SIMILAR PATTERNS OF AMINO ACIDS FOR 2F16_Y_BO2Y1403_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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		5 THR A  60
ALA A  61
ALA A 166
VAL A 158
ALA A 114
 None
 1.01A 2f16Y-1b65A:
undetectable
2f16Z-1b65A:
undetectable		 2f16Y-1b65A:
22.54
2f16Z-1b65A:
18.51
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.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 ALA A  37
THR A  36
ALA A  35
ALA A  13
GLY A  55
 None
 0.92A 2f16Y-1e6wA:
undetectable
2f16Z-1e6wA:
undetectable		 2f16Y-1e6wA:
24.25
2f16Z-1e6wA:
21.69
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.
1iiu PLASMA
RETINOL-BINDING
PROTEIN

(Gallus gallus) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 RTL  A 176 ( 3.8A)
None
RTL  A 176 ( 3.8A)
RTL  A 176 ( 4.1A)
None
 0.87A 2f16Y-1iiuA:
undetectable
2f16Z-1iiuA:
undetectable		 2f16Y-1iiuA:
18.47
2f16Z-1iiuA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.28A 2f16Y-1j2qH:
16.7
2f16Z-1j2qH:
24.6		 2f16Y-1j2qH:
30.37
2f16Z-1j2qH:
26.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jhd SULFATE
ADENYLYLTRANSFERASE

(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ALA A  44
ALA A  40
VAL A 163
GLY A 266
ASP A 103
 None
 0.97A 2f16Y-1jhdA:
undetectable
2f16Z-1jhdA:
undetectable		 2f16Y-1jhdA:
20.41
2f16Z-1jhdA:
19.45
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 THR A  92
ALA A  90
ALA A  94
GLY A 573
ALA A 569
 None
None
None
None
UNX  A 802 ( 4.6A)
 1.05A 2f16Y-1jqkA:
undetectable
2f16Z-1jqkA:
undetectable		 2f16Y-1jqkA:
14.75
2f16Z-1jqkA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kj9 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE 2

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 ALA A 369
THR A 370
ALA A 371
ALA A 377
GLY A 345
 None
 0.94A 2f16Y-1kj9A:
undetectable
2f16Z-1kj9A:
undetectable		 2f16Y-1kj9A:
20.71
2f16Z-1kj9A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		6 ALA A 177
ALA A 171
ALA A  94
VAL A 202
GLY A 151
ASP A  97
 None
 1.32A 2f16Y-1odiA:
undetectable
2f16Z-1odiA:
undetectable		 2f16Y-1odiA:
26.12
2f16Z-1odiA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		6 ALA A  54
THR A  53
ALA A 101
ALA A  55
GLY A 208
ALA A 226
 None
 1.29A 2f16Y-1pq5A:
undetectable
2f16Z-1pq5A:
undetectable		 2f16Y-1pq5A:
22.40
2f16Z-1pq5A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		8 THR H   1
ALA H  20
THR H  21
ALA H  27
VAL H  31
LYS H  33
GLY H  47
ALA H  49
 None
 0.40A 2f16Y-1q5qH:
14.8
2f16Z-1q5qH:
22.5		 2f16Y-1q5qH:
27.92
2f16Z-1q5qH:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 ALA H  20
THR H  21
ALA H  27
VAL H  31
GLY H  47
ALA H  49
 None
 0.47A 2f16Y-1q5rH:
13.4
2f16Z-1q5rH:
22.3		 2f16Y-1q5rH:
27.59
2f16Z-1q5rH:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		6 ALA A  21
THR A  24
ALA A  23
ALA A  20
VAL A  33
GLY A 172
 None
 1.37A 2f16Y-1qlbA:
undetectable
2f16Z-1qlbA:
undetectable		 2f16Y-1qlbA:
15.90
2f16Z-1qlbA:
16.49
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		5 THR A 216
THR A 109
ALA A  32
ALA A 108
ALA A  39
 None
 1.01A 2f16Y-1ru3A:
undetectable
2f16Z-1ru3A:
undetectable		 2f16Y-1ru3A:
16.12
2f16Z-1ru3A:
15.64
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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		5 ALA A 113
ALA A 115
ALA A 112
VAL A 107
ALA A 141
 None
 1.04A 2f16Y-1t47A:
undetectable
2f16Z-1t47A:
undetectable		 2f16Y-1t47A:
22.08
2f16Z-1t47A:
22.40
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 168
THR A 169
ALA A 170
ALA A 241
GLY A 148
 None
 0.92A 2f16Y-1ulvA:
undetectable
2f16Z-1ulvA:
undetectable		 2f16Y-1ulvA:
11.95
2f16Z-1ulvA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 ALA A  98
THR A  99
ALA A 100
ALA A 139
ALA A 132
 None
SAM  A 400 (-3.2A)
None
None
None
 0.94A 2f16Y-1v2xA:
undetectable
2f16Z-1v2xA:
undetectable		 2f16Y-1v2xA:
22.75
2f16Z-1v2xA:
20.17
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.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A 187
THR A 188
ALA A 189
VAL A 250
GLY A 181
 None
None
None
None
PLP  A 413 (-3.2A)
 1.01A 2f16Y-1ve5A:
undetectable
2f16Z-1ve5A:
undetectable		 2f16Y-1ve5A:
21.09
2f16Z-1ve5A:
23.05
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.
1wde PROBABLE DIPHTHINE
SYNTHASE

