SIMILAR PATTERNS OF AMINO ACIDS FOR 1EKJ_G_ACTG3002_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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		6 CYH A 149
HIS A 205
CYH A 208
GLY A 209
GLY A 210
TYR A 444
 ZN  A   1 (-2.4A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
ZN  A   1 (-4.7A)
None
None
 0.36A 1ekjG-1ddzA:
18.6
1ekjH-1ddzA:
19.0		 1ekjG-1ddzA:
19.38
1ekjH-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) 		6 CYH A 403
HIS A 459
CYH A 462
GLY A 463
GLY A 464
TYR A 190
 ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-2.2A)
None
None
None
 0.51A 1ekjG-1ddzA:
18.6
1ekjH-1ddzA:
19.0		 1ekjG-1ddzA:
19.38
1ekjH-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 224
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.4A)
 0.97A 1ekjG-1ekjA:
31.6
1ekjH-1ekjA:
32.7		 1ekjG-1ekjA:
100.00
1ekjH-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
HIS A 220
CYH A 223
GLY A 224
GLY A 225
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.4A)
ACT  A3001 (-3.7A)
 0.15A 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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ASP A 106
HIS A  76
GLY A 109
GLY A 110
 None
 0.86A 1ekjG-1ethA:
undetectable
1ekjH-1ethA:
undetectable		 1ekjG-1ethA:
18.38
1ekjH-1ethA:
18.38
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.
1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 CYH A 138
CYH A 101
GLY B 265
GLN B 524
 FES  A1907 ( 2.3A)
FES  A1907 (-2.3A)
None
PCD  B1920 (-3.5A)
 0.87A 1ekjG-1ffvA:
undetectable
1ekjH-1ffvA:
undetectable		 1ekjG-1ffvA:
20.80
1ekjH-1ffvA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g5c BETA-CARBONIC
ANHYDRASE

(Methanothermobacter
thermautotrophicus) 		PF00484
(Pro_CA) 		4 ASP A  34
HIS A  87
CYH A  90
GLY A  91
 EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.93A 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.
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
 0.72A 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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 CYH A 150
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
None
 0.78A 1ekjG-1n5xA:
undetectable
1ekjH-1n5xA:
undetectable		 1ekjG-1n5xA:
10.37
1ekjH-1n5xA:
10.37
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.
1qas PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 ASP A 595
GLY A 597
GLY A 598
GLN A 296
 None
 0.87A 1ekjG-1qasA:
undetectable
1ekjH-1qasA:
undetectable		 1ekjG-1qasA:
18.93
1ekjH-1qasA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 1ekjG-1s24A:
undetectable
1ekjH-1s24A:
undetectable		 1ekjG-1s24A:
18.31
1ekjH-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.
1vg0 RAB PROTEINS
GERANYLGERANYLTRANSF
ERASE COMPONENT A 1

(Rattus
norvegicus) 		PF00996
(GDI) 		4 CYH A 385
HIS A  36
GLY A  17
GLY A  44
 None
 0.81A 1ekjG-1vg0A:
undetectable
1ekjH-1vg0A:
undetectable		 1ekjG-1vg0A:
17.00
1ekjH-1vg0A:
17.00
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.
1ynw RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00105
(zf-C4) 		4 CYH B 238
ASP B 240
CYH B 252
GLY B 254
 ZN  B 350 (-2.4A)
None
ZN  B 350 (-2.5A)
None
 0.82A 1ekjG-1ynwB:
undetectable
1ekjH-1ynwB:
undetectable		 1ekjG-1ynwB:
13.96
1ekjH-1ynwB:
13.96
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.
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)
 0.16A 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.
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)
 1.00A 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.
2bi0 HYPOTHETICAL PROTEIN
RV0216

(Mycobacterium
tuberculosis) 		no annotation 4 HIS A 237
GLY A 250
GLY A 251
TYR A  94
 None
 0.77A 1ekjG-2bi0A:
undetectable
1ekjH-2bi0A:
undetectable		 1ekjG-2bi0A:
22.29
1ekjH-2bi0A:
22.29
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.
2ckh SENTRIN-SPECIFIC
PROTEASE 1

