SIMILAR PATTERNS OF AMINO ACIDS FOR 1SH9_B_RITB301_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A  14
ILE A  45
ILE A  77
ILE A  66
ALA A  61
 None
 0.92A 1sh9B-1c30A:
undetectable		 1sh9B-1c30A:
7.45
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.
1d5c RAB6 GTPASE

(Plasmodium
falciparum) 		PF00071
(Ras) 		5 GLY A  18
ASP A 108
ILE A 109
ILE A  81
ALA A 120
 None
 1.03A 1sh9B-1d5cA:
undetectable		 1sh9B-1d5cA:
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.
1d7b CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF16010
(CDH-cyt) 		5 ASP A  68
GLY A  62
GLY A  58
PRO A  93
ALA A  87
 None
None
HEM  A 401 (-3.5A)
HEM  A 401 (-4.5A)
None
 0.99A 1sh9B-1d7bA:
undetectable		 1sh9B-1d7bA:
18.44
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 GLY A  49
ASP A  21
ILE A  22
ILE A  17
PRO A  54
 None
 1.00A 1sh9B-1gkrA:
undetectable		 1sh9B-1gkrA:
12.33
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 ARG A   8
ASP A  25
GLY A  27
ASP A  30
ILE A  47
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
 1.39A 1sh9B-1hvcA:
13.3		 1sh9B-1hvcA:
89.90
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 ARG A   8
ASP A  25
GLY A  27
ASP A  30
ILE A  47
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 ( 3.4A)
 1.14A 1sh9B-1hvcA:
13.3		 1sh9B-1hvcA:
89.90
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
GLY A  27
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.60A 1sh9B-1hvcA:
13.3		 1sh9B-1hvcA:
89.90
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
GLY A  27
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.55A 1sh9B-1hvcA:
13.3		 1sh9B-1hvcA:
89.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A  20
ILE A 142
ILE A 132
GLY A 110
ILE A 111
 None
 1.01A 1sh9B-1lxtA:
undetectable		 1sh9B-1lxtA:
11.63
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.
1omx ALPHA-1,4-N-ACETYLHE
XOSAMINYLTRANSFERASE
EXTL2

(Mus musculus) 		PF09258
(Glyco_transf_64) 		5 ILE A 316
ILE A 314
GLY A 262
ILE A 175
ALA A 164
 None
EDO  A 401 (-4.7A)
None
None
None
 0.93A 1sh9B-1omxA:
undetectable		 1sh9B-1omxA:
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ARG A 515
ILE A 397
ILE A 392
GLY A 425
ILE A 426
 None
 1.06A 1sh9B-1poxA:
undetectable		 1sh9B-1poxA:
12.35
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
GLY A  27
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.72A 1sh9B-1sivA:
18.9		 1sh9B-1sivA:
49.49
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.
1vz8 ORNITHINE
ACETYL-TRANSFERASE

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 ASP A 365
GLY A 272
ILE A 326
ILE A 310
PRO A 335
 None
 1.06A 1sh9B-1vz8A:
undetectable		 1sh9B-1vz8A:
12.89
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.
1zcc GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Agrobacterium
fabrum) 		PF03009
(GDPD) 		5 ASP A 226
ILE A   4
ILE A 220
GLY A 202
ALA A  25
 None
 1.07A 1sh9B-1zccA:
undetectable		 1sh9B-1zccA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		5 GLY A 291
ILE A 227
ILE A 224
GLY A 284
ALA A 237
 None
 0.87A 1sh9B-1zkdA:
undetectable		 1sh9B-1zkdA:
12.14
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.36A 1sh9B-2fmbA:
15.3		 1sh9B-2fmbA:
27.88
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.
2fyw CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF01784
(NIF3) 		5 GLY A  57
ILE A 250
ILE A 252
ILE A  61
ALA A   3
 None
 1.00A 1sh9B-2fywA:
undetectable		 1sh9B-2fywA:
20.56
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 115
ILE A 102
GLY A  66
ILE A  65
PRO A 528
 None
 0.81A 1sh9B-2g3nA:
undetectable		 1sh9B-2g3nA:
9.51
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 GLY A 122
ASP A  32
ILE A  31
ILE A 126
ILE A  99
 None
 1.08A 1sh9B-2h6tA:
5.4		 1sh9B-2h6tA:
16.39
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 ASP A 402
GLY A 149
ILE A 432
ILE A 497
PRO A 434
 None
 1.06A 1sh9B-2hj0A:
undetectable		 1sh9B-2hj0A:
11.58
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.
2hoq PUTATIVE
HAD-HYDROLASE PH1655