(Aeropyrum
pernix) 		PF00590
(TP_methylase) 		5 ALA A 204
ALA A 206
ALA A 199
VAL A 289
LYS A 287
 None
 1.06A 2f16Y-1wdeA:
undetectable
2f16Z-1wdeA:
undetectable		 2f16Y-1wdeA:
22.41
2f16Z-1wdeA:
23.41
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 THR A 278
ALA A 157
ALA A 159
ALA A  58
GLY A  77
 None
 1.02A 2f16Y-1x9eA:
undetectable
2f16Z-1x9eA:
undetectable		 2f16Y-1x9eA:
21.52
2f16Z-1x9eA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 284
THR A 285
ALA A 329
ALA A 325
GLY A 257
 None
 1.04A 2f16Y-1zfjA:
undetectable
2f16Z-1zfjA:
undetectable		 2f16Y-1zfjA:
19.71
2f16Z-1zfjA:
17.41
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.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		5 THR A  53
ALA A  54
ALA A 157
VAL A 149
ALA A 107
 None
 1.03A 2f16Y-2drhA:
undetectable
2f16Z-2drhA:
undetectable		 2f16Y-2drhA:
21.64
2f16Z-2drhA:
22.38
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.
2e2n HEXOKINASE

(Sulfurisphaera
tokodaii) 		PF01869
(BcrAD_BadFG) 		5 ALA A  55
ALA A  51
ALA A  16
GLY A  58
ALA A  60
 None
 0.97A 2f16Y-2e2nA:
undetectable
2f16Z-2e2nA:
undetectable		 2f16Y-2e2nA:
21.61
2f16Z-2e2nA:
23.03
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.
2eey MOLYBDOPTERIN
BIOSYNTHESIS

(Geobacillus
kaustophilus) 		PF01967
(MoaC) 		5 ALA A 103
THR A 104
ALA A  28
ALA A  30
ALA A  66
 None
 1.06A 2f16Y-2eeyA:
undetectable
2f16Z-2eeyA:
undetectable		 2f16Y-2eeyA:
21.17
2f16Z-2eeyA:
21.46
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 THR A 297
ALA A 294
ALA A 187
VAL A 102
GLY A 288
 None
 0.96A 2f16Y-2elcA:
undetectable
2f16Z-2elcA:
undetectable		 2f16Y-2elcA:
20.12
2f16Z-2elcA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 6 THR H 301
THR H 321
VAL H 331
LYS H 333
GLY H 347
ALA H 349
 None
 0.51A 2f16Y-2fhgH:
19.2
2f16Z-2fhgH:
22.3		 2f16Y-2fhgH:
28.11
2f16Z-2fhgH:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ifw SCYTALIDOPEPSIN B

(Scytalidium
lignicola) 		PF01828
(Peptidase_A4) 		6 ALA A  23
THR A  22
ALA A  21
VAL A 160
GLY A  55
ALA A  38
 None
 1.39A 2f16Y-2ifwA:
undetectable
2f16Z-2ifwA:
undetectable		 2f16Y-2ifwA:
20.76
2f16Z-2ifwA:
20.69
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.
2iih MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
C

