SIMILAR PATTERNS OF AMINO ACIDS FOR 4YHA_B_MZMB303_1

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.
1ff9 SACCHAROPINE
REDUCTASE

(Magnaporthe
grisea) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 ASP A  63
HIS A  69
VAL A  66
LEU A   9
ALA A  32
 None
 1.50A 4yhaB-1ff9A:
undetectable		 4yhaB-1ff9A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ASP A 154
VAL A 155
LEU A  40
THR A  37
ALA A  36
 None
 1.44A 4yhaB-1fuiA:
undetectable		 4yhaB-1fuiA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 ASP A 716
VAL A 714
LEU A 710
THR A 735
ALA A 734
 None
 1.35A 4yhaB-1h7wA:
undetectable		 4yhaB-1h7wA:
12.41
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
 0.46A 4yhaB-1jd0A:
25.0		 4yhaB-1jd0A:
29.09
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 VAL A 546
VAL A 544
LEU A 608
THR A 605
ALA A 604
 None
 1.48A 4yhaB-1k25A:
undetectable		 4yhaB-1k25A:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A  32
HIS A   3
HIS A 373
VAL A 279
ALA A  14
 None
 0.90A 4yhaB-1ko0A:
undetectable		 4yhaB-1ko0A:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		7 HIS A  92
HIS A  94
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
 0.52A 4yhaB-1kopA:
29.7		 4yhaB-1kopA:
35.98
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.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		5 ASP A 101
HIS A 112
VAL A  97
LEU A 122
ALA A 125
 None
 1.20A 4yhaB-1n4oA:
undetectable		 4yhaB-1n4oA:
19.93
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 0.57A 4yhaB-1rj6A:
25.0		 4yhaB-1rj6A:
28.83
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.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		5 ASP A  87
VAL A  88
LEU A 309
THR A 310
ALA A 308
 None
 1.11A 4yhaB-1urdA:
undetectable		 4yhaB-1urdA:
22.34
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
ZN  A 280 ( 4.9A)
 0.52A 4yhaB-1urtA:
22.0		 4yhaB-1urtA:
26.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6c ALKALINE SERINE
PROTEASE

(Pseudoalteromonas
sp. AS-11) 		PF00082
(Peptidase_S8)
PF02225
(PA) 		5 ASP A 218
VAL A 231
VAL A 336
LEU A 344
ALA A 343
 None
 1.24A 4yhaB-1v6cA:
undetectable		 4yhaB-1v6cA:
18.62
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		7 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.49A 4yhaB-1y7wA:
22.8		 4yhaB-1y7wA:
23.43
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.
1z47 PUTATIVE
ABC-TRANSPORTER
ATP-BINDING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		5 ASP A 288
VAL A 284
VAL A 282
LEU A 268
ALA A 266
 None
 1.22A 4yhaB-1z47A:
undetectable		 4yhaB-1z47A:
20.57
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.
1zi7 KES1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		5 ASP A 366
HIS A 418
HIS A 184
LEU A 385
ALA A 388
 None
 1.17A 4yhaB-1zi7A:
undetectable		 4yhaB-1zi7A:
20.55
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.
2eez ALANINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ASN A 298
VAL A  72
LEU A 311
THR A 312
ALA A 310
 None
 1.41A 4yhaB-2eezA:
undetectable		 4yhaB-2eezA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f7v AECTYLCITRULLINE
DEACETYLASE

(Xanthomonas
campestris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A 103
VAL A 346
LEU A  12
THR A   8
ALA A 109
 CO  A5367 (-2.2A)
None
None
None
None
 1.18A 4yhaB-2f7vA:
undetectable		 4yhaB-2f7vA:
19.43
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 ASP A 947
VAL A 948
VAL A 875
LEU A 890
ALA A 889
 None
 1.30A 4yhaB-2gahA:
undetectable		 4yhaB-2gahA:
11.81
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.
2hxo PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 ASP A  68
VAL A 123
LEU A 107
THR A 101
ALA A 100
 None
 1.50A 4yhaB-2hxoA:
undetectable		 4yhaB-2hxoA:
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A  24
ASN A 185
VAL A 149
LEU A  18
ALA A  14
 None
 1.36A 4yhaB-2ihtA:
undetectable		 4yhaB-2ihtA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  94
HIS A  96
HIS A 119
VAL A 143
LEU A 198
THR A 199
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
 0.49A 4yhaB-2it4A:
24.7		 4yhaB-2it4A:
29.39
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		5 HIS A  58
VAL A  60
VAL A  16
LEU A  49
ALA A 335
 None
 1.43A 4yhaB-2iuyA:
undetectable		 4yhaB-2iuyA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpv UNCHARACTERIZED
PROTEIN ATU1531

