SIMILAR PATTERNS OF AMINO ACIDS FOR 3EM4_V_DR7V100_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.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 ARG A  52
GLY A  11
GLY A  14
LEU A  17
VAL A  47
 None
NAD  A 380 (-3.3A)
None
None
None
 0.95A 3em4V-1bxkA:
undetectable		 3em4V-1bxkA:
12.81
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.
1ffv CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ASP C  80
ILE C  63
GLY C  62
LEU C  60
ILE C 112
 None
 0.75A 3em4V-1ffvC:
undetectable		 3em4V-1ffvC:
13.88
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 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.54A 3em4V-1hvcA:
14.2		 3em4V-1hvcA:
47.29
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 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.50A 3em4V-1hvcA:
14.2		 3em4V-1hvcA:
47.29
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) 		5 ASP A  25
ASP A  29
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.95A 3em4V-1hvcA:
14.2		 3em4V-1hvcA:
47.29
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) 		5 ASP A  25
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.72A 3em4V-1hvcA:
14.2		 3em4V-1hvcA:
47.29
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.
1id0 PHOQ HISTIDINE
KINASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ILE A 420
GLY A 419
GLY A 469
LEU A 467
VAL A 412
 ANP  A 487 (-4.7A)
ANP  A 487 (-4.3A)
None
None
None
 1.02A 3em4V-1id0A:
undetectable		 3em4V-1id0A:
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.
1m9u EARTHWORM
FIBRINOLYTIC ENZYME

(Eisenia fetida) 		PF00089
(Trypsin) 		5 ASP A 185
ILE A  17
GLY A  18
GLY A  19
ILE A 138
 None
 0.99A 3em4V-1m9uA:
undetectable		 3em4V-1m9uA:
16.46
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.
1nrz PTS SYSTEM,
SORBOSE-SPECIFIC IIB
COMPONENT

(Klebsiella
pneumoniae) 		PF03830
(PTSIIB_sorb) 		5 ASP A 127
ILE A   9
GLY A 107
VAL A 152
ILE A 154
 None
 1.05A 3em4V-1nrzA:
undetectable		 3em4V-1nrzA:
21.21
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.
1q40 MRNA TRANSPORT
REGULATOR MTR2

(Candida
albicans) 		PF10429
(Mtr2) 		5 ILE A 163
GLY A  43
LEU A  42
VAL A  54
ILE A  52
 None
 0.83A 3em4V-1q40A:
undetectable		 3em4V-1q40A:
17.71
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.
1qag UTROPHIN ACTIN
BINDING REGION

(Homo sapiens) 		PF00307
(CH) 		5 ARG A  64
ILE A 110
GLY A 111
GLY A 112
LEU A  90
 None
 1.02A 3em4V-1qagA:
undetectable		 3em4V-1qagA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s58 B19 PARVOVIRUS
CAPSID

(Primate
erythroparvovirus
1) 		PF00740
(Parvo_coat) 		5 ARG A 148
ASP A  49
LEU A 478
VAL A 128
ILE A 460
 None
 1.04A 3em4V-1s58A:
undetectable		 3em4V-1s58A:
11.78
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 ARG A   8
ASP A  25
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
 0.64A 3em4V-1sivA:
18.8		 3em4V-1sivA:
48.48
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.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		5 ASP A  19
ILE A  17
GLY A  14
GLY A 262
ILE A 248
 None
 1.03A 3em4V-1t5jA:
undetectable		 3em4V-1t5jA:
14.52
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ASP A 537
GLY A 532
GLY A 529
PRO A 475
VAL A 474
 None
 1.07A 3em4V-1yr2A:
undetectable		 3em4V-1yr2A:
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 ASP A 368
GLY A 322
LEU A 389
VAL A 380
ILE A 376
 ATP  A1001 (-3.3A)
ATP  A1001 ( 3.9A)
None
None
None
 1.06A 3em4V-1z7eA:
undetectable		 3em4V-1z7eA:
10.19
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 113
GLY A 134
LEU A 138
VAL A 198
ILE A 105
 None
FAD  A 600 (-3.7A)
FAD  A 600 (-3.9A)
None
None
 1.09A 3em4V-2bvgA:
undetectable		 3em4V-2bvgA:
13.64
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 ILE A 243
GLY A 244
GLY A 245
LEU A 246
VAL A 238
 None
 0.97A 3em4V-2cevA:
undetectable		 3em4V-2cevA:
18.08
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.
2dh8 DAZ-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ASP A  18
ILE A  80
GLY A  16
VAL A  40
ILE A  41
 None
 1.04A 3em4V-2dh8A:
undetectable		 3em4V-2dh8A:
20.91
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 ASP A 197
GLY A 233
GLY A 234
LEU A 235
VAL A 101
 PLP  A 510 (-2.8A)
None
None
None
None
 1.08A 3em4V-2dkjA:
undetectable		 3em4V-2dkjA:
14.00
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) 		9 ARG A   8
ASP A  25
ASP A  29
ILE A  53
GLY A  54
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.65A 3em4V-2fmbA:
15.2		 3em4V-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) 		5 ASP A  25
ASP A  29
GLY A  55
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.02A 3em4V-2fmbA:
15.2		 3em4V-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.
2gdq YITF