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		5 GLY A 174
ILE A   5
GLY A 114
ILE A 115
ALA A  99
 None
 1.02A 1sh9B-2hoqA:
undetectable		 1sh9B-2hoqA:
18.53
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 ARG A   8
ASP A  25
GLY A  27
ASP A  30
ILE A  32
PRO A  81
ALA A  82
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
 1.25A 1sh9B-2rkfA:
20.7		 1sh9B-2rkfA:
85.86
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) 		8 ASP A  25
GLY A  27
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ALA A  82
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
 0.54A 1sh9B-2rkfA:
20.7		 1sh9B-2rkfA:
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.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 GLY A 573
ASP A 568
ILE A 567
GLY A 455
ALA A 507
 None
 1.05A 1sh9B-2vdaA:
undetectable		 1sh9B-2vdaA:
7.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLY A 729
ASP A1180
GLY A 753
ILE A 754
ALA A 733
 None
 1.03A 1sh9B-2vdcA:
undetectable		 1sh9B-2vdcA:
6.08
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.
2y89 PHOSPHORIBOSYL
ISOMERASE A

(Mycobacterium
tuberculosis) 		PF00977
(His_biosynth) 		5 ASP A 171
GLY A 176
ASP A 184
GLY A 136
ILE A 134
 None
 0.99A 1sh9B-2y89A:
undetectable		 1sh9B-2y89A:
21.03
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.
2zyz PUTATIVE
UNCHARACTERIZED
PROTEIN PAE0789
TRNA-SPLICING
ENDONUCLEASE

(Pyrobaculum
aerophilum) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N)
no annotation 		5 GLY A  44
ASP B 146
ILE B 147
ILE B 142
ALA A  69
 None
 1.07A 1sh9B-2zyzA:
undetectable		 1sh9B-2zyzA:
19.35
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		6 ARG A 235
GLY A 173
ASP A  97
ILE A  95
GLY A 190
ILE A 196
 None
 1.27A 1sh9B-3a1iA:
undetectable		 1sh9B-3a1iA:
13.53
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.
3c7t ECDYSTEROID-PHOSPHAT
E PHOSPHATASE

(Bombyx mori) 		PF00300
(His_Phos_1) 		6 ARG A  73
GLY A 299
ASP A 265
ILE A 262
GLY A 259
ILE A 258
 None
None
None
CL  A 332 ( 4.3A)
None
None
 1.19A 1sh9B-3c7tA:
undetectable		 1sh9B-3c7tA:
18.36
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 318
ASP A 101
GLY A  94
PRO A 291
ALA A 292
 None
 1.04A 1sh9B-3dfhA:
undetectable		 1sh9B-3dfhA:
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.
3euh CHROMOSOME PARTITION
PROTEIN MUKF

(Escherichia
coli) 		PF03882
(KicB)
PF17192
(MukF_M)
PF17193
(MukF_C) 		5 ASP A 172
ILE A 171
ILE A 263
GLY A 267
ILE A 271
 None
 0.93A 1sh9B-3euhA:
undetectable		 1sh9B-3euhA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkr L-2-KETO-3-DEOXYARAB
ONATE DEHYDRATASE

(Azospirillum
brasilense) 		PF00701
(DHDPS) 		5 GLY A 222
ASP A 208
ILE A 183
GLY A 205
ALA A 165
 None
None
KPI  A 182 ( 3.8A)
None
None
 0.95A 1sh9B-3fkrA:
undetectable		 1sh9B-3fkrA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fo8 TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF17481
(Phage_sheath_1N) 		5 GLY D 258
ILE D 150
ILE D  99
GLY D  97
ALA D 152
 None
 1.04A 1sh9B-3fo8D:
undetectable		 1sh9B-3fo8D:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 GLY A 258
ILE A 150
ILE A  99
GLY A  97
ALA A 152
 None
 1.01A 1sh9B-3foaA:
undetectable		 1sh9B-3foaA:
12.27
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.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 129
GLY A 132
ILE A 174
PRO A 124
ALA A  48
 None
 1.07A 1sh9B-3g1uA:
undetectable		 1sh9B-3g1uA:
13.95
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A  18
GLY A  86
ILE A  27
GLY A 105
ILE A 103
 GOL  A 376 (-4.8A)
None
None
None
None
 1.06A 1sh9B-3gb0A:
undetectable		 1sh9B-3gb0A:
15.34
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.
3hee RIBOSE-5-PHOSPHATE
ISOMERASE

