SIMILAR PATTERNS OF AMINO ACIDS FOR 3UCJ_B_AZMB229_2

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.
1bwe PROTEIN (FERREDOXIN)

(Hydrogenibacillus
schlegelii) 		PF00037
(Fer4) 		5 VAL A  19
CYH A  42
GLY A  43
ALA A  44
ALA A  47
 None
SF4  A  79 (-2.1A)
None
SF4  A  79 ( 3.9A)
None
 1.15A 3ucjB-1bweA:
undetectable		 3ucjB-1bweA:
18.32
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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 CYH A 287
ASP A 266
CYH A 264
GLY A 268
ALA A 269
 ZN  A 600 (-2.2A)
None
ZN  A 600 (-2.3A)
None
ZN  A 600 ( 4.4A)
 1.14A 3ucjB-1dcqA:
undetectable		 3ucjB-1dcqA:
21.51
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 149
HIS A 205
CYH A 208
GLY A 209
ALA A 213
 ZN  A   1 (-2.4A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
ZN  A   1 (-4.7A)
None
 0.34A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 149
HIS A 205
CYH A 208
GLY A 210
ALA A 214
 ZN  A   1 (-2.4A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
None
None
 1.18A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 403
HIS A 459
CYH A 462
GLY A 463
ALA A 467
 ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-2.2A)
None
None
 0.40A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 403
HIS A 459
CYH A 462
GLY A 464
ALA A 468
 ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-2.2A)
None
None
 1.13A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 HIS A 205
CYH A 208
GLY A 209
ALA A 211
ALA A 213
 ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
ZN  A   1 (-4.7A)
None
None
 1.21A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 HIS A 205
CYH A 208
GLY A 210
ALA A 211
ALA A 214
 ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
None
None
None
 1.18A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e8j RUBREDOXIN

(Desulfovibrio
gigas) 		PF00301
(Rubredoxin) 		5 CYH A   6
VAL A   8
CYH A  39
GLY A  43
ALA A  44
 None
 1.21A 3ucjB-1e8jA:
undetectable		 3ucjB-1e8jA:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e8j RUBREDOXIN

(Desulfovibrio
gigas) 		PF00301
(Rubredoxin) 		5 CYH A   9
VAL A   8
CYH A  39
GLY A  43
ALA A  44
 None
 1.13A 3ucjB-1e8jA:
undetectable		 3ucjB-1e8jA:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 ASP A1056
VAL A1298
ALA A1291
ALA A1287
THR A1300
 None
 1.15A 3ucjB-1eg7A:
4.2		 3ucjB-1eg7A:
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 ASP A 162
HIS A 220
CYH A 223
GLY A 225
ALA A 185
 ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.7A)
None
 1.20A 3ucjB-1ekjA:
22.5		 3ucjB-1ekjA:
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 CYH A 160
ASP A 162
HIS A 220
CYH A 223
GLY A 225
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.7A)
 1.10A 3ucjB-1ekjA:
22.5		 3ucjB-1ekjA:
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		6 CYH A 160
ASP A 162
VAL A 184
HIS A 220
CYH A 223
GLY A 224
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ACT  A3001 ( 4.9A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.4A)
 0.36A 3ucjB-1ekjA:
22.5		 3ucjB-1ekjA:
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.
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
 0.59A 3ucjB-1g5cA:
14.4		 3ucjB-1g5cA:
24.24
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 511
GLY A 467
ALA A 469
ALA A 471
THR A 336
 None
 1.16A 3ucjB-1gpeA:
undetectable		 3ucjB-1gpeA:
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.
1nvt SHIKIMATE
5'-DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ASP A 111
VAL A 143
GLY A 114
ALA A 115
ALA A 118
 None
 1.16A 3ucjB-1nvtA:
undetectable		 3ucjB-1nvtA:
23.45
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 441
GLY A 431
ALA A 432
ALA A  66
THR A 391
 None
 0.93A 3ucjB-1ozhA:
undetectable		 3ucjB-1ozhA:
18.09
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.
1qah PERCHLORIC ACID
SOLUBLE PROTEIN