(Agrobacterium
fabrum) 		no annotation 5 ASN A  85
VAL A  75
VAL A  60
LEU A  37
ALA A  34
 None
 1.46A 4yhaB-2qpvA:
undetectable		 4yhaB-2qpvA:
18.22
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.
2qsi PUTATIVE HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HUPG

(Rhodopseudomonas
palustris) 		PF07449
(HyaE) 		5 ASP A  24
VAL A  23
VAL A  18
LEU A  36
ALA A  92
 None
 1.46A 4yhaB-2qsiA:
undetectable		 4yhaB-2qsiA:
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.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		5 HIS A 182
VAL A 155
LEU A  81
THR A 174
ALA A 175
 None
None
None
None
CL  A 336 ( 4.3A)
 1.48A 4yhaB-2quyA:
undetectable		 4yhaB-2quyA:
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.
2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
graminearum) 		PF02458
(Transferase) 		5 ASN A 189
VAL A  53
VAL A  56
LEU A 170
ALA A 166
 None
 1.47A 4yhaB-2rkvA:
undetectable		 4yhaB-2rkvA:
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.
2xqy ENVELOPE
GLYCOPROTEIN H

(Suid
alphaherpesvirus
1) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 VAL A 258
VAL A 259
LEU A 420
THR A 416
ALA A 419
 None
 1.30A 4yhaB-2xqyA:
undetectable		 4yhaB-2xqyA:
19.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
None
ZN  A   1 ( 4.7A)
 0.56A 4yhaB-2zncA:
23.9		 4yhaB-2zncA:
31.79
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 ASP A 366
HIS A 270
VAL A 367
LEU A  65
ALA A  64
 None
ZN  A1001 (-4.8A)
None
None
None
 1.35A 4yhaB-3a52A:
undetectable		 4yhaB-3a52A:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
None
ZN  A 378 ( 4.5A)
 0.50A 4yhaB-3b1bA:
24.3		 4yhaB-3b1bA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		5 ASP A 261
HIS A 111
HIS A 110
VAL A 159
THR A 354
 None
None
EDO  A 494 (-4.0A)
None
None
 1.49A 4yhaB-3b9tA:
undetectable		 4yhaB-3b9tA:
19.05
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.
3d2z N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMID

(Escherichia
coli) 		PF01510
(Amidase_2) 		5 HIS A 151
VAL A 149
VAL A  33
LEU A  96
ALA A  89
 ZN  A 262 ( 3.0A)
None
None
None
None
 1.33A 4yhaB-3d2zA:
undetectable		 4yhaB-3d2zA:
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.
3d7j UNCHARACTERIZED
PROTEIN SCO6650

(Streptomyces
coelicolor) 		PF01242
(PTPS) 		5 ASP A  51
VAL A  50
VAL A  49
THR A  37
ALA A  36
 None
 1.26A 4yhaB-3d7jA:
undetectable		 4yhaB-3d7jA:
18.41
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.
3d9w PUTATIVE
ACETYLTRANSFERASE

(Nocardia
farcinica) 		PF00797
(Acetyltransf_2) 		5 HIS A  45
VAL A  42
VAL A 137
LEU A  93
ALA A  92
 None
 1.23A 4yhaB-3d9wA:
undetectable		 4yhaB-3d9wA:
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  68
HIS A  95
HIS A  97
HIS A 120
LEU A 199
THR A 200
 None
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 1.33A 4yhaB-3da2A:
25.7		 4yhaB-3da2A:
28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 ASN A  68
HIS A  97
VAL A 122
LEU A 199
THR A 200
 None
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 0.90A 4yhaB-3da2A:
25.7		 4yhaB-3da2A:
28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  95
HIS A  97
HIS A 120
VAL A 122
VAL A 144
LEU A 199
THR A 200
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 0.55A 4yhaB-3da2A:
25.7		 4yhaB-3da2A:
28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 ASP A 307
HIS A 302
VAL A 306
VAL A 327
ALA A 405
 None
 0.95A 4yhaB-3eqaA:
undetectable		 4yhaB-3eqaA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A 111
HIS A 113
HIS A 138
VAL A 140
VAL A 161
LEU A 219
THR A 220
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.77A 4yhaB-3fe4A:
22.0		 4yhaB-3fe4A:
28.22
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.
3l51 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
2