(Ruminiclostridium
thermocellum) 		PF02502
(LacAB_rpiB) 		5 GLY A  33
ILE A  18
ILE A  62
GLY A   4
ILE A  30
 None
 1.05A 1sh9B-3heeA:
undetectable		 1sh9B-3heeA:
22.39
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.
3hn6 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Borreliella
burgdorferi) 		PF01182
(Glucosamine_iso) 		5 GLY A  38
ILE A 202
GLY A 137
ILE A 144
ALA A 235
 None
 1.03A 1sh9B-3hn6A:
undetectable		 1sh9B-3hn6A:
17.61
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 GLY U 258
ILE U 150
ILE U  99
GLY U  97
ALA U 152
 None
 1.01A 1sh9B-3j2nU:
undetectable		 1sh9B-3j2nU:
10.83
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.
3jtf MAGNESIUM AND COBALT
EFFLUX PROTEIN

(Bordetella
parapertussis) 		PF00571
(CBS) 		5 GLY A 180
ASP A 120
ILE A 122
GLY A 184
ALA A 149
 None
 1.05A 1sh9B-3jtfA:
undetectable		 1sh9B-3jtfA:
21.80
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.
3k2i ACYL-COENZYME A
THIOESTERASE 4

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		5 GLY A 168
ILE A 231
GLY A 234
ILE A 237
ALA A 187
 None
 1.07A 1sh9B-3k2iA:
undetectable		 1sh9B-3k2iA:
16.22
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) 		6 ASP A  25
GLY A  27
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 None
 0.51A 1sh9B-3mwsA:
19.7		 1sh9B-3mwsA:
74.75
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) 		6 ASP A  25
GLY A  27
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.48A 1sh9B-3mwsA:
19.7		 1sh9B-3mwsA:
74.75
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.
3ngx BIFUNCTIONAL PROTEIN
FOLD

(Thermoplasma
acidophilum) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLY A 251
ILE A 219
GLY A 222
ILE A 223
ALA A 138
 None
 1.05A 1sh9B-3ngxA:
undetectable		 1sh9B-3ngxA:
14.55
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.
3nhv BH2092 PROTEIN

(Bacillus
halodurans) 		PF00581
(Rhodanese) 		5 ASP A  53
ILE A  65
ILE A 123
GLY A 121
ILE A 120
 None
 1.05A 1sh9B-3nhvA:
undetectable		 1sh9B-3nhvA:
21.13
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.
3o3w BH2092 PROTEIN

(Bacillus
halodurans) 		PF00581
(Rhodanese) 		5 ASP A  53
ILE A  65
ILE A 123
GLY A 121
ILE A 120
 None
 1.06A 1sh9B-3o3wA:
undetectable		 1sh9B-3o3wA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN

(Clostridium
acetobutylicum) 		PF01263
(Aldose_epim) 		5 GLY A 182
ILE A 107
GLY A 109
ILE A 111
PRO A  68
 None
 1.00A 1sh9B-3os7A:
undetectable		 1sh9B-3os7A:
14.62
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.
3p02 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 ARG A 221
GLY A 184
ILE A 197
GLY A 314
ILE A 293
 EDO  A   3 (-4.1A)
None
None
None
None
 0.99A 1sh9B-3p02A:
undetectable		 1sh9B-3p02A:
14.83
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.
3ph3 RIBOSE-5-PHOSPHATE
ISOMERASE

