SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q5K_A_AB1A201_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.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		5 ALA A  75
VAL A  92
GLY A 113
VAL A  97
ILE A  93
 None
 0.95A 2q5kA-1b74A:
undetectable		 2q5kA-1b74A:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF01012
(ETF) 		5 ALA B  89
ASP B  90
VAL B 215
VAL B 101
ILE B  96
 None
None
None
AMP  A 400 ( 4.7A)
None
 0.97A 2q5kA-1efpB:
undetectable		 2q5kA-1efpB:
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 ALA A  39
ASP A  38
VAL A 324
ILE A  44
ILE A 328
 None
 1.08A 2q5kA-1fobA:
undetectable		 2q5kA-1fobA:
13.21
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 ALA A  39
ASP A  38
VAL A 324
PRO A 299
ILE A 328
 None
 1.05A 2q5kA-1fobA:
undetectable		 2q5kA-1fobA:
13.21
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 ALA A 244
GLY A 288
ILE A 292
VAL A 277
ILE A 236
 None
 0.94A 2q5kA-1gq7A:
undetectable		 2q5kA-1gq7A:
18.03
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.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		5 ALA A  82
VAL A 171
GLY A 320
ILE A 321
ILE A 125
 None
 0.99A 2q5kA-1gzgA:
undetectable		 2q5kA-1gzgA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 ALA A 421
ASP A 420
GLY A  59
ILE A  58
ILE A 408
 None
 0.93A 2q5kA-1h4pA:
undetectable		 2q5kA-1h4pA:
15.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.87A 2q5kA-1hvcA:
14.4		 2q5kA-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.64A 2q5kA-1hvcA:
14.4		 2q5kA-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.67A 2q5kA-1hvcA:
14.4		 2q5kA-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.53A 2q5kA-1hvcA:
14.4		 2q5kA-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  84
 None
 0.49A 2q5kA-1q9pA:
10.8		 2q5kA-1q9pA:
92.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.85A 2q5kA-1sivA:
18.4		 2q5kA-1sivA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.50A 2q5kA-1sivA:
18.4		 2q5kA-1sivA:
50.51
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 190
ASP A 191
GLY A 244
ILE A 247
ILE A 259
 None
None
SO4  A 373 (-3.5A)
None
None
 0.92A 2q5kA-1to6A:
undetectable		 2q5kA-1to6A:
16.85
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP B 297
ALA B 388
VAL B 386
GLY B 336
VAL B 325
 None
 1.08A 2q5kA-1tqyB:
undetectable		 2q5kA-1tqyB:
11.68
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
 None
 0.64A 2q5kA-1usyC:
undetectable		 2q5kA-1usyC:
17.05
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.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 ALA A 122
VAL A  89
ILE A 169
VAL A 147
ILE A 149
 None
 0.96A 2q5kA-1uwwA:
undetectable		 2q5kA-1uwwA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 324
ASP A 320
GLY A 279
VAL A 315
ILE A 317
 None
FAD  A1601 (-3.8A)
FAD  A1601 (-3.5A)
None
None
 0.97A 2q5kA-1v5fA:
undetectable		 2q5kA-1v5fA:
10.98
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.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		5 ASP A  10
GLY A 105
ILE A 109
VAL A 141
ILE A   6
 None
 1.05A 2q5kA-1vr0A:
undetectable		 2q5kA-1vr0A:
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ALA A 237
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 1.06A 2q5kA-1wdtA:
undetectable		 2q5kA-1wdtA:
8.86
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.
1wu8 HYPOTHETICAL PROTEIN
PH0463

(Pyrococcus
horikoshii) 		PF01887
(SAM_adeno_trans) 		5 ALA A  29
GLY A 142
ILE A 143
VAL A  64
ILE A   2
 None
 0.94A 2q5kA-1wu8A:
undetectable		 2q5kA-1wu8A:
18.73
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ALA A 347
ASP A 348
GLY A 383
ILE A 385
ILE A 342
 None
 0.92A 2q5kA-1x0uA:
undetectable		 2q5kA-1x0uA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z0f RAB14, MEMBER RAS
ONCOGENE FAMILY