(Mus musculus) 		PF06470
(SMC_hinge) 		5 VAL A 650
VAL A 629
LEU A 541
THR A 537
ALA A 538
 None
 1.34A 4yhaB-3l51A:
undetectable		 4yhaB-3l51A:
17.57
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.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		5 HIS A 228
VAL A 229
VAL A 180
LEU A 174
ALA A 213
 SO4  A 402 (-3.7A)
SO4  A 402 (-3.9A)
None
None
None
 1.45A 4yhaB-3l6nA:
undetectable		 4yhaB-3l6nA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6u ABC-TYPE SUGAR
TRANSPORT SYSTEM
PERIPLASMIC
COMPONENT

(Exiguobacterium
sibiricum) 		PF13407
(Peripla_BP_4) 		5 ASP A 171
VAL A 139
VAL A 199
LEU A 214
ALA A 213
 None
 1.12A 4yhaB-3l6uA:
undetectable		 4yhaB-3l6uA:
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.
3mc9 ALR2269 PROTEIN

(Nostoc sp. PCC
7120) 		PF07244
(POTRA)
PF08479
(POTRA_2) 		5 ASP A 282
VAL A 287
VAL A 223
LEU A 260
ALA A 278
 None
 1.41A 4yhaB-3mc9A:
undetectable		 4yhaB-3mc9A:
19.63
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
 0.47A 4yhaB-3ml5A:
25.3		 4yhaB-3ml5A:
28.67
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
 1.10A 4yhaB-3ml5A:
25.3		 4yhaB-3ml5A:
28.67
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.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF01053
(Cys_Met_Meta_PP) 		5 ASP A 354
HIS A 275
VAL A 389
LEU A 397
THR A 394
 None
 1.28A 4yhaB-3ndnA:
undetectable		 4yhaB-3ndnA:
20.05
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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		5 ASP A 219
ASN A 355
HIS A 367
VAL A 217
VAL A 289
 None
 1.08A 4yhaB-3oqqA:
undetectable		 4yhaB-3oqqA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 HIS A 123
HIS A 125
HIS A 142
VAL A 144
LEU A 214
THR A 215
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
 1.27A 4yhaB-3q31A:
25.3		 4yhaB-3q31A:
29.17
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		7 HIS A 123
HIS A 125
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
 0.62A 4yhaB-3q31A:
25.3		 4yhaB-3q31A:
29.17
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.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 ASP A 347
VAL A 324
VAL A 285
LEU A 403
ALA A 402
 None
 1.42A 4yhaB-3qfhA:
undetectable		 4yhaB-3qfhA:
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASP A 177
HIS A  85
LEU A  52
THR A  89
ALA A  49
 MG  A1001 ( 2.9A)
TPP  A1002 (-4.0A)
None
None
None
 1.24A 4yhaB-3rimA:
undetectable		 4yhaB-3rimA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rkd CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		5 HIS A 577
VAL A 579
VAL A 571
LEU A 500
ALA A 509
 None
 1.40A 4yhaB-3rkdA:
undetectable		 4yhaB-3rkdA:
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 305
VAL A 309
LEU A 181
THR A 178
ALA A 180
 ASP  A 305 ( 0.5A)
VAL  A 309 ( 0.6A)
LEU  A 181 ( 0.6A)
THR  A 178 ( 0.8A)
ALA  A 180 ( 0.0A)
 1.37A 4yhaB-3sl5A:
undetectable		 4yhaB-3sl5A:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 142
THR A 198
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
 0.57A 4yhaB-3uyqA:
25.6		 4yhaB-3uyqA:
30.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ASN A2390
HIS A2304
VAL A2391
LEU A2336
THR A2335
 None
 1.19A 4yhaB-3vkgA:
undetectable		 4yhaB-3vkgA:
5.81
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ASN A1253
VAL A1278
VAL A1367
LEU A1229
THR A1232
 None
 1.06A 4yhaB-4aygA:
undetectable		 4yhaB-4aygA:
13.49
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.
4bwy P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		5 ASN A 314
VAL A 150
VAL A 176
LEU A 200
ALA A 199
 None
 1.31A 4yhaB-4bwyA:
undetectable		 4yhaB-4bwyA:
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.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		5 HIS B  58
VAL B 352
LEU B  98
THR B  97
ALA B 160
 None
 1.06A 4yhaB-4ci2B:
undetectable		 4yhaB-4ci2B:
19.51
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.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 5 ASN A 539
VAL A 541
VAL A 465
LEU A 365
ALA A 361
 None
 1.19A 4yhaB-4cmrA:
undetectable		 4yhaB-4cmrA:
16.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		7 HIS A  89
HIS A  91
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
 0.47A 4yhaB-4g7aA:
29.2		 4yhaB-4g7aA:
38.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 ASN A 104
HIS A  75
LEU A 204
THR A 206
ALA A 205
 None
 1.36A 4yhaB-4gr5A:
undetectable		 4yhaB-4gr5A:
17.19
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.
4mi2 PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 ASP A 127
VAL A 107
VAL A  56
LEU A  44
ALA A  99
 None
 1.42A 4yhaB-4mi2A:
undetectable		 4yhaB-4mi2A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP A 420
HIS A 438
VAL A 440
VAL A 343
LEU A 469
 None
 1.28A 4yhaB-4qiwA:
undetectable		 4yhaB-4qiwA:
14.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 ASN A  67
HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
 1.15A 4yhaB-4qk3A:
25.8		 4yhaB-4qk3A:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
 0.48A 4yhaB-4qk3A:
25.8		 4yhaB-4qk3A:
30.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ASP A  90
VAL A  91
VAL A 116
LEU A 300
ALA A 258
 None
 1.31A 4yhaB-4qorA:
undetectable		 4yhaB-4qorA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 HIS A  97
VAL A 116
VAL A 126
THR A 183
ALA A 184
 ASC  A 303 (-4.4A)
ASC  A 303 (-4.2A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-3.4A)
ASC  A 303 (-3.0A)
 0.58A 4yhaB-4twlA:
27.6		 4yhaB-4twlA:
29.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		7 HIS A 112
HIS A 114
HIS A 131
VAL A 133
VAL A 143
LEU A 197
THR A 198
 ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
 0.50A 4yhaB-4uovA:
29.6		 4yhaB-4uovA:
36.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		7 HIS A  89
HIS A  91
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
 0.48A 4yhaB-4x5sA:
29.3		 4yhaB-4x5sA:
37.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 HIS A  91
HIS A 108
VAL A 110
LEU A 173
THR A 174
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
 1.16A 4yhaB-4x5sA:
29.3		 4yhaB-4x5sA:
37.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		10 ASP A 107
ASN A 108
HIS A 110
HIS A 112
HIS A 129
VAL A 131
VAL A 141
LEU A 190
THR A 191
ALA A 192
 None
None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
None
None
ZN  A 301 (-4.3A)
None
 0.51A 4yhaB-4xfwA:
36.8		 4yhaB-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 HIS A 112
HIS A 129
VAL A 131
LEU A 190
THR A 191
ALA A 192
 ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
None
ZN  A 301 (-4.3A)
None
 1.14A 4yhaB-4xfwA:
36.8		 4yhaB-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 HIS A 160
HIS A 162
HIS A 179
VAL A 181
LEU A 253
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
None
2HP  A 402 (-3.4A)
 1.18A 4yhaB-4xixA:
25.0		 4yhaB-4xixA:
32.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 HIS A 160
HIS A 162
HIS A 179
VAL A 181
VAL A 192
LEU A 253
THR A 254
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
 0.47A 4yhaB-4xixA:
25.0		 4yhaB-4xixA:
32.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		7 HIS A 165
HIS A 167
HIS A 184
VAL A 186
VAL A 196
LEU A 251
THR A 252
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
 0.51A 4yhaB-4xz5A:
28.7		 4yhaB-4xz5A:
35.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
 0.47A 4yhaB-5cjfA:
24.9		 4yhaB-5cjfA:
28.37
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.
5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT

(Homo sapiens) 		PF12851
(Tet_JBP) 		5 HIS A1416
HIS A1881
VAL A1395
VAL A1900
ALA A1379
 OGA  A2001 (-3.9A)
FE  A2003 ( 3.2A)
OGA  A2001 ( 4.9A)
OGA  A2001 ( 4.9A)
OGA  A2001 ( 4.4A)
 1.36A 4yhaB-5deuA:
undetectable		 4yhaB-5deuA:
18.87
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		6 ASN X  66
HIS X  93
HIS X  95
HIS X 118
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
ZN  X 301 ( 4.4A)
 0.94A 4yhaB-5eztX:
25.4		 4yhaB-5eztX:
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		7 HIS X  93
HIS X  95
HIS X 118
VAL X 120
VAL X 141
LEU X 196
THR X 197
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
None
None
ZN  X 301 ( 4.4A)
 0.50A 4yhaB-5eztX:
25.4		 4yhaB-5eztX:
28.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		7 HIS A  96
HIS A  98
HIS A 115
VAL A 117
VAL A 127
LEU A 181
THR A 182
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
 0.57A 4yhaB-5hpjA:
27.7		 4yhaB-5hpjA:
36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		5 HIS A  98
HIS A 115
VAL A 117
LEU A 181
THR A 182
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
 1.13A 4yhaB-5hpjA:
27.7		 4yhaB-5hpjA:
36.13
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP A 440
HIS A 458
VAL A 460
VAL A 364
LEU A 489
 None
 1.32A 4yhaB-5ip9A:
undetectable		 4yhaB-5ip9A:
8.43
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 ASP A  33
VAL A  39
LEU A 202
THR A 174
ALA A 203
 None
 1.39A 4yhaB-5j44A:
undetectable		 4yhaB-5j44A:
12.44
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
 0.53A 4yhaB-5jn9A:
23.9		 4yhaB-5jn9A:
28.26
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B