(Ruminiclostridium
thermocellum) 		PF02502
(LacAB_rpiB) 		5 GLY A  33
ILE A  18
ILE A  62
GLY A   4
ILE A  30
 None
 1.06A 1sh9B-3ph3A:
undetectable		 1sh9B-3ph3A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 310
ASP A 459
ILE A 460
GLY A 466
ALA A 503
 None
 0.97A 1sh9B-3q9tA:
undetectable		 1sh9B-3q9tA:
14.29
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) 		8 ASP A  25
GLY A  27
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ALA A  82
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
SO4  A 101 (-3.5A)
 0.83A 1sh9B-3t3cA:
18.9		 1sh9B-3t3cA:
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
GLY A  27
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.49A 1sh9B-3ttpA:
20.2		 1sh9B-3ttpA:
82.83
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) 		8 ASP A  25
GLY A  27
ASP A  30
ILE A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 ( 4.0A)
None
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.60A 1sh9B-3u7sA:
20.0		 1sh9B-3u7sA:
84.85
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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		5 GLY A 320
ILE A 256
ILE A 264
GLY A 239
ALA A 224
 None
 1.00A 1sh9B-3vsvA:
undetectable		 1sh9B-3vsvA:
13.43
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.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		5 ASP A 254
GLY A 255
ILE A 251
GLY A  20
ILE A  19
 None
 1.01A 1sh9B-3zq6A:
undetectable		 1sh9B-3zq6A:
18.75
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 ARG A 266
GLY A 138
ASP A 129
GLY A 101
ILE A 100
 None
 0.96A 1sh9B-4a3sA:
undetectable		 1sh9B-4a3sA:
14.71
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.
4aec CYSTEINE SYNTHASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 270
ILE A 157
GLY A 292
ILE A 294
PRO A 404
 None
None
PLP  A 500 (-3.6A)
None
PLP  A 500 (-4.2A)
 1.06A 1sh9B-4aecA:
undetectable		 1sh9B-4aecA:
12.50
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.
4esw PYRIMIDINE
BIOSYNTHESIS ENZYME
THI13

(Candida
albicans) 		PF09084
(NMT1) 		5 GLY A 142
ILE A 163
GLY A 159
ILE A 158
ALA A  63
 None
None
None
None
CIT  A 900 (-3.1A)
 1.01A 1sh9B-4eswA:
undetectable		 1sh9B-4eswA:
14.37
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.
4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN

(Candida
albicans;
Escherichia
coli) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		5 ASP A 568
ASP A 529
ILE A 530
ILE A 528
ILE A 488
 None
 0.99A 1sh9B-4h1gA:
undetectable		 1sh9B-4h1gA:
8.64
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		5 ASP A 207
GLY A 160
ILE A 159
PRO A 187
ALA A 196
 None
 0.86A 1sh9B-4hdjA:
undetectable		 1sh9B-4hdjA:
13.26
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 ARG A 266
GLY A 138
ASP A 129
GLY A 101
ILE A 100
 None
 0.96A 1sh9B-4i4iA:
undetectable		 1sh9B-4i4iA:
15.03
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.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 5 GLY A 416
ASP A 421
ILE A 206
ILE A 413
ALA A 425
 None
EGR  A 501 (-3.5A)
EGR  A 501 (-4.0A)
None
None
 1.00A 1sh9B-4j0kA:
undetectable		 1sh9B-4j0kA:
13.70
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.
4lq0 LAGLIDADG HOMING
ENDONUCLEASE

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		5 ASP A  53
GLY A 262
ILE A  60
ILE A  15
GLY A 176
 None
 1.07A 1sh9B-4lq0A:
undetectable		 1sh9B-4lq0A:
16.07
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.
4lsw D-2-HYDROXYACID
DEHYDROGENSASE
PROTEIN

(Ketogulonicigenium
vulgare) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 285
ILE A 232
ILE A 156
GLY A 102
ALA A 110
 None
 1.03A 1sh9B-4lswA:
undetectable		 1sh9B-4lswA:
14.92
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A 238
ILE A 224
GLY A 234
ILE A 134
ALA A 279
 None
 1.07A 1sh9B-4lxfA:
undetectable		 1sh9B-4lxfA:
10.54
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.
4mfv BETA-CATENIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF08216
(CTNNBL) 		5 ILE A 410
ILE A 382
GLY A 378
ILE A 376
ALA A 360
 None
 0.97A 1sh9B-4mfvA:
undetectable		 1sh9B-4mfvA:
10.49
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 ARG A   8
ASP A  25
GLY A  27
ASP A  30
ILE A  47
PRO A  81
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
 1.16A 1sh9B-4njvA:
20.1		 1sh9B-4njvA:
86.87
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
GLY A  27
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.52A 1sh9B-4njvA:
20.1		 1sh9B-4njvA:
86.87
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
GLY A  27
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.54A 1sh9B-4njvA:
20.1		 1sh9B-4njvA:
86.87
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.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASP B 162
GLY B 164
ILE B 145
GLY B 181
ALA B 148
 ADP  B 500 ( 3.4A)
None
None
None
None
 1.07A 1sh9B-4o27B:
undetectable		 1sh9B-4o27B:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oje EFF-1A