(Homo sapiens) 		PF00071
(Ras) 		5 ALA A 164
ASP A 163
GLY A 158
VAL A  90
ILE A 122
 None
 1.10A 2q5kA-1z0fA:
undetectable		 2q5kA-1z0fA:
22.73
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.
2cnd NADH-DEPENDENT
NITRATE REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA A 241
GLY A 147
ILE A 148
VAL A 221
ILE A 252
 None
 1.07A 2q5kA-2cndA:
undetectable		 2q5kA-2cndA:
16.36
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ALA A 449
ASP A 448
GLY A 288
VAL A 555
ILE A 559
 None
 1.01A 2q5kA-2fafA:
undetectable		 2q5kA-2fafA:
11.66
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.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 ALA A 116
GLY A 161
ILE A 162
VAL A  22
ILE A  21
 None
 1.01A 2q5kA-2fg5A:
undetectable		 2q5kA-2fg5A:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.44A 2q5kA-2fmbA:
14.9		 2q5kA-2fmbA:
33.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
VAL A  32
GLY A  54
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.80A 2q5kA-2fmbA:
14.9		 2q5kA-2fmbA:
33.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A 235
ASP A 236
GLY A 312
ILE A 310
VAL A 208
 None
None
LLP  A  58 ( 3.5A)
None
None
 1.03A 2q5kA-2gn1A:
undetectable		 2q5kA-2gn1A:
15.79
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.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 355
VAL A 371
GLY A 345
ILE A 308
ILE A 328
 None
 0.82A 2q5kA-2p3eA:
undetectable		 2q5kA-2p3eA:
13.88
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 ALA A 163
ASP A 164
GLY A 127
VAL A 191
ILE A 189
 None
 1.03A 2q5kA-2p50A:
undetectable		 2q5kA-2p50A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		5 ALA A 145
ASP A   2
VAL A  29
VAL A   8
ILE A   6
 None
None
None
FAD  A 500 (-4.8A)
None
 1.09A 2q5kA-2qa1A:
undetectable		 2q5kA-2qa1A:
9.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.77A 2q5kA-2rkfA:
20.6		 2q5kA-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.42A 2q5kA-2rkfA:
20.6		 2q5kA-2rkfA:
82.83
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.90A 2q5kA-2y23A:
undetectable		 2q5kA-2y23A:
18.25
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.
2z8u TATA-BOX-BINDING
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00352
(TBP) 		5 ALA A 163
ASP A 162
ILE A 170
PRO A   3
ILE A   5
 None
 1.08A 2q5kA-2z8uA:
undetectable		 2q5kA-2z8uA:
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.
3agf GLUTAMINASE 1

(Bacillus
subtilis) 		PF04960
(Glutaminase) 		5 ALA A 240
ASP A 224
VAL A 234
GLY A 218
VAL A 151
 None
 0.96A 2q5kA-3agfA:
undetectable		 2q5kA-3agfA:
13.72
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		5 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A 100
 None
 1.09A 2q5kA-3b8bA:
undetectable		 2q5kA-3b8bA:
16.20
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.
3bjq PHAGE-RELATED
PROTEIN

(Bordetella
bronchiseptica) 		PF03864
(Phage_cap_E) 		5 ALA A  20
VAL A 290
GLY A 107
ILE A 104
VAL A  12
 None
 1.09A 2q5kA-3bjqA:
undetectable		 2q5kA-3bjqA:
17.69
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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		5 ALA A  54
VAL A  85
GLY A  70
ILE A 355
ILE A  44
 None
 0.91A 2q5kA-3i1iA:
undetectable		 2q5kA-3i1iA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.93A 2q5kA-3i5gA:
undetectable		 2q5kA-3i5gA:
8.34
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 ALA A  12
VAL A  14
GLY A  65
ILE A  93
ILE A  13
 None
 1.07A 2q5kA-3in1A:
undetectable		 2q5kA-3in1A:
15.17
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.
3kzg ARGININE 3RD
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN

(Legionella
pneumophila) 		PF00497
(SBP_bac_3) 		5 ASP A  46
GLY A 208
ILE A  88
VAL A  83
ILE A  84
 None
 1.06A 2q5kA-3kzgA:
undetectable		 2q5kA-3kzgA:
17.13
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 ALA A 389
VAL A  33
ILE A  48
VAL A  35
ILE A  32
 None
 1.06A 2q5kA-3lscA:
undetectable		 2q5kA-3lscA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 ALA A 209
VAL A 175
ILE A  93
VAL A 203
ILE A 205
 None
 1.07A 2q5kA-3lunA:
undetectable		 2q5kA-3lunA:
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.
3m3g EPL1 PROTEIN