(Homo sapiens) 		PF02902
(Peptidase_C48) 		4 CYH A 535
HIS A 533
GLY A 554
GLY A 553
 None
 0.89A 1ekjG-2ckhA:
undetectable
1ekjH-2ckhA:
undetectable		 1ekjG-2ckhA:
18.18
1ekjH-2ckhA:
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.
2e73 PROTEIN KINASE C
GAMMA TYPE

(Homo sapiens) 		PF00130
(C1_1) 		4 CYH A  66
HIS A  36
CYH A  85
GLY A  87
 ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.2A)
None
 0.86A 1ekjG-2e73A:
undetectable
1ekjH-2e73A:
undetectable		 1ekjG-2e73A:
18.10
1ekjH-2e73A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eaa 7S GLOBULIN-3

(Vigna angularis) 		PF00190
(Cupin_1) 		4 ASP A 370
HIS A 403
GLY A 368
GLY A 367
 None
 0.82A 1ekjG-2eaaA:
undetectable
1ekjH-2eaaA:
undetectable		 1ekjG-2eaaA:
19.68
1ekjH-2eaaA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2env PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00105
(zf-C4) 		4 CYH A  77
ASP A  79
CYH A  91
GLY A  93
 ZN  A 200 (-2.3A)
None
ZN  A 200 ( 2.2A)
None
 0.87A 1ekjG-2envA:
undetectable
1ekjH-2envA:
undetectable		 1ekjG-2envA:
18.35
1ekjH-2envA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A  44
HIS A  98
CYH A 101
GLY A 103
 ZN  A 300 (-2.3A)
ZN  A 300 (-3.1A)
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
 0.98A 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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		5 CYH A  42
HIS A  98
CYH A 101
GLY A 102
GLY A 103
 ZN  A 300 (-2.3A)
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
None
 0.17A 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.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		4 CYH A 283
CYH A 247
GLY A 251
GLY A 252
 ZN  A 501 (-2.3A)
ZN  A 501 (-2.5A)
None
None
 0.90A 1ekjG-2f4oA:
undetectable
1ekjH-2f4oA:
undetectable		 1ekjG-2f4oA:
21.86
1ekjH-2f4oA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.22A 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.
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
 0.91A 1ekjG-2jw6A:
undetectable
1ekjH-2jw6A:
undetectable		 1ekjG-2jw6A:
12.67
1ekjH-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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 ASP A 151
GLY A 200
GLY A 199
GLN A 205
 None
 0.80A 1ekjG-2nxfA:
undetectable
1ekjH-2nxfA:
undetectable		 1ekjG-2nxfA:
21.65
1ekjH-2nxfA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP C 202
GLY C 168
GLY C 169
GLN C 242
 None
 0.84A 1ekjG-2nymC:
undetectable
1ekjH-2nymC:
undetectable		 1ekjG-2nymC:
20.79
1ekjH-2nymC:
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		4 ASP A  56
HIS A  91
GLY A 167
GLY A 209
 None
ZN  A 302 (-3.2A)
None
ZN  A 302 ( 4.8A)
 0.91A 1ekjG-2nypA:
undetectable
1ekjH-2nypA:
undetectable		 1ekjG-2nypA:
23.32
1ekjH-2nypA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 1ekjG-2oddA:
undetectable
1ekjH-2oddA:
undetectable		 1ekjG-2oddA:
13.81
1ekjH-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.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 CYH A 293
GLY A 294
GLY A 295
TYR A  68
 None
 0.82A 1ekjG-2qq6A:
undetectable
1ekjH-2qq6A:
undetectable		 1ekjG-2qq6A:
18.61
1ekjH-2qq6A:
18.61
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.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
ASP A  70
HIS A 124
CYH A 127
GLY A 128
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.4A)
 1.02A 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.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		6 CYH A  68
ASP A  70
HIS A 124
CYH A 127
GLY A 128
GLY A 129
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.4A)
ACT  A1233 (-3.9A)
 0.18A 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.
2yuu PROTEIN KINASE C
DELTA TYPE