(Thermus
thermophilus) 		PF01967
(MoaC) 		5 ALA A  99
THR A 100
ALA A  26
ALA A  28
ALA A  64
 None
 1.05A 2f16Y-2iihA:
undetectable
2f16Z-2iihA:
undetectable		 2f16Y-2iihA:
23.08
2f16Z-2iihA:
19.27
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 ALA A 110
THR A 109
ALA A 106
VAL A 188
GLY A 130
 None
 1.03A 2f16Y-2incA:
undetectable
2f16Z-2incA:
undetectable		 2f16Y-2incA:
16.67
2f16Z-2incA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		5 ALA A 202
THR A 201
ALA A 199
VAL A 155
GLY A 207
 None
 1.05A 2f16Y-2nyfA:
undetectable
2f16Z-2nyfA:
undetectable		 2f16Y-2nyfA:
16.02
2f16Z-2nyfA:
16.00
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.
2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF02542
(YgbB) 		5 ALA A 152
THR A 151
ALA A 150
ALA A  97
VAL A 154
 None
 0.85A 2f16Y-2uzhA:
undetectable
2f16Z-2uzhA:
undetectable		 2f16Y-2uzhA:
21.36
2f16Z-2uzhA:
24.00
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.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 OLA  A1179 ( 3.7A)
None
OLA  A1179 (-3.5A)
OLA  A1179 ( 4.0A)
None
 0.85A 2f16Y-2wq9A:
undetectable
2f16Z-2wq9A:
undetectable		 2f16Y-2wq9A:
20.64
2f16Z-2wq9A:
20.83
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 THR A 183
ALA A 203
ALA A   9
GLY A 186
ALA A 193
 None
 0.99A 2f16Y-2wqdA:
undetectable
2f16Z-2wqdA:
undetectable		 2f16Y-2wqdA:
16.84
2f16Z-2wqdA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wu0 PHYTASE