(Caenorhabditis
elegans) 		PF14884
(EFF-AFF) 		5 GLY H 415
ASP H 412
ILE H 410
ILE H 498
ALA H 458
 None
 0.95A 1sh9B-4ojeH:
undetectable		 1sh9B-4ojeH:
11.75
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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 ASP A 368
ILE A 343
ILE A 342
GLY A 364
ILE A 381
 None
 1.07A 1sh9B-4ozyA:
undetectable		 1sh9B-4ozyA:
14.92
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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		5 GLY X 261
ILE X  34
GLY X  38
ILE X  39
ALA X  45
 None
None
MIS  X  77 ( 3.4A)
None
None
 1.00A 1sh9B-4pkaX:
undetectable		 1sh9B-4pkaX:
13.76
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.
4qi3 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF16010
(CDH-cyt) 		5 GLY A  72
ILE A  80
GLY A  67
PRO A 102
ALA A  96
 None
None
HEM  A 401 (-3.5A)
HEM  A 401 ( 4.7A)
None
 1.07A 1sh9B-4qi3A:
undetectable		 1sh9B-4qi3A:
18.92
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.
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 GLY A 511
ASP A 506
ILE A 504
GLY A 754
ALA A 502
 None
 1.06A 1sh9B-4qiwA:
undetectable		 1sh9B-4qiwA:
7.20
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		5 ILE A 303
GLY A 143
ILE A 144
PRO A 300
ALA A 293
 None
 1.04A 1sh9B-4rk9A:
undetectable		 1sh9B-4rk9A:
19.54
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 ARG A 324
GLY A 186
ASP A 177
GLY A 126
ILE A 125
 None
None
ATP  A 801 ( 4.8A)
None
None
 1.01A 1sh9B-4u1rA:
undetectable		 1sh9B-4u1rA:
9.45
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.
4u8g PUTATIVE
UNCHARACTERIZED
PROTEIN GBS1891

(Streptococcus
agalactiae) 		PF13561
(adh_short_C2) 		5 ASP A  71
ILE A  78
GLY A  21
PRO A 126
ALA A 125
 None
 1.05A 1sh9B-4u8gA:
undetectable		 1sh9B-4u8gA:
15.75
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.
4uow OBSCURIN
TITIN

(Homo sapiens) 		PF07679
(I-set) 		5 GLY 1  89
ILE 0  14
ILE 0  94
ILE 0  65
ALA 1  93
 None
 1.07A 1sh9B-4uow1:
undetectable		 1sh9B-4uow1:
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 ASP A   8
GLY A  63
GLY A  67
ILE A 116
ALA A  13
 NA  A 302 (-3.6A)
None
None
None
NA  A 302 (-4.1A)
 0.93A 1sh9B-4y0wA:
undetectable		 1sh9B-4y0wA:
16.44
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.
4ym3 GALECTIN-4

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 ARG A 306
GLY A 281
ASP A 296
ILE A 208
ALA A 234
 None
 0.82A 1sh9B-4ym3A:
undetectable		 1sh9B-4ym3A:
17.88
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLY A 361
ILE A 367
GLY A 326
ILE A 207
ALA A 194
 HIS  A 501 (-3.8A)
None
None
None
None
 1.04A 1sh9B-4yrpA:
undetectable		 1sh9B-4yrpA:
15.36
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 GLY A 393
ILE A 339
ILE A 317
GLY A 313
ALA A 309
 None
 1.01A 1sh9B-5d6nA:
undetectable		 1sh9B-5d6nA:
12.29
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		5 GLY A 293
ASP A 288
ILE A 287
ILE A 324
ILE A 298
 None
 1.02A 1sh9B-5d9aA:
undetectable		 1sh9B-5d9aA:
9.84
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.
5gkx UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF14336
(DUF4392) 		6 ASP A 235
GLY A 236
ILE A 225
ILE A 228
GLY A 232
ALA A 242
 None
 1.42A 1sh9B-5gkxA:
undetectable		 1sh9B-5gkxA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		6 ARG A 225
GLY A 157
ASP A  81
ILE A  79
GLY A 174
ILE A 180
 None
 1.11A 1sh9B-5h6sA:
undetectable		 1sh9B-5h6sA:
11.11
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.
5ibz UNCHARACTERIZED
PROTEIN