(Methanothermococcus
thermolithotrophicus) 		PF02754
(CCG) 		5 ASP B 285
HIS B 280
HIS B 235
VAL B 284
LEU B 275
 None
 1.46A 4yhaB-5odrB:
undetectable		 4yhaB-5odrB:
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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 ASP A  60
ASN A  64
VAL A  62
LEU A  35
ALA A  34
 None
 1.48A 4yhaB-5tp4A:
undetectable		 4yhaB-5tp4A:
18.87
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.
5uba RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00849
(PseudoU_synth_2) 		5 ASP A 129
VAL A 130
LEU A  95
THR A  96
ALA A  94
 None
 1.22A 4yhaB-5ubaA:
undetectable		 4yhaB-5ubaA:
19.73
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		5 ASP A 367
HIS A 320
HIS A 271
HIS A 492
ALA A 556
 None
CA  A 703 (-3.3A)
CA  A 703 (-3.2A)
DJN  A 702 (-3.5A)
DJN  A 702 ( 4.0A)
 1.30A 4yhaB-5wzrA:
undetectable		 4yhaB-5wzrA:
14.79
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.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 5 ASP A  82
HIS A  72
VAL A  80
LEU A 100
ALA A 104
 None
HEM  A 502 (-4.1A)
None
None
None
 1.04A 4yhaB-5ze8A:
undetectable		 4yhaB-5ze8A:
20.25
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.
6cfw MBH13 NADH
DEHYDROGENASE
SUBUNIT

(Pyrococcus
furiosus) 		no annotation 5 ASP M  99
VAL M 102
LEU M  82
THR M  78
ALA M  81
 None
 1.25A 4yhaB-6cfwM:
undetectable		 4yhaB-6cfwM:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ckp THIOREDOXIN

(Brucella
melitensis) 		no annotation 5 ASP A  14
ASN A  10
VAL A   6
VAL A  57
LEU A  65
 None
 1.38A 4yhaB-6ckpA:
undetectable		 4yhaB-6ckpA:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e9p -

(-) 		no annotation 5 ASP A 118
VAL A 117
VAL A 112
LEU A 132
THR A 134
 None
 1.25A 4yhaB-6e9pA:
undetectable		 4yhaB-6e9pA:
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 7 HIS A 117
HIS A 119
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 (-4.4A)
 0.46A 4yhaB-6ekiA:
29.6		 4yhaB-6ekiA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 HIS A 119
HIS A 136
VAL A 138
LEU A 201
THR A 202
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 (-4.4A)
 1.09A 4yhaB-6ekiA:
29.6		 4yhaB-6ekiA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ASP A   2
HIS A  17
HIS A  53
VAL A  57
LEU A  10
 None
None
GOL  A 503 (-3.9A)
None
None
 1.44A 4yhaB-6enoA:
undetectable		 4yhaB-6enoA:
20.51
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 7 HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
 0.54A 4yhaB-6fe1A:
24.1		 4yhaB-6fe1A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 5 ASP A 319
HIS A 314
VAL A 318
VAL A 339
ALA A 417
 None
 0.99A 4yhaB-6fhvA:
undetectable		 4yhaB-6fhvA:
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 ASP A 307
HIS A 302
VAL A 306
VAL A 327
ALA A 405
 None
 1.02A 4yhaB-6frvA:
undetectable		 4yhaB-6frvA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 5 HIS A 490
VAL A 493
VAL A 489
LEU A 638
ALA A 637
 FE  A1004 ( 2.4A)
None
None
HEM  A1002 ( 4.2A)
HEM  A1001 (-3.8A)
 1.46A 4yhaB-6fwfA:
undetectable		 4yhaB-6fwfA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gne -

(-) 		no annotation 5 HIS A  59
VAL A  61
VAL A  27
LEU A  50
ALA A 502
 None
 1.26A 4yhaB-6gneA:
undetectable		 4yhaB-6gneA:
undetectable