(Klebsiella
pneumoniae) 		PF00328
(His_Phos_2) 		5 ALA A 105
THR A 104
ALA A 103
VAL A  93
GLY A 111
 None
 0.91A 2f16Y-2wu0A:
undetectable
2f16Z-2wu0A:
undetectable		 2f16Y-2wu0A:
19.67
2f16Z-2wu0A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzr PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Methanocaldococcus
jannaschii) 		PF01680
(SOR_SNZ)
PF05690
(ThiG) 		5 THR A 291
ALA A 290
ALA A 257
VAL A 270
GLY A  37
 None
 1.00A 2f16Y-2yzrA:
undetectable
2f16Z-2yzrA:
undetectable		 2f16Y-2yzrA:
20.73
2f16Z-2yzrA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		5 ALA A 239
THR A 240
ALA A 241
GLY A 180
ALA A 208
 None
 0.98A 2f16Y-2zu0A:
undetectable
2f16Z-2zu0A:
undetectable		 2f16Y-2zu0A:
18.56
2f16Z-2zu0A:
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 5 THR A 537
ALA A 536
ALA A 530
VAL A 552
GLY A 492
 None
 0.91A 2f16Y-2zuxA:
undetectable
2f16Z-2zuxA:
undetectable		 2f16Y-2zuxA:
16.64
2f16Z-2zuxA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		5 ALA A 117
THR A 118
ALA A 119
GLY A  84
ALA A  86
 None
 0.99A 2f16Y-3aarA:
undetectable
2f16Z-3aarA:
undetectable		 2f16Y-3aarA:
20.69
2f16Z-3aarA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		5 ALA A 458
THR A 459
ALA A 407
VAL A 434
LYS A 432
 None
 0.96A 2f16Y-3c7oA:
undetectable
2f16Z-3c7oA:
undetectable		 2f16Y-3c7oA:
18.09
2f16Z-3c7oA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1e THIOESTERASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF03061
(4HBT) 		5 ALA A 116
THR A 115
ALA A 114
ALA A 102
ASP A  63
 None
 0.91A 2f16Y-3e1eA:
undetectable
2f16Z-3e1eA:
undetectable		 2f16Y-3e1eA:
19.91
2f16Z-3e1eA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 THR M 213
THR M 106
ALA M  29
ALA M 105
ALA M  36
 None
 1.01A 2f16Y-3i04M:
undetectable
2f16Z-3i04M:
undetectable		 2f16Y-3i04M:
14.54
2f16Z-3i04M:
15.45
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 6 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
ALA N  49
 None
 0.56A 2f16Y-3mg6N:
16.6
2f16Z-3mg6N:
25.1		 2f16Y-3mg6N:
27.18
2f16Z-3mg6N:
23.11
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.
3nwa ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA B 211
THR B 221
ALA B 222
ALA B 190
ASP B 188
 None
 0.94A 2f16Y-3nwaB:
undetectable
2f16Z-3nwaB:
undetectable		 2f16Y-3nwaB:
13.95
2f16Z-3nwaB:
15.19
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		5 THR A 255
ALA A 254
ALA A 221
VAL A 234
GLY A  37
 None
 0.96A 2f16Y-3o07A:
undetectable
2f16Z-3o07A:
undetectable		 2f16Y-3o07A:
22.76
2f16Z-3o07A:
22.67
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.60A 2f16Y-3unfH:
17.5
2f16Z-3unfH:
25.5		 2f16Y-3unfH:
26.16
2f16Z-3unfH:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 THR A 212
ALA A 211
ALA A 159
VAL A 162
ALA A 249
 None
 0.99A 2f16Y-3uszA:
undetectable
2f16Z-3uszA:
undetectable		 2f16Y-3uszA:
14.27
2f16Z-3uszA:
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		6 ALA A 834
THR A 833
ALA A 889
ALA A 835
GLY A 995
ALA A1013
 None
 1.31A 2f16Y-3w94A:
undetectable
2f16Z-3w94A:
undetectable		 2f16Y-3w94A:
21.69
2f16Z-3w94A:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		5 ALA A  52
THR A  53
ALA A 321
VAL A 314
GLY A 304
 None
 0.87A 2f16Y-3wvsA:
undetectable
2f16Z-3wvsA:
undetectable		 2f16Y-3wvsA:
19.85
2f16Z-3wvsA:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 ALA L  20
ALA L  22
ALA L  27
VAL L  31
LYS L  33
GLY L  48
 None
 0.84A 2f16Y-3wxrL:
37.8
2f16Z-3wxrL:
23.0		 2f16Y-3wxrL:
100.00
2f16Z-3wxrL:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		9 THR L   1
ALA L  20
THR L  21
ALA L  22
ALA L  27
VAL L  31
LYS L  33
GLY L  47
ALA L  49
 None
 0.65A 2f16Y-3wxrL:
37.8
2f16Z-3wxrL:
23.0		 2f16Y-3wxrL:
100.00
2f16Z-3wxrL:
22.18
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 THR A  60
ALA A 130
THR A 131
ALA A 132
GLY A  90
 None
None
None
CL  A 501 ( 4.1A)
CL  A 503 ( 3.8A)
 1.04A 2f16Y-3zx2A:
undetectable
2f16Z-3zx2A:
undetectable		 2f16Y-3zx2A:
16.59
2f16Z-3zx2A:
16.70
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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		5 THR A 507
ALA A 506
ALA A 500
VAL A 522
GLY A 462
 None
 0.92A 2f16Y-4cagA:
undetectable
2f16Z-4cagA:
undetectable		 2f16Y-4cagA:
16.92
2f16Z-4cagA:
17.85
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.
4dnx SULFATE
ADENYLYLTRANSFERASE

(Allochromatium
vinosum) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ALA A  44
ALA A  40
VAL A 163
GLY A 266
ASP A 103
 None
 1.01A 2f16Y-4dnxA:
undetectable
2f16Z-4dnxA:
undetectable		 2f16Y-4dnxA:
21.52
2f16Z-4dnxA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 281
THR A 282
ALA A 326
ALA A 322
GLY A 254
 None
 1.05A 2f16Y-4fxsA:
undetectable
2f16Z-4fxsA:
undetectable		 2f16Y-4fxsA:
18.25
2f16Z-4fxsA:
17.30
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 ALA A  20
THR A  21
VAL A  31
LYS A  33
GLY A  49
 None
 1.04A 2f16Y-4g4eA:
21.0
2f16Z-4g4eA:
5.9		 2f16Y-4g4eA:
28.05
2f16Z-4g4eA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		6 THR A   1
ALA A  20
THR A  21
VAL A  31
LYS A  33
GLY A  48
 None
 0.68A 2f16Y-4g4eA:
21.0
2f16Z-4g4eA:
5.9		 2f16Y-4g4eA:
28.05
2f16Z-4g4eA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ga4 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ALA A 377
THR A 355
ALA A 354
ALA A 358
ALA A 386
 None
 1.03A 2f16Y-4ga4A:
undetectable
2f16Z-4ga4A:
undetectable		 2f16Y-4ga4A:
18.59
2f16Z-4ga4A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
ALA A  28
LYS A  34
GLY A  48
 None
 0.65A 2f16Y-4ho7A:
10.1
2f16Z-4ho7A:
5.8		 2f16Y-4ho7A:
23.26
2f16Z-4ho7A:
23.68
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.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC

(Mycobacterium
marinum) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 102
ALA A 100
ALA A 104
GLY A 124
ASP A 195
 None
 1.01A 2f16Y-4kamA:
undetectable
2f16Z-4kamA:
undetectable		 2f16Y-4kamA:
19.28
2f16Z-4kamA:
21.23
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		5 ALA A 197
ALA A 194
ALA A 144
VAL A 199
GLY A 210
 None
 0.90A 2f16Y-4ne4A:
undetectable
2f16Z-4ne4A:
undetectable		 2f16Y-4ne4A:
21.77
2f16Z-4ne4A:
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		5 ALA A  51
ALA A  47
ALA A 259
VAL A 247
GLY A  56
 None
 1.03A 2f16Y-4oqfA:
undetectable
2f16Z-4oqfA:
undetectable		 2f16Y-4oqfA:
22.35
2f16Z-4oqfA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtf L,D-TRANSPEPTIDASE
LDTB

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ALA A 137
THR A 138
ALA A 128
ALA A 130
VAL A  59
 None
 0.93A 2f16Y-4qtfA:
undetectable
2f16Z-4qtfA:
undetectable		 2f16Y-4qtfA:
22.39
2f16Z-4qtfA:
20.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  20
ALA K  22
ALA K  27
VAL K  31
GLY K  48
 None
 0.62A 2f16Y-4qv9K:
38.2
2f16Z-4qv9K:
23.2		 2f16Y-4qv9K:
99.53
2f16Z-4qv9K:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		9 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
VAL K  31
LYS K  33
GLY K  47
ALA K  49
 None
 0.48A 2f16Y-4qv9K:
38.2
2f16Z-4qv9K:
23.2		 2f16Y-4qv9K:
99.53
2f16Z-4qv9K:
21.58
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.
4r72 ABC-TYPE FE3+
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Actinobacillus
pleuropneumoniae) 		PF13343
(SBP_bac_6) 		5 THR A 197
ALA A 193
ALA A 215
GLY A 200
ALA A 189
 None
 1.00A 2f16Y-4r72A:
undetectable
2f16Z-4r72A:
undetectable		 2f16Y-4r72A:
21.08
2f16Z-4r72A:
22.64
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.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		5 ALA A 275
THR A 274
ALA A 273
GLY A 230
ALA A 150
 None
 1.00A 2f16Y-4yleA:
undetectable
2f16Z-4yleA:
undetectable		 2f16Y-4yleA:
22.29
2f16Z-4yleA:
21.18
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.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		5 ALA A 275
THR A 274
ALA A 273
VAL A 311
ALA A 150
 None
 0.95A 2f16Y-4yleA:
undetectable
2f16Z-4yleA:
undetectable		 2f16Y-4yleA:
22.29
2f16Z-4yleA:
21.18
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.
5d1r RV1816
TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		5 ALA A  99
ALA A  97
VAL A 196
GLY A 104
ASP A 221
 None
 1.04A 2f16Y-5d1rA:
undetectable
2f16Z-5d1rA:
undetectable		 2f16Y-5d1rA:
19.76
2f16Z-5d1rA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		5 ALA A 184
THR A 183
ALA A 181
GLY A 189
ALA A 148
 None
 0.92A 2f16Y-5d8wA:
undetectable
2f16Z-5d8wA:
undetectable		 2f16Y-5d8wA:
20.82
2f16Z-5d8wA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.51A 2f16Y-5fg9H:
16.1
2f16Z-5fg9H:
23.2		 2f16Y-5fg9H:
29.22
2f16Z-5fg9H:
24.22
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.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 1.04A 2f16Y-5fmgI:
16.7
2f16Z-5fmgI:
23.5		 2f16Y-5fmgI:
26.29
2f16Z-5fmgI:
21.07
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.80A 2f16Y-5fmgI:
16.7
2f16Z-5fmgI:
23.5		 2f16Y-5fmgI:
26.29
2f16Z-5fmgI:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  20
VAL L  31
GLY L  47
ALA L  49
 None
 0.76A 2f16Y-5fmgL:
16.5
2f16Z-5fmgL:
7.1		 2f16Y-5fmgL:
47.89
2f16Z-5fmgL:
23.53
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.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 ALA C 156
THR C 155
ALA C 154
GLY C 161
ALA C 105
 None
None
PX4  C 303 ( 3.9A)
None
None
 1.05A 2f16Y-5h35C:
undetectable
2f16Z-5h35C:
undetectable		 2f16Y-5h35C:
22.94
2f16Z-5h35C:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 566
ALA A 569
VAL A 582
GLY A 560
ALA A 558
 None
 1.05A 2f16Y-5i51A:
undetectable
2f16Z-5i51A:
undetectable		 2f16Y-5i51A:
14.29
2f16Z-5i51A:
16.26
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.
5idq SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		5 ALA A  30
THR A  31
ALA A  32
ALA A  48
VAL A  28
 None
 0.88A 2f16Y-5idqA:
undetectable
2f16Z-5idqA:
undetectable		 2f16Y-5idqA:
22.69
2f16Z-5idqA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idq SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		5 ALA A  30
THR A  31
ALA A  48
VAL A  28
GLY A  14
 None
 0.88A 2f16Y-5idqA:
undetectable
2f16Z-5idqA:
undetectable		 2f16Y-5idqA:
22.69
2f16Z-5idqA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ifg ANTITOXIN HIGA
MRNA INTERFERASE
HIGB