(Homo sapiens) 		PF00130
(C1_1) 		4 CYH A  48
HIS A  18
CYH A  67
GLY A  69
 ZN  A 201 ( 2.3A)
ZN  A 201 (-3.1A)
ZN  A 201 ( 2.3A)
None
 0.77A 1ekjG-2yuuA:
undetectable
1ekjH-2yuuA:
undetectable		 1ekjG-2yuuA:
19.82
1ekjH-2yuuA:
19.82
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 HIS A 179
GLY A 199
GLY A 198
GLN A 248
 None
 0.88A 1ekjG-3b7fA:
undetectable
1ekjH-3b7fA:
undetectable		 1ekjG-3b7fA:
19.70
1ekjH-3b7fA:
19.70
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.
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 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 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)
 0.98A 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 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 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 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)
 0.97A 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.
3cbb HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA, DNA
BINDING DOMAIN

(Homo sapiens) 		PF00105
(zf-C4) 		4 CYH A  54
ASP A  56
CYH A  68
GLY A  70
 ZN  A1001 (-2.3A)
None
ZN  A1001 (-2.3A)
None
 0.89A 1ekjG-3cbbA:
undetectable
1ekjH-3cbbA:
undetectable		 1ekjG-3cbbA:
18.58
1ekjH-3cbbA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		5 CYH A  57
ASP A  59
HIS A 112
CYH A 115
GLY A 116
 ZN  A   1 ( 2.3A)
ZN  A   1 ( 4.8A)
ZN  A   1 (-3.2A)
ZN  A   1 ( 2.2A)
ACT  A 222 (-3.2A)
 1.01A 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.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		6 CYH A  57
ASP A  59
HIS A 112
CYH A 115
GLY A 116
GLY A 117
 ZN  A   1 ( 2.3A)
ZN  A   1 ( 4.8A)
ZN  A   1 (-3.2A)
ZN  A   1 ( 2.2A)
ACT  A 222 (-3.2A)
ACT  A 222 (-3.6A)
 0.34A 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.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 HIS A  53
GLY A  89
GLY A  90
TYR A 123
 MG  A 282 (-3.5A)
None
None
None
 0.86A 1ekjG-3fa5A:
undetectable
1ekjH-3fa5A:
undetectable		 1ekjG-3fa5A:
22.26
1ekjH-3fa5A:
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.
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
 0.83A 1ekjG-3j9dA:
undetectable
1ekjH-3j9dA:
undetectable		 1ekjG-3j9dA:
14.12
1ekjH-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.
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 1ekjG-3lasA:
14.4
1ekjH-3lasA:
9.4		 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.
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)
 0.79A 1ekjG-3lasA:
14.4
1ekjH-3lasA:
9.4		 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.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 CYH A  42
HIS A  98
CYH A 101
GLY A 102
GLY A 103
 CO  A 230 (-2.2A)
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
None
 0.31A 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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 ASP A 228
GLY A 288
GLY A 287
GLN A 290
 GEM  A 601 (-3.1A)
None
None
None
 0.85A 1ekjG-3mn8A:
undetectable
1ekjH-3mn8A:
undetectable		 1ekjG-3mn8A:
21.10
1ekjH-3mn8A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 CYH A 286
GLY A 287
GLY A 288
TYR A  82
 None
 0.68A 1ekjG-3mqtA:
undetectable
1ekjH-3mqtA:
undetectable		 1ekjG-3mqtA:
20.15
1ekjH-3mqtA:
20.15
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.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		4 HIS A  49
GLY A  85
GLY A  86
TYR A 119
 ZN  A 275 (-3.3A)
None
None
None
 0.67A 1ekjG-3no5A:
undetectable
1ekjH-3no5A:
undetectable		 1ekjG-3no5A:
20.22
1ekjH-3no5A:
20.22
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.
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
 1.02A 1ekjG-3teoA:
12.9
1ekjH-3teoA:
9.5		 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
HIS A 103
CYH A 106
GLY A 107
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
ZN  A 228 ( 3.3A)
ZN  A 228 ( 2.3A)
AZI  A 229 (-4.1A)
 0.13A 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.
3ucn CARBONIC ANHYDRASE