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 142
ASP A 190
ILE A 162
GLY A 163
GLY A 164
 None
 1.04A 3em4V-2gdqA:
undetectable		 3em4V-2gdqA:
12.20
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.
2gml RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE F

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		5 ASP A  42
GLY A  47
LEU A  48
VAL A  29
ILE A  25
 None
 1.04A 3em4V-2gmlA:
undetectable		 3em4V-2gmlA:
18.49
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.
2j1u FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		5 ASP A  71
GLY A  74
LEU A  75
VAL A  94
ILE A 129
 None
 0.97A 3em4V-2j1uA:
undetectable		 3em4V-2j1uA:
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 ASP A  48
ILE A  82
GLY A  83
GLY A  84
ILE A  97
 None
 1.07A 3em4V-2p4zA:
undetectable		 3em4V-2p4zA:
15.05
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.
2qhk METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Vibrio
parahaemolyticus) 		PF17200
(sCache_2) 		5 ILE A 149
GLY A 148
GLY A 133
LEU A 116
ILE A  18
 None
 1.04A 3em4V-2qhkA:
undetectable		 3em4V-2qhkA:
20.11
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.
2qxt LIPASE

(Bacillus
subtilis) 		PF01674
(Lipase_2) 		5 GLY A 176
GLY A 172
LEU A 173
VAL A 165
ILE A 128
 None
 1.07A 3em4V-2qxtA:
undetectable		 3em4V-2qxtA:
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.
2rb9 HYPE PROTEIN

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ARG A 334
ASP A 199
GLY A  69
GLY A  70
ILE A 183
 None
 0.99A 3em4V-2rb9A:
undetectable		 3em4V-2rb9A:
16.16
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
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.43A 3em4V-2rkfA:
20.5		 3em4V-2rkfA:
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.
2vsg VARIANT SURFACE
GLYCOPROTEIN ILTAT
1.24

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 ILE A 107
GLY A 106
GLY A 208
LEU A 209
PRO A 223
 None
 1.01A 3em4V-2vsgA:
undetectable		 3em4V-2vsgA:
13.84
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 851
ASP A 779
ILE A 777
GLY A 774
GLY A 377
 None
 1.00A 3em4V-2yn9A:
undetectable		 3em4V-2yn9A:
6.76
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.
2ze3 DFA0005

(Deinococcus
ficus) 		PF13714
(PEP_mutase) 		5 ASP A  82
ILE A  47
GLY A  46
LEU A 235
ILE A  71
 AKG  A 276 (-2.9A)
None
None
None
None
 1.03A 3em4V-2ze3A:
undetectable		 3em4V-2ze3A:
14.98
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.
2zyi LIPASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF00561
(Abhydrolase_1) 		5 ARG A 361
GLY A 356
LEU A 358
VAL A 379
ILE A 442
 None
 1.08A 3em4V-2zyiA:
undetectable		 3em4V-2zyiA:
13.39
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.
3fo8 TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF17481
(Phage_sheath_1N) 		5 ASP D 114
ILE D 182
LEU D 178
VAL D 134
ILE D 131
 None
 0.93A 3em4V-3fo8D:
undetectable		 3em4V-3fo8D:
16.79
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 ASP A 114
ILE A 182
LEU A 178
VAL A 134
ILE A 131
 None
 1.06A 3em4V-3foaA:
undetectable		 3em4V-3foaA:
12.25
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.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		5 ASP A 200
GLY A 236
GLY A 237
LEU A 238
VAL A 105
 None
 1.04A 3em4V-3g8mA:
undetectable		 3em4V-3g8mA:
15.29
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.
3gge PDZ
DOMAIN-CONTAINING
PROTEIN GIPC2

(Homo sapiens) 		PF00595
(PDZ) 		5 ASP A 177
ILE A 170
GLY A 172
GLY A 137
ILE A 131
 None
 0.91A 3em4V-3ggeA:
undetectable		 3em4V-3ggeA:
21.36
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 307
GLY A 384
LEU A 387
PRO A 355
VAL A 356
 None
 1.01A 3em4V-3hz6A:
undetectable		 3em4V-3hz6A:
10.82
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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		6 ILE A1963
GLY A1935
GLY A1934
LEU A1933
VAL A2107
ILE A2104
 None
 1.12A 3em4V-3ilsA:
undetectable		 3em4V-3ilsA:
18.15
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ASP U 114
ILE U 182
LEU U 178
VAL U 134
ILE U 131
 None
 1.06A 3em4V-3j2nU:
undetectable		 3em4V-3j2nU:
10.03
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.
3lo0 INORGANIC
PYROPHOSPHATASE

(Ehrlichia
chaffeensis) 		PF00719
(Pyrophosphatase) 		5 GLY A  92
LEU A 165
PRO A  13
VAL A  12
ILE A  16
 None
 1.01A 3em4V-3lo0A:
undetectable		 3em4V-3lo0A:
17.10
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) 		5 ASP A  25
ASP A  29
GLY A  49
VAL A  82
ILE A  84
 None
 1.00A 3em4V-3mwsA:
19.7		 3em4V-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) 		8 ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.50A 3em4V-3mwsA:
19.7		 3em4V-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.
3n5m ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ILE A 227
GLY A 226
GLY A 225
VAL A 254
ILE A 255