(Escherichia
coli) 		PF01381
(HTH_3)
PF09907
(HigB_toxin) 		5 THR A   5
THR B  58
ALA B  55
ALA B  59
ALA B  33
 None
 1.05A 2f16Y-5ifgA:
undetectable
2f16Z-5ifgA:
undetectable		 2f16Y-5ifgA:
16.19
2f16Z-5ifgA:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  20
ALA K  22
ALA K  27
VAL K  31
GLY K  48
 None
 0.75A 2f16Y-5l5wK:
23.7
2f16Z-5l5wK:
23.4		 2f16Y-5l5wK:
82.55
2f16Z-5l5wK:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		9 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
VAL K  31
LYS K  33
GLY K  47
ALA K  49
 None
 0.73A 2f16Y-5l5wK:
23.7
2f16Z-5l5wK:
23.4		 2f16Y-5l5wK:
82.55
2f16Z-5l5wK:
23.93
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.
5lzl DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pyrobaculum
calidifontis) 		PF00490
(ALAD) 		5 ALA A 160
ALA A 187
ALA A 157
VAL A 124
GLY A 197
 None
 0.99A 2f16Y-5lzlA:
undetectable
2f16Z-5lzlA:
undetectable		 2f16Y-5lzlA:
20.35
2f16Z-5lzlA:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 THR K   1
ALA K  20
ALA K  22
VAL K  31
LYS K  33
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
None
7DX  K 301 (-4.2A)
7DX  K 301 (-4.2A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.57A 2f16Y-5m2bK:
24.8
2f16Z-5m2bK:
23.7		 2f16Y-5m2bK:
76.89
2f16Z-5m2bK:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 ALA A 495
THR A 494
ALA A 493
ALA A 414
VAL A 497
 None
 0.97A 2f16Y-5nbsA:
undetectable
2f16Z-5nbsA:
undetectable		 2f16Y-5nbsA:
14.42
2f16Z-5nbsA:
15.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 ALA R  20
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  48
 None
 1.01A 2f16Y-5t0gR:
18.6
2f16Z-5t0gR:
23.6		 2f16Y-5t0gR:
65.38
2f16Z-5t0gR:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		8 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  47
 None
 0.98A 2f16Y-5t0gR:
18.6
2f16Z-5t0gR:
23.6		 2f16Y-5t0gR:
65.38
2f16Z-5t0gR:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		8 THR R   1
ALA R  20
THR R  21
ALA R  22
VAL R  31
LYS R  33
GLY R  47
ALA R  49
 None
 1.01A 2f16Y-5t0gR:
18.6
2f16Z-5t0gR:
23.6		 2f16Y-5t0gR:
65.38
2f16Z-5t0gR:
22.06
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 7 ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  48
 None
 0.79A 2f16Y-5vfrR:
24.8
2f16Z-5vfrR:
23.3		 2f16Y-5vfrR:
undetectable
2f16Z-5vfrR:
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 9 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  47
ALA R  49
 None
 0.63A 2f16Y-5vfrR:
24.8
2f16Z-5vfrR:
23.3		 2f16Y-5vfrR:
undetectable
2f16Z-5vfrR:
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.
5vqh TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN HOMOLOG