(Trichoderma
virens) 		PF07249
(Cerato-platanin) 		5 ALA A 109
ASP A 108
GLY A 116
VAL A  21
ILE A 105
 None
None
EDO  A   5 (-4.7A)
None
None
 1.03A 2q5kA-3m3gA:
undetectable		 2q5kA-3m3gA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.84A 2q5kA-3mwsA:
19.6		 2q5kA-3mwsA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.50A 2q5kA-3mwsA:
19.6		 2q5kA-3mwsA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 1.31A 2q5kA-3mwsA:
19.6		 2q5kA-3mwsA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 ALA A 225
ASP A 226
ILE A 192
VAL A 207
ILE A 261
 None
 0.99A 2q5kA-3o8lA:
undetectable		 2q5kA-3o8lA:
9.50
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.
3qkc GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Antirrhinum
majus) 		no annotation 5 VAL B 154
GLY B 112
ILE B 115
VAL B 147
ILE B 153
 None
 0.78A 2q5kA-3qkcB:
undetectable		 2q5kA-3qkcB:
16.73
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
ALA A  35
VAL A  39
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.96A 2q5kA-3slzA:
11.1		 2q5kA-3slzA:
26.67
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 VAL A  96
GLY A 180
ILE A 179
VAL A  94
ILE A 262
 None
 1.08A 2q5kA-3syjA:
undetectable		 2q5kA-3syjA:
8.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.79A 2q5kA-3t3cA:
18.5		 2q5kA-3t3cA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.85A 2q5kA-3ttpA:
19.2		 2q5kA-3ttpA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.39A 2q5kA-3ttpA:
19.2		 2q5kA-3ttpA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.24A 2q5kA-3ttpA:
19.2		 2q5kA-3ttpA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.44A 2q5kA-3ttpA:
19.2		 2q5kA-3ttpA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.51A 2q5kA-3u7sA:
19.5		 2q5kA-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 1.36A 2q5kA-3u7sA:
19.5		 2q5kA-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.50A 2q5kA-3uhlA:
16.2		 2q5kA-3uhlA:
78.79
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.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A  88
GLY A  38
PRO A 144
VAL A 146
ILE A  96
 None
SO4  A 273 ( 4.9A)
None
None
None
 1.09A 2q5kA-3v2gA:
undetectable		 2q5kA-3v2gA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w8g MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 1.06A 2q5kA-3w8gA:
undetectable		 2q5kA-3w8gA:
17.70
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.98A 2q5kA-4ao7A:
undetectable		 2q5kA-4ao7A:
19.21
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.
4bem F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii) 		PF00137
(ATP-synt_C) 		5 ALA J 172
GLY J 165
ILE J 166
VAL J  87
ILE J  88
 None
None
None
HTG  J1187 (-4.5A)
None
 0.93A 2q5kA-4bemJ:
undetectable		 2q5kA-4bemJ:
19.34
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 307
VAL A 108
ILE A 124
VAL A 195
ILE A 197
 None
 1.06A 2q5kA-4c13A:
undetectable		 2q5kA-4c13A:
10.85
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 1.01A 2q5kA-4c30A:
undetectable		 2q5kA-4c30A:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ALA A 261
ASP A 262
GLY A 458
ILE A 457
ILE A 220
 None
 0.79A 2q5kA-4db1A:
undetectable		 2q5kA-4db1A:
8.55
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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 454
ASP A 428
VAL A 448
VAL A 369
ILE A 449
 None
 1.04A 2q5kA-4fsfA:
undetectable		 2q5kA-4fsfA:
12.55
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.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 VAL A  44
GLY A  90
ILE A  94
VAL A  39
ILE A  43
 None
 1.05A 2q5kA-4gbrA:
undetectable		 2q5kA-4gbrA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		5 ALA A 397
VAL A  33
ILE A  48
VAL A  35
ILE A  32
 None
 1.00A 2q5kA-4gz7A:
undetectable		 2q5kA-4gz7A:
13.28
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.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides) 		PF03328
(HpcH_HpaI) 		5 ASP A 101
VAL A  75
GLY A  97
VAL A  89
ILE A 103
 None
 1.06A 2q5kA-4l9zA:
undetectable		 2q5kA-4l9zA:
15.14
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.
4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA) 		5 ALA A  28
VAL A 286
GLY A   6
ILE A  67
ILE A 290
 None
 1.10A 2q5kA-4mioA:
undetectable		 2q5kA-4mioA:
15.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.78A 2q5kA-4njvA:
20.2		 2q5kA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 2q5kA-4njvA:
20.2		 2q5kA-4njvA:
85.86
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.
4ntc GLIT