(Coccomyxa sp.
PA) 		PF00484
(Pro_CA) 		5 CYH A  47
ASP A  49
HIS A 103
CYH A 106
GLY A 107
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
ZN  A 228 ( 3.3A)
ZN  A 228 ( 2.3A)
AZI  A 229 (-4.1A)
 0.98A 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 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 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 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)
 0.97A 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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 ASP A 208
GLY A 174
GLY A 175
GLN A 249
 None
 0.73A 1ekjG-3v4yA:
undetectable
1ekjH-3v4yA:
undetectable		 1ekjG-3v4yA:
21.54
1ekjH-3v4yA:
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.
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)
 0.19A 1ekjG-3vrkA:
13.8
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.
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)
 0.88A 1ekjG-3vrkA:
13.8
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 ASP A 186
HIS A 141
GLY A 338
GLY A 337
 ZN  A 500 (-2.3A)
B3N  A 700 (-3.9A)
None
None
 0.92A 1ekjG-4bz7A:
undetectable
1ekjH-4bz7A:
undetectable		 1ekjG-4bz7A:
19.87
1ekjH-4bz7A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 CYH A  32
CYH A  11
GLY A  15
GLY A  16
 ZN  A1202 (-2.3A)
ZN  A1202 (-2.3A)
None
None
 0.84A 1ekjG-4ddwA:
3.7
1ekjH-4ddwA:
3.9		 1ekjG-4ddwA:
11.10
1ekjH-4ddwA:
11.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 CYH A  54
ASP A  56
CYH A  68
GLY A  70
 ZN  A 402 (-2.1A)
None
ZN  A 402 (-2.4A)
None
 0.77A 1ekjG-4iqrA:
undetectable
1ekjH-4iqrA:
undetectable		 1ekjG-4iqrA:
18.77
1ekjH-4iqrA:
18.77
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.
4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE

(Escherichia
coli) 		PF13489
(Methyltransf_23) 		4 ASP A  62
GLY A  68
GLY A  67
TYR A 107
 SAH  A 301 ( 4.5A)
None
None
None
 0.89A 1ekjG-4kdrA:
2.4
1ekjH-4kdrA:
2.5		 1ekjG-4kdrA:
19.28
1ekjH-4kdrA:
19.28
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.
4mdr AP-4 COMPLEX SUBUNIT
MU-1

(Homo sapiens) 		PF00928
(Adap_comp_sub) 		4 ASP A 320
CYH A 319
GLY A 371
GLY A 370
 None
 0.78A 1ekjG-4mdrA:
undetectable
1ekjH-4mdrA:
undetectable		 1ekjG-4mdrA:
21.82
1ekjH-4mdrA:
21.82
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.
4nqa LIVER X NUCLEAR
RECEPTOR BETA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 CYH B 141
CYH B 131
GLY B 129
GLY B 128
 ZN  B 503 (-2.3A)
ZN  B 503 (-2.3A)
None
None
 0.86A 1ekjG-4nqaB:
undetectable
1ekjH-4nqaB:
undetectable		 1ekjG-4nqaB:
19.69
1ekjH-4nqaB:
19.69
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.
4nqa LIVER X NUCLEAR
RECEPTOR BETA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 CYH B 144
CYH B 125
GLY B 127
GLY B 128
 ZN  B 503 (-2.3A)
ZN  B 503 (-2.2A)
None
None
 0.75A 1ekjG-4nqaB:
undetectable
1ekjH-4nqaB:
undetectable		 1ekjG-4nqaB:
19.69
1ekjH-4nqaB:
19.69
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
 0.94A 1ekjG-4o1jA:
23.3
1ekjH-4o1jA:
23.4		 1ekjG-4o1jA:
35.71
1ekjH-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) 		6 CYH A  45
ASP A  47
HIS A 101
CYH A 104
GLY A 105
GLY A 106
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
ZN  A 301 (-2.3A)
None
None
 0.22A 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.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  56
HIS A 112
CYH A 115
GLY A 116
GLY A 117
 ZN  A 301 (-2.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.2A)
None
None
 0.30A 1ekjG-4o1kA:
21.7
1ekjH-4o1kA:
21.6		 1ekjG-4o1kA:
28.57
1ekjH-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.
4oln ANCSR1