(Bombyx mori) 		PF00567
(TUDOR) 		5 ALA A  61
ALA A  72
VAL A 102
GLY A  67
ASP A  98
 None
None
None
None
2MR  A 501 (-2.8A)
 0.96A 2f16Y-5vqhA:
undetectable
2f16Z-5vqhA:
undetectable		 2f16Y-5vqhA:
22.43
2f16Z-5vqhA:
22.18
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.
5y0m -

(-) 		no annotation 5 ALA A 165
ALA A  63
VAL A  74
GLY A 119
ALA A 116
 None
 0.98A 2f16Y-5y0mA:
undetectable
2f16Z-5y0mA:
undetectable		 2f16Y-5y0mA:
undetectable
2f16Z-5y0mA:
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.
5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 THR A 162
ALA A 140
ALA A 153
ALA A 139
GLY A 143
 None
 1.05A 2f16Y-5zqzA:
undetectable
2f16Z-5zqzA:
undetectable		 2f16Y-5zqzA:
14.62
2f16Z-5zqzA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.63A 2f16Y-6avoB:
12.3
2f16Z-6avoB:
21.1		 2f16Y-6avoB:
20.44
2f16Z-6avoB:
18.66
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
 None
 0.67A 2f16Y-6avoB:
12.3
2f16Z-6avoB:
21.1		 2f16Y-6avoB:
20.44
2f16Z-6avoB:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 7 THR C   1
ALA C  20
ALA C  22
VAL C  31
LYS C  33
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.60A 2f16Y-6avoC:
19.9
2f16Z-6avoC:
24.5		 2f16Y-6avoC:
66.25
2f16Z-6avoC:
17.37
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 THR A   1
ALA A  22
LYS A  33
GLY A  47
ALA A  49
 None
 0.55A 2f16Y-6avoA:
14.2
2f16Z-6avoA:
25.6		 2f16Y-6avoA:
20.28
2f16Z-6avoA:
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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA A 211
THR A 221
ALA A 222
ALA A 190
ASP A 188
 None
 0.89A 2f16Y-6bm8A:
undetectable
2f16Z-6bm8A:
undetectable		 2f16Y-6bm8A:
15.09
2f16Z-6bm8A:
18.66
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.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 5 ALA A  33
ALA A 255
VAL A  51
GLY A  72
ALA A  69
 None
 0.87A 2f16Y-6bn2A:
undetectable
2f16Z-6bn2A:
undetectable		 2f16Y-6bn2A:
18.93
2f16Z-6bn2A:
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.
6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2

(Candidatus
Methanoperedens
nitroreducens) 		no annotation 5 ALA A 221
ALA A 296
ALA A 277
VAL A 307
GLY A 216
 None
 0.94A 2f16Y-6bxnA:
undetectable
2f16Z-6bxnA:
undetectable		 2f16Y-6bxnA:
17.50
2f16Z-6bxnA:
15.57
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.
6ci9 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 THR A  13
THR A 141
ALA A 184
VAL A 138
GLY A 118
 None
NAP  A 301 (-3.9A)
None
None
None
 0.99A 2f16Y-6ci9A:
undetectable
2f16Z-6ci9A:
undetectable		 2f16Y-6ci9A:
18.45
2f16Z-6ci9A:
15.98
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.
6es9 ACYL-COA
DEHYDROGENASE

(Paracoccus
denitrificans) 		no annotation 5 THR A  34
ALA A  33
ALA A  36
VAL A  41
ALA A  59
 None
 1.06A 2f16Y-6es9A:
undetectable
2f16Z-6es9A:
undetectable		 2f16Y-6es9A:
17.21
2f16Z-6es9A:
15.64
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 6 THR I  52
ALA I  56
ALA I 161
ALA I  59
VAL I  95
GLY I  80
 None
 1.49A 2f16Y-6esqI:
undetectable
2f16Z-6esqI:
undetectable		 2f16Y-6esqI:
15.57
2f16Z-6esqI:
17.59