(Aspergillus
fumigatus) 		PF07992
(Pyr_redox_2) 		5 ALA A  39
ASP A  15
VAL A 119
GLY A  31
ILE A  18
 None
 1.04A 2q5kA-4ntcA:
undetectable		 2q5kA-4ntcA:
13.98
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		5 ALA A 261
ASP A 262
GLY A 458
ILE A 457
ILE A 220
 None
 0.86A 2q5kA-4p7hA:
undetectable		 2q5kA-4p7hA:
7.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlb CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 ASP A 201
GLY A 192
ILE A 188
VAL A 120
ILE A 122
 None
 0.95A 2q5kA-4rlbA:
undetectable		 2q5kA-4rlbA:
16.05
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 ALA A 234
ASP A 235
ILE A 201
VAL A 216
ILE A 270
 None
PO4  A 802 ( 4.6A)
None
None
None
 1.02A 2q5kA-4u1rA:
undetectable		 2q5kA-4u1rA:
10.81
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.
4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Klebsiella
pneumoniae) 		PF10706
(Aminoglyc_resit) 		5 ALA A  16
ASP A  17
ILE A   9
VAL A  61
ILE A  60
 None
 0.95A 2q5kA-4wqlA:
undetectable		 2q5kA-4wqlA:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
ALA A  35
ASP A  36
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.49A 2q5kA-4ydfA:
13.1		 2q5kA-4ydfA:
31.62
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.
5d86 PROBABLE SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNA

(Staphylococcus
aureus) 		PF00291
(PALP) 		5 ASP A 250
GLY A 274
ILE A 277
VAL A 207
ILE A 247
 None
 1.06A 2q5kA-5d86A:
undetectable		 2q5kA-5d86A:
15.15
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.
5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS

(Mus musculus) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.08A 2q5kA-5eg6C:
undetectable		 2q5kA-5eg6C:
12.98
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.
5fmg PROTEASOME SUBUNIT
ALPHA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA E 221
GLY E  39
ILE E  40
VAL E 148
ILE E 222
 None
 1.10A 2q5kA-5fmgE:
undetectable		 2q5kA-5fmgE:
18.11
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.
5fmg PROTEASOME, PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ASP H 157
VAL H  12
ILE H  37
VAL H 231
ILE H 233
 None
 0.94A 2q5kA-5fmgH:
undetectable		 2q5kA-5fmgH:
13.20
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.
5hsp MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 1.03A 2q5kA-5hspA:
undetectable		 2q5kA-5hspA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5izk SELENOCYSTEINE-SPECI
FIC ELONGATION
FACTOR

(Homo sapiens) 		PF00009
(GTP_EFTU) 		5 ALA A 315
VAL A 428
GLY A 346
VAL A 319
ILE A 317
 None
 1.07A 2q5kA-5izkA:
undetectable		 2q5kA-5izkA:
11.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.39A 2q5kA-5t2zA:
19.6		 2q5kA-5t2zA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 1.38A 2q5kA-5t2zA:
19.6		 2q5kA-5t2zA:
78.79
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.
5w1a MYOSIN HEAVY CHAIN,
MUSCLE

(Drosophila
melanogaster) 		no annotation 5 ALA A 260
ASP A 261
VAL A 219
GLY A 457
ILE A 456
 None
 0.85A 2q5kA-5w1aA:
undetectable		 2q5kA-5w1aA:
20.72
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 6 ALA A 179
VAL A 486
GLY A 369
ILE A 397
VAL A 483
ILE A 530
 None
 1.28A 2q5kA-5ww1A:
undetectable		 2q5kA-5ww1A:
19.23
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ALA A 243
ASP A 244
GLY A 322
ILE A 290
VAL A 214
 None
None
LLP  A  63 ( 3.8A)
None
None
 0.90A 2q5kA-5ybwA:
undetectable		 2q5kA-5ybwA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ckt 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Legionella
pneumophila) 		no annotation 5 ALA A 162
VAL A 140
GLY A 147
VAL A 156
ILE A 158
 None
 1.04A 2q5kA-6cktA:
undetectable		 2q5kA-6cktA:
18.69
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1
PRE-MRNA 3' END
PROCESSING PROTEIN
WDR33

(Homo sapiens) 		no annotation 5 ASP B  58
VAL B  63
GLY A1187
ILE A1186
ILE B  64
 None
 0.97A 2q5kA-6f9nB:
undetectable		 2q5kA-6f9nB:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.63A 2q5kA-6fivA:
15.0		 2q5kA-6fivA:
29.57
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.
6fsa -

(-) 		no annotation 5 ALA A 261
ASP A 262
GLY A 458
ILE A 457
ILE A 220
 None
 0.81A 2q5kA-6fsaA:
undetectable		 2q5kA-6fsaA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.96A 2q5kA-6upjA:
17.8		 2q5kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.95A 2q5kA-6upjA:
17.8		 2q5kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
 1.42A 2q5kA-6upjA:
17.8		 2q5kA-6upjA:
49.49