(Rattus
norvegicus) 		PF01042
(Ribonuc_L-PSP) 		5 ASP A  71
CYH A  70
GLY A  69
ALA A  68
THR A  10
 None
 1.18A 3ucjB-1qahA:
undetectable		 3ucjB-1qahA:
21.93
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		5 ASP A  88
VAL A 181
GLY A 178
ALA A 179
ALA A 127
 None
None
FMT  A 606 ( 4.6A)
None
None
 1.22A 3ucjB-1qwrA:
undetectable		 3ucjB-1qwrA:
20.37
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 VAL B 166
GLY B 323
ALA B 361
ALA B 325
THR B  99
 None
 1.18A 3ucjB-1t3qB:
undetectable		 3ucjB-1t3qB:
15.07
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.
1t9p RUBREDOXIN

(Clostridium
pasteurianum) 		PF00301
(Rubredoxin) 		5 CYH A   9
VAL A   8
CYH A  39
GLY A  43
ALA A  44
 FE  A  55 (-2.3A)
None
FE  A  55 (-2.3A)
None
FE  A  55 ( 4.6A)
 1.19A 3ucjB-1t9pA:
undetectable		 3ucjB-1t9pA:
15.23
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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 ASP A 250
VAL A 287
GLY A 253
ALA A 254
ALA A 257
 None
 1.22A 3ucjB-1wyeA:
undetectable		 3ucjB-1wyeA:
23.00
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.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 5 ASP A  71
VAL A  23
GLY A  66
ALA A  65
ALA A  64
 None
 1.05A 3ucjB-1y8aA:
undetectable		 3ucjB-1y8aA:
19.40
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		7 CYH A  51
ASP A  53
HIS A 104
CYH A 107
GLY A 108
ALA A 109
ALA A 112
 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)
SCN  A 501 ( 4.4A)
None
 0.27A 3ucjB-2a5vA:
19.8		 3ucjB-2a5vA:
27.69
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 CYH A  51
HIS A 104
CYH A 107
ALA A 109
ALA A 113
 ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 2.3A)
SCN  A 501 ( 4.4A)
None
 1.15A 3ucjB-2a5vA:
19.8		 3ucjB-2a5vA:
27.69
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.
2aif RIBOSOMAL PROTEIN
L7A

(Cryptosporidium
parvum) 		PF01248
(Ribosomal_L7Ae) 		5 CYH A  98
GLY A  43
ALA A 107
ALA A  47
THR A 110
 None
 1.13A 3ucjB-2aifA:
undetectable		 3ucjB-2aifA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b0o UPLC1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 CYH E 464
ASP E 443
CYH E 441
GLY E 445
ALA E 446
 ZN  E 698 (-2.3A)
None
ZN  E 698 (-2.3A)
None
ZN  E 698 ( 4.5A)
 1.15A 3ucjB-2b0oE:
undetectable		 3ucjB-2b0oE:
24.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		6 CYH A  42
ASP A  44
HIS A  98
CYH A 101
GLY A 103
ALA A 107
 ZN  A 300 (-2.3A)
ZN  A 300 (-3.1A)
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
None
 1.19A 3ucjB-2esfA:
27.1		 3ucjB-2esfA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
ALA A 107
 ZN  A 300 (-2.3A)
None
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
 0.91A 3ucjB-2esfA:
27.1		 3ucjB-2esfA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		6 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
ALA A 106
 ZN  A 300 (-2.3A)
None
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
None
 0.29A 3ucjB-2esfA:
27.1		 3ucjB-2esfA:
36.56
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.
2exr CYTOKININ
DEHYDROGENASE 7

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 ASP A  73
VAL A  66
GLY A  76
ALA A  77
ALA A  80
 None
 1.02A 3ucjB-2exrA:
undetectable		 3ucjB-2exrA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fgy CARBOXYSOME SHELL
POLYPEPTIDE