(uncultured
organism) 		PF04199
(Cyclase) 		5 ASP A 266
GLY A 223
GLY A 246
ILE A 196
ALA A 264
 None
 0.80A 1sh9B-5ibzA:
undetectable		 1sh9B-5ibzA:
15.65
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ARG A 632
GLY A 659
ILE A 697
ILE A 607
ALA A 699
 None
 0.98A 1sh9B-5im3A:
undetectable		 1sh9B-5im3A:
7.88
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 GLY F  14
ILE F  60
GLY F  62
ILE E  17
PRO F 374
 None
None
None
None
NFU  F 501 (-3.5A)
 0.93A 1sh9B-5odrF:
undetectable		 1sh9B-5odrF:
12.69
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 ARG A   8
ASP A  25
GLY A  27
ASP A  30
ILE A  47
PRO A  81
 None
 1.11A 1sh9B-5t2zA:
20.9		 1sh9B-5t2zA:
83.84
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) 		7 ASP A  25
GLY A  27
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.42A 1sh9B-5t2zA:
20.9		 1sh9B-5t2zA:
83.84
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobacter
sp. CaT2) 		PF00384
(Molybdopterin) 		5 ARG B 288
ASP B  18
ILE B  19
GLY B  38
ILE B  37
 None
None
None
SF4  B 501 ( 4.0A)
SF4  B 501 (-4.5A)
 1.05A 1sh9B-5t5iB:
undetectable		 1sh9B-5t5iB:
12.80
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A   9
ILE A 111
ILE A 286
GLY A 116
ILE A 117
 FAD  A 401 ( 4.7A)
None
None
FAD  A 401 (-4.0A)
FAD  A 401 (-4.8A)
 0.70A 1sh9B-5twbA:
undetectable		 1sh9B-5twbA:
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.
5tzq BCL-2-LIKE PROTEIN
FPV039

(Fowlpox virus) 		PF00452
(Bcl-2) 		5 ASP A 119
ILE A 117
ILE A 113
GLY A 111
ALA A  14
 None
 0.99A 1sh9B-5tzqA:
undetectable		 1sh9B-5tzqA:
19.08
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.
5vbf NAD-DEPENDENT
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
vietnamiensis) 		PF00171
(Aldedh) 		5 GLY A 212
ASP A  50
ILE A  16
ILE A 190
ALA A 152
 None
 1.00A 1sh9B-5vbfA:
undetectable		 1sh9B-5vbfA:
11.78
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY A 264
ILE A 357
GLY A 259
ILE A 260
PRO A 353
 None
 0.93A 1sh9B-5vj7A:
undetectable		 1sh9B-5vj7A:
15.26
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.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 5 ARG A 268
GLY A 140
ASP A 129
GLY A 101
ILE A 100
 None
 1.05A 1sh9B-5xoeA:
undetectable		 1sh9B-5xoeA:
21.50
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.
5xsx CHITINASE

(Thermococcus
chitonophagus) 		no annotation 5 ASP A 487
ILE A 488
GLY A 484
ILE A 483
ALA A 530
 GOL  A1004 (-3.5A)
None
None
None
None
 1.01A 1sh9B-5xsxA:
undetectable		 1sh9B-5xsxA:
26.17
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.
6fea NITROGENASE PROTEIN
ALPHA CHAIN

(Azotobacter
vinelandii) 		no annotation 5 ASP A 384
GLY A 385
ILE A  34
ILE A  12
ALA A  38
 None
 1.06A 1sh9B-6feaA:
undetectable		 1sh9B-6feaA:
25.74
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
GLY A  27
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.82A 1sh9B-6upjA:
18.7		 1sh9B-6upjA:
48.48