekjH-5ecoA:
undetectable		 1ekjG-5ecoA:
17.46
1ekjH-5ecoA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5w LIMITING
CO2-INDUCIBLE
PROTEIN LCIB

(Chlamydomonas
reinhardtii) 		no annotation 4 CYH A 120
ASP A 122
HIS A 180
CYH A 204
 ZN  A 500 (-2.3A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
 0.50A 1ekjG-5k5wA:
12.1
1ekjH-5k5wA:
11.3		 1ekjG-5k5wA:
22.74
1ekjH-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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 CYH A  26
ASP A  23
VAL A  27
HIS A  19
 None
MN  A 401 (-2.0A)
None
MN  A 401 (-3.5A)
 1.46A 1ekjG-5o25A:
undetectable
1ekjH-5o25A:
undetectable		 1ekjG-5o25A:
20.23
1ekjH-5o25A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 GLN A 284
ASP A 200
VAL A 204
HIS A 711
 None
 1.19A 1ekjG-5ot1A:
undetectable
1ekjH-5ot1A:
undetectable		 1ekjG-5ot1A:
undetectable
1ekjH-5ot1A:
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.
5swc CARBONIC ANHYDRASE

(Synechocystis
sp. PCC 6803) 		PF00484
(Pro_CA) 		4 CYH A  39
ASP A  41
HIS A  98
CYH A 101
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.3A)
 0.16A 1ekjG-5swcA:
24.3
1ekjH-5swcA:
25.2		 1ekjG-5swcA:
29.51
1ekjH-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.
5tte E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		4 CYH B 372
VAL B 374
HIS B 382
CYH B 389
 ZN  B 602 (-2.4A)
None
ZN  B 602 (-3.2A)
ZN  B 602 (-2.4A)
 1.30A 1ekjG-5tteB:
undetectable
1ekjH-5tteB:
undetectable		 1ekjG-5tteB:
15.30
1ekjH-5tteB:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj8 ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF07034
(ORC3_N) 		4 GLN A 322
ASP A 113
VAL A 109
CYH A 281
 None
 1.47A 1ekjG-5uj8A:
undetectable
1ekjH-5uj8A:
undetectable		 1ekjG-5uj8A:
14.63
1ekjH-5uj8A:
14.63
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.
5w2h INOSITOL
POLYPHOSPHATE
MULTIKINASE,INOSITOL
POLYPHOSPHATE
MULTIKINASE

(Homo sapiens) 		PF03770
(IPK) 		4 GLN A 245
CYH A  98
ASP A 100
VAL A  93
 None
 1.31A 1ekjG-5w2hA:
undetectable
1ekjH-5w2hA:
undetectable		 1ekjG-5w2hA:
21.38
1ekjH-5w2hA:
21.38
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.
5x45 PROTEASE 2A

(Rhinovirus C) 		no annotation 4 GLN A  90
CYH A  16
ASP A  34
HIS A  18
 None
 1.15A 1ekjG-5x45A:
undetectable
1ekjH-5x45A:
undetectable		 1ekjG-5x45A:
undetectable
1ekjH-5x45A:
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.
5yd0 SCHLAFEN 8

(Rattus
norvegicus) 		no annotation 4 CYH A 283
VAL A 158
HIS A 281
CYH A 318
 ZN  A 900 (-2.8A)
None
ZN  A 900 (-3.0A)
ZN  A 900 (-2.5A)
 1.49A 1ekjG-5yd0A:
undetectable
1ekjH-5yd0A:
undetectable		 1ekjG-5yd0A:
undetectable
1ekjH-5yd0A:
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  38
ASP A  40
HIS A  90
CYH A  93
 SO4  A 201 (-1.3A)
SO4  A 201 (-3.5A)
SO4  A 201 (-3.0A)
SO4  A 201 (-1.2A)
 0.48A 1ekjG-5ztpA:
13.7
1ekjH-5ztpA:
13.8		 1ekjG-5ztpA:
undetectable
1ekjH-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.
6ek9 -

(-) 		no annotation 4 GLN A  36
CYH A 117
VAL A 116
CYH A  41
 None
CU1  A 207 ( 2.2A)
None
CU1  A 205 (-2.1A)
 1.38A 1ekjG-6ek9A:
undetectable
1ekjH-6ek9A:
undetectable		 1ekjG-6ek9A:
undetectable
1ekjH-6ek9A:
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.
6etx INO80 COMPLEX
SUBUNIT B

(synthetic
construct) 		no annotation 4 GLN R 333
CYH R 314
VAL R 311
CYH R 330
 None
ZN  R 401 (-2.5A)
None
ZN  R 401 (-2.4A)
 1.48A 1ekjG-6etxR:
undetectable
1ekjH-6etxR:
undetectable		 1ekjG-6etxR:
undetectable
1ekjH-6etxR:
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 629
ASP A 633
VAL A 570
HIS A 635
 None
 1.43A 1ekjG-6fbtA:
undetectable
1ekjH-6fbtA:
undetectable		 1ekjG-6fbtA:
undetectable
1ekjH-6fbtA:
undetectable