(Halothiobacillus
neapolitanus) 		PF08936
(CsoSCA) 		5 CYH A 173
ASP A 175
HIS A 242
CYH A 253
ALA A 255
 ZN  A 620 (-2.2A)
ZN  A 620 ( 4.7A)
ZN  A 620 (-3.3A)
ZN  A 620 (-2.3A)
None
 0.26A 3ucjB-2fgyA:
7.8		 3ucjB-2fgyA:
19.00
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.
2oqh PUTATIVE ISOMERASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A  60
GLY A  93
ALA A  96
ALA A  95
THR A  34
 None
 1.19A 3ucjB-2oqhA:
undetectable		 3ucjB-2oqhA:
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.
2p57 GTPASE-ACTIVATING
PROTEIN ZNF289

(Homo sapiens) 		PF01412
(ArfGap) 		5 CYH A  49
ASP A  28
CYH A  26
GLY A  30
ALA A  31
 ZN  A 201 (-2.3A)
None
ZN  A 201 (-2.3A)
None
ZN  A 201 ( 4.5A)
 1.08A 3ucjB-2p57A:
undetectable		 3ucjB-2p57A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2prx THIOESTERASE
SUPERFAMILY PROTEIN

(Shewanella
loihica) 		PF03061
(4HBT) 		5 VAL A 129
GLY A  71
ALA A  73
ALA A  75
TRP A  34
 None
 1.15A 3ucjB-2prxA:
undetectable		 3ucjB-2prxA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 ASP A 252
VAL A 288
GLY A 255
ALA A 256
THR A 298
 None
None
ANP  A1315 (-3.0A)
AMP  A1316 ( 3.5A)
None
 1.20A 3ucjB-2varA:
undetectable		 3ucjB-2varA:
23.22
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.
2vq0 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		5 VAL A 169
GLY A  87
ALA A 247
ALA A 246
THR A 135
 None
 1.14A 3ucjB-2vq0A:
undetectable		 3ucjB-2vq0A:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 ASP A  70
HIS A 124
CYH A 127
GLY A 129
ALA A  93
 ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.9A)
None
 1.19A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		6 CYH A  68
ASP A  70
HIS A 124
CYH A 127
GLY A 129
ALA A 132
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.9A)
None
 1.31A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		7 CYH A  68
ASP A  70
VAL A  92
HIS A 124
CYH A 127
GLY A 128
ALA A 132
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ACT  A1233 ( 4.1A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.4A)
None
 0.25A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
HIS A 124
CYH A 127
GLY A 129
ALA A 133
 ZN  A1232 ( 2.2A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.9A)
None
 1.17A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
VAL A  92
HIS A 124
CYH A 127
ALA A 133
 ZN  A1232 ( 2.2A)
ACT  A1233 ( 4.1A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
None
 0.89A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		5 VAL A 126
GLY A 139
ALA A 140
ALA A 143
THR A 124
 None
 1.03A 3ucjB-2wk8A:
undetectable		 3ucjB-2wk8A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.41A 3ucjB-3boeA:
undetectable		 3ucjB-3boeA:
22.58
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 263
VAL A 264
HIS A 315
CYH A 325
GLY A 326
 CD  A1001 ( 2.4A)
None
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.7A)
 1.22A 3ucjB-3boeA:
undetectable		 3ucjB-3boeA:
22.58
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.
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)
 0.41A 3ucjB-3bohA:
undetectable		 3ucjB-3bohA:
21.34
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A  53
VAL A  54
HIS A 105
CYH A 115
GLY A 116
 CD  A1001 ( 2.4A)
None
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.8A)
 1.22A 3ucjB-3bohA:
undetectable		 3ucjB-3bohA:
21.34
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.
3cez METHIONINE-R-SULFOXI
DE REDUCTASE