(synthetic
construct) 		PF00105
(zf-C4) 		4 CYH A  10
ASP A  12
CYH A  24
GLY A  26
 ZN  A 101 (-2.2A)
None
ZN  A 101 (-2.3A)
None
 0.80A 1ekjG-4olnA:
undetectable
1ekjH-4olnA:
undetectable		 1ekjG-4olnA:
15.60
1ekjH-4olnA:
15.60
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.
4p7y METHIONINE
GAMMA-LYASE

(Citrobacter
freundii) 		PF01053
(Cys_Met_Meta_PP) 		5 CYH A 193
CYH A 269
GLY A 311
GLY A 310
TYR A 211
 None
 1.48A 1ekjG-4p7yA:
undetectable
1ekjH-4p7yA:
undetectable		 1ekjG-4p7yA:
20.45
1ekjH-4p7yA:
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.
4txd CSC2

(Thermofilum
pendens) 		no annotation 4 CYH A 130
HIS A 154
CYH A 155
GLY A 150
 ZN  A 401 (-2.2A)
ZN  A 401 (-4.1A)
ZN  A 401 (-2.3A)
ZN  A 401 ( 4.9A)
 0.82A 1ekjG-4txdA:
undetectable
1ekjH-4txdA:
undetectable		 1ekjG-4txdA:
21.84
1ekjH-4txdA:
21.84
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 ASP A 219
GLY A  26
GLY A  25
GLN A 136
 INS  A 301 (-2.7A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
MG  A 303 ( 2.9A)
 0.92A 1ekjG-4xf7A:
undetectable
1ekjH-4xf7A:
undetectable		 1ekjG-4xf7A:
23.49
1ekjH-4xf7A:
23.49
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.
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)
 0.28A 1ekjG-4yf6A:
13.5
1ekjH-4yf6A:
13.8		 1ekjG-4yf6A:
23.29
1ekjH-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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 CYH A 149
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 (-2.6A)
None
None
None
 0.87A 1ekjG-4yswA:
undetectable
1ekjH-4yswA:
undetectable		 1ekjG-4yswA:
11.25
1ekjH-4yswA:
11.25
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.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 HIS A 114
CYH A 198
GLY A 197
GLY A 239
TYR A 195
 ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
None
None
None
 1.42A 1ekjG-5a87A:
undetectable
1ekjH-5a87A:
undetectable		 1ekjG-5a87A:
21.89
1ekjH-5a87A:
21.89
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 CYH A 435
CYH A 473
GLY A 477
GLY A 478
 ZN  A 900 (-2.3A)
ZN  A 900 (-2.3A)
None
None
 0.88A 1ekjG-5ah5A:
undetectable
1ekjH-5ah5A:
undetectable		 1ekjG-5ah5A:
14.36
1ekjH-5ah5A:
14.36
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.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		4 ASP A 240
HIS A 339
GLY A 158
GLY A 159
 None
 0.85A 1ekjG-5ax7A:
undetectable
1ekjH-5ax7A:
undetectable		 1ekjG-5ax7A:
21.57
1ekjH-5ax7A:
21.57
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.
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
 0.38A 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.
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
 1.08A 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 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
 0.29A 1ekjG-5b5zA:
10.4
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 4 CYH A  46
HIS A 102
CYH A 126
GLY A 127
 ZN  A 500 (-2.2A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
 0.92A 1ekjG-5b5zA:
10.4
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		5 CYH A  42
ASP A  44
HIS A  98
CYH A 101
GLY A 102
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 ( 4.5A)
 1.00A 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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		6 CYH A  42
ASP A  44
HIS A  98
CYH A 101
GLY A 102
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 ( 4.5A)
CO2  A 302 (-3.7A)
 0.16A 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.
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
 0.89A 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.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		5 CYH A  42
HIS A  98
CYH A 101
GLY A 102
GLY A 103
 ZN  A 301 (-2.1A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.0A)
None
None
 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) 		5 CYH A  95
ASP A 103
HIS A 113
CYH A 118
GLY A 120
 ZN  A 204 (-2.3A)
None
ZN  A 204 (-3.3A)
ZN  A 204 (-2.2A)
None
 0.82A 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.
5h7s E3 UBIQUITIN-PROTEIN
LIGASE LNX