(Burkholderia
pseudomallei) 		PF01641
(SelR) 		5 CYH A  55
VAL A  57
CYH A 104
GLY A 108
ALA A 109
 ZN  A 201 (-2.2A)
ZN  A 201 ( 4.8A)
ZN  A 201 (-2.3A)
None
ZN  A 201 ( 4.4A)
 1.23A 3ucjB-3cezA:
undetectable		 3ucjB-3cezA:
20.70
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.
3cez METHIONINE-R-SULFOXI
DE REDUCTASE

(Burkholderia
pseudomallei) 		PF01641
(SelR) 		5 CYH A  58
VAL A  57
CYH A 104
GLY A 108
ALA A 109
 ZN  A 201 (-2.3A)
ZN  A 201 ( 4.8A)
ZN  A 201 (-2.3A)
None
ZN  A 201 ( 4.4A)
 1.21A 3ucjB-3cezA:
undetectable		 3ucjB-3cezA:
20.70
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.
3cwq PARA FAMILY
CHROMOSOME
PARTITIONING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01656
(CbiA) 		5 ASP A  92
CYH A  91
GLY A  90
ALA A  88
ALA A  86
 None
 1.21A 3ucjB-3cwqA:
undetectable		 3ucjB-3cwqA:
21.34
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.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 427
GLY A 417
ALA A 418
ALA A  59
THR A 377
 None
 0.92A 3ucjB-3eyaA:
undetectable		 3ucjB-3eyaA:
19.78
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.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		6 CYH A  57
ASP A  59
VAL A  80
HIS A 112
CYH A 115
GLY A 116
 ZN  A   1 ( 2.3A)
ZN  A   1 ( 4.8A)
ACT  A 222 (-4.2A)
ZN  A   1 (-3.2A)
ZN  A   1 ( 2.2A)
ACT  A 222 (-3.2A)
 0.26A 3ucjB-3eyxA:
23.8		 3ucjB-3eyxA:
29.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		5 CYH A  57
VAL A  80
HIS A 112
CYH A 115
GLY A 117
 ZN  A   1 ( 2.3A)
ACT  A 222 (-4.2A)
ZN  A   1 (-3.2A)
ZN  A   1 ( 2.2A)
ACT  A 222 (-3.6A)
 0.99A 3ucjB-3eyxA:
23.8		 3ucjB-3eyxA:
29.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3feh CENTAURIN-ALPHA-1

(Homo sapiens) 		PF00169
(PH)
PF01412
(ArfGap) 		5 CYH A  44
ASP A  23
CYH A  21
GLY A  25
ALA A  26
 ZN  A 375 (-2.3A)
None
ZN  A 375 (-2.3A)
None
ZN  A 375 ( 4.7A)
 1.14A 3ucjB-3fehA:
undetectable		 3ucjB-3fehA:
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.
3fkq NTRC-LIKE TWO-DOMAIN
PROTEIN

([Eubacterium]
rectale) 		PF13614
(AAA_31) 		5 ASP A  51
VAL A   5
CYH A  70
GLY A  71
ALA A  73
 None
 1.18A 3ucjB-3fkqA:
undetectable		 3ucjB-3fkqA:
19.30
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.
3jvv TWITCHING MOBILITY
PROTEIN

(Pseudomonas
aeruginosa) 		PF00437
(T2SSE) 		5 ASP A  31
GLY A  14
ALA A  15
ALA A  11
THR A  98
 None
 1.02A 3ucjB-3jvvA:
undetectable		 3ucjB-3jvvA:
25.00
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.
3las PUTATIVE CARBONIC
ANHYDRASE

(Streptococcus
mutans) 		PF00484
(Pro_CA) 		6 CYH A  38
ASP A  40
HIS A  91
CYH A  94
GLY A  95
ALA A  96
 ZN  A 167 (-2.2A)
None
ZN  A 167 (-3.2A)
ZN  A 167 (-2.3A)
ZN  A 167 ( 4.8A)
None
 0.88A 3ucjB-3lasA:
14.6		 3ucjB-3lasA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 ASP A 112
VAL A 114
GLY A 110
ALA A 108
THR A 129
 None
 1.20A 3ucjB-3lftA:
3.6		 3ucjB-3lftA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvr ARF-GAP WITH SH3
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3,
ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens;
synthetic
construct) 		PF00025
(Arf)
PF01412
(ArfGap)
PF12796
(Ank_2) 		5 CYH E 464
ASP E 443
CYH E 441
GLY E 445
ALA E 446
 ZN  E 735 (-2.2A)
None
ZN  E 735 (-2.4A)
None
ZN  E 735 ( 4.4A)
 1.13A 3ucjB-3lvrE:
undetectable		 3ucjB-3lvrE:
18.86
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.
3m6m RPFF PROTEIN

(Xanthomonas
campestris) 		PF00378
(ECH_1) 		5 VAL A  73
HIS A 147
GLY A 120
ALA A 125
ALA A 123
 None
 1.01A 3ucjB-3m6mA:
undetectable		 3ucjB-3m6mA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 CYH A  42
ASP A  44
HIS A  98
GLY A 103
ALA A 107
 CO  A 230 (-2.2A)
CO  A 230 (-3.1A)
CO  A 230 (-2.9A)
None
None
 1.21A 3ucjB-3mf3A:
24.6		 3ucjB-3mf3A:
38.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 CYH A  42
HIS A  98
CYH A 101
GLY A 103
ALA A 107
 CO  A 230 (-2.2A)
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
None
 1.13A 3ucjB-3mf3A:
24.6		 3ucjB-3mf3A:
38.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
ALA A 107
 CO  A 230 (-2.2A)
None
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
 0.88A 3ucjB-3mf3A:
24.6		 3ucjB-3mf3A:
38.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		6 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
ALA A 106
 CO  A 230 (-2.2A)
None
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
None
 0.47A 3ucjB-3mf3A:
24.6		 3ucjB-3mf3A:
38.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1t ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 VAL A  26
GLY A 206
ALA A 208
ALA A 204
THR A  28
 None
 1.16A 3ucjB-3q1tA:
undetectable		 3ucjB-3q1tA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3teo CARBON DISULFIDE
HYDROLASE

(Acidianus sp.
A1-3) 		PF00484
(Pro_CA) 		5 CYH A  35
ASP A  37
HIS A  88
CYH A  91
GLY A  92
 CL  A 205 (-4.3A)
None
CL  A 205 (-4.6A)
CL  A 205 ( 4.7A)
None
 0.93A 3ucjB-3teoA:
13.5		 3ucjB-3teoA:
24.59
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.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		5 VAL A 251
GLY A 259
ALA A 261
ALA A 263
TRP A 166
 SO4  A 331 (-4.5A)
SO4  A 331 ( 4.1A)
SO4  A 331 (-3.8A)
None
None
 1.18A 3ucjB-3tt2A:
undetectable		 3ucjB-3tt2A:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ucn CARBONIC ANHYDRASE