(Homo sapiens) 		no annotation 4 CYH D  95
HIS D 113
CYH D 118
GLY D 120
 ZN  D 204 (-2.3A)
ZN  D 204 (-3.2A)
ZN  D 204 (-2.3A)
None
 0.47A 1ekjG-5h7sD:
undetectable
1ekjH-5h7sD:
undetectable		 1ekjG-5h7sD:
20.98
1ekjH-5h7sD:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.48A 1ekjG-5k5wA:
12.1
1ekjH-5k5wA:
11.2		 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.
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
 1.20A 1ekjG-5k5wA:
12.1
1ekjH-5k5wA:
11.2		 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.
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
 0.86A 1ekjG-5krbB:
undetectable
1ekjH-5krbB:
undetectable		 1ekjG-5krbB:
15.00
1ekjH-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.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		5 HIS E 116
CYH E 221
GLY E 220
GLY E 262
TYR E 218
 ZN  E 403 (-3.3A)
ZN  E 401 (-2.3A)
None
None
None
 1.45A 1ekjG-5mmdE:
undetectable
1ekjH-5mmdE:
undetectable		 1ekjG-5mmdE:
20.41
1ekjH-5mmdE:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases) 		4 HIS F  69
GLY F 158
GLY F 159
GLN F 172
 None
 0.91A 1ekjG-5odrF:
undetectable
1ekjH-5odrF:
undetectable		 1ekjG-5odrF:
19.44
1ekjH-5odrF:
19.44
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.
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
 0.15A 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.
5uan RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		no annotation 4 CYH B  84
ASP B  86
CYH B  98
GLY B 100
 ZN  B 501 (-2.2A)
None
ZN  B 501 (-2.3A)
None
 0.81A 1ekjG-5uanB:
undetectable
1ekjH-5uanB:
undetectable		 1ekjG-5uanB:
18.18
1ekjH-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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 4 ASP A 482
HIS A 309
GLY A 477
GLY A 476
 None
 0.89A 1ekjG-5wabA:
2.4
1ekjH-5wabA:
2.1		 1ekjG-5wabA:
undetectable
1ekjH-5wabA:
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 4 CYH A 263
GLY A 222
GLY A 223
TYR A 186
 None
 0.82A 1ekjG-5wzeA:
undetectable
1ekjH-5wzeA:
undetectable		 1ekjG-5wzeA:
undetectable
1ekjH-5wzeA:
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.
5y20 PHD FINGER PROTEIN
ALFIN-LIKE 1

(Arabidopsis
thaliana) 		no annotation 4 CYH A  34
CYH A   7
GLY A  11
GLY A  12
 ZN  A 101 (-2.2A)
ZN  A 101 (-2.3A)
None
None
 0.89A 1ekjG-5y20A:
undetectable
1ekjH-5y20A:
undetectable		 1ekjG-5y20A:
undetectable
1ekjH-5y20A:
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.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 4 ASP A 269
GLY A 265
GLY A 266
GLN A  55
 None
 0.83A 1ekjG-5ze8A:
undetectable
1ekjH-5ze8A:
undetectable		 1ekjG-5ze8A:
undetectable
1ekjH-5ze8A:
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 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 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.
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)
 0.97A 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.
6d2v TERB OXIDOREDUCTASE

(Streptomyces) 		no annotation 4 ASP A 215
HIS A 219
GLY A 238
GLY A 237
 None
 0.86A 1ekjG-6d2vA:
undetectable
1ekjH-6d2vA:
undetectable		 1ekjG-6d2vA:
undetectable
1ekjH-6d2vA:
undetectable