(Coccomyxa sp.
PA) 		PF00484
(Pro_CA) 		10 CYH A  47
ASP A  49
VAL A  71
HIS A 103
CYH A 106
GLY A 107
ALA A 108
ALA A 111
TRP A 115
THR A 123
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
None
ZN  A 228 ( 3.3A)
ZN  A 228 ( 2.3A)
AZI  A 229 (-4.1A)
AZI  A 229 ( 4.6A)
None
None
None
 0.30A 3ucjB-3ucnA:
35.0		 3ucjB-3ucnA:
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.
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)
 0.41A 3ucjB-3uk8A:
undetectable		 3ucjB-3uk8A:
19.67
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 473
VAL A 474
HIS A 525
CYH A 535
GLY A 536
 CD  A 700 ( 2.4A)
None
CD  A 700 (-3.5A)
CD  A 700 (-2.4A)
ACT  A 800 (-3.7A)
 1.22A 3ucjB-3uk8A:
undetectable		 3ucjB-3uk8A:
19.67
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.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		5 CYH A  44
ASP A  46
HIS A  97
CYH A 100
ALA A 147
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
None
 1.11A 3ucjB-3vrkA:
14.2		 3ucjB-3vrkA:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		6 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
ALA A 104
 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)
None
 1.14A 3ucjB-3vrkA:
14.2		 3ucjB-3vrkA:
28.11
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
 0.32A 3ucjB-4o1jA:
25.9		 3ucjB-4o1jA:
33.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  45
ASP A  47
HIS A 101
CYH A 104
GLY A 106
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
ZN  A 301 (-2.3A)
None
 1.12A 3ucjB-4o1jA:
25.9		 3ucjB-4o1jA:
33.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  56
HIS A 112
CYH A 115
GLY A 116
ALA A 120
 ZN  A 301 (-2.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.2A)
None
None
 0.35A 3ucjB-4o1kA:
24.7		 3ucjB-4o1kA:
39.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  56
HIS A 112
CYH A 115
GLY A 117
ALA A 121
 ZN  A 301 (-2.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.2A)
None
None
 1.11A 3ucjB-4o1kA:
24.7		 3ucjB-4o1kA:
39.67
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.
4oln ANCSR1

(synthetic
construct) 		PF00105
(zf-C4) 		5 CYH A  10
ASP A  12
CYH A  24
GLY A  26
ALA A  29
 ZN  A 101 (-2.2A)
None
ZN  A 101 (-2.3A)
None
None
 1.21A 3ucjB-4olnA:
undetectable		 3ucjB-4olnA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rjk ACETOLACTATE
SYNTHASE

(Bacillus
subtilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 445
GLY A 435
ALA A 436
ALA A  70
THR A 395
 None
 1.01A 3ucjB-4rjkA:
undetectable		 3ucjB-4rjkA:
18.57
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.
4w2r ENHANCER OF ZESTE 2
POLYCOMB REPRESSIVE
COMPLEX 2 SUBUNIT

(Anolis
carolinensis) 		no annotation 5 CYH A 463
CYH A 485
GLY A 486
ALA A 487
TRP A 491
 ZN  A 704 ( 2.3A)
ZN  A 705 (-2.5A)
None
ZN  A 705 ( 4.3A)
None
 1.20A 3ucjB-4w2rA:
undetectable		 3ucjB-4w2rA:
15.42
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.
4y5z IMMUNOGLOBULIN
G-BINDING PROTEIN
A,COAT PROTEIN

(Sesbania mosaic
virus;
Staphylococcus
aureus) 		no annotation 5 VAL A 169
GLY A  87
ALA A 247
ALA A 246
THR A 135
 None
 1.18A 3ucjB-4y5zA:
undetectable		 3ucjB-4y5zA:
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.
5b5x LIMITING
CO2-INDUCIBLE
PROTEIN LCIC

(Chlamydomonas
reinhardtii) 		no annotation 6 CYH A 119
ASP A 121
HIS A 179
CYH A 203
GLY A 204
ALA A 205
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.2A)
ZN  A 500 (-2.5A)
None
None
 0.39A 3ucjB-5b5xA:
7.5		 3ucjB-5b5xA:
22.15
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 6 ASP A  48
HIS A 102
CYH A 126
GLY A 127
ALA A 129
ALA A 131
 ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
None
None
 1.31A 3ucjB-5b5zA:
12.3		 3ucjB-5b5zA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 5 CYH A  46
ASP A  48
HIS A 102
CYH A 126
ALA A 132
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
 1.01A 3ucjB-5b5zA:
12.3		 3ucjB-5b5zA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 6 CYH A  46
ASP A  48
HIS A 102
CYH A 126
GLY A 127
ALA A 131
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
None
 0.37A 3ucjB-5b5zA:
12.3		 3ucjB-5b5zA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		5 ASP A  44
HIS A  98
CYH A 101
GLY A 103
ALA A  67
 CO2  A 302 ( 4.6A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 (-3.7A)
CO2  A 302 ( 4.8A)
 1.19A 3ucjB-5bq1A:
27.3		 3ucjB-5bq1A:
39.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		6 CYH A  42
ASP A  44
HIS A  98
CYH A 101
GLY A 103
ALA A 106
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 (-3.7A)
None
 1.30A 3ucjB-5bq1A:
27.3		 3ucjB-5bq1A:
39.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		7 CYH A  42
ASP A  44
VAL A  66
HIS A  98
CYH A 101
GLY A 102
ALA A 106
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
CO2  A 302 (-4.0A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 ( 4.5A)
None
 0.26A 3ucjB-5bq1A:
27.3		 3ucjB-5bq1A:
39.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
ALA A 107
 ZN  A 301 (-2.1A)
None
ZN  A 301 (-3.2A)
ZN  A 301 (-2.0A)
None
 1.06A 3ucjB-5cxkA:
26.2		 3ucjB-5cxkA:
38.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		6 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
ALA A 106
 ZN  A 301 (-2.1A)
None
ZN  A 301 (-3.2A)
ZN  A 301 (-2.0A)
None
None
 0.37A 3ucjB-5cxkA:
26.2		 3ucjB-5cxkA:
38.26
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 VAL A  80
GLY A  96
ALA A  97
ALA A 100
THR A  74
 None
 0.90A 3ucjB-5d6nA:
undetectable		 3ucjB-5d6nA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 VAL A  52
GLY A  45
ALA A  48
ALA A  27
THR A  79
 None
 1.18A 3ucjB-5ey7A:
undetectable		 3ucjB-5ey7A:
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 VAL A  80
GLY A  96
ALA A  97
ALA A 100
THR A  74
 None
 0.95A 3ucjB-5ey8A:
undetectable		 3ucjB-5ey8A:
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.
5k5w LIMITING
CO2-INDUCIBLE
PROTEIN LCIB

(Chlamydomonas
reinhardtii) 		no annotation 7 CYH A 120
ASP A 122
HIS A 180
CYH A 204
GLY A 205
ALA A 206
ALA A 209
 ZN  A 500 (-2.3A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
None
None
 0.47A 3ucjB-5k5wA:
13.3		 3ucjB-5k5wA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oqp CONDENSIN COMPLEX
SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 5 CYH A 750
CYH A 711
GLY A 709
ALA A 707
ALA A 706
 None
 1.16A 3ucjB-5oqpA:
undetectable		 3ucjB-5oqpA:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swc CARBONIC ANHYDRASE

(Synechocystis
sp. PCC 6803) 		PF00484
(Pro_CA) 		6 CYH A  39
ASP A  41
HIS A  98
CYH A 101
GLY A 102
ALA A 103
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.3A)
None
None
 0.33A 3ucjB-5swcA:
22.7		 3ucjB-5swcA:
28.29
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 CYH A  10
VAL A   8
ALA A  24
ALA A  27
THR A 429
 None
 1.22A 3ucjB-5xmjA:
undetectable		 3ucjB-5xmjA:
16.81
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.
5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Clostridium
beijerinckii) 		PF13407
(Peripla_BP_4) 		5 CYH X 203
ASP X 208
GLY X 211
ALA X 212
ALA X 215
 None
 1.12A 3ucjB-5xsjX:
3.3		 3ucjB-5xsjX:
22.00
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.
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)
 0.42A 3ucjB-5ztpA:
14.4		 3ucjB-5ztpA:
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 5 VAL X  75
CYH X  69
GLY X  70
ALA X  71
ALA X  66
 None
SF4  X 701 (-2.2A)
None
SF4  X 701 ( 4.2A)
None
 1.17A 3ucjB-6elqX:
undetectable		 3ucjB-6elqX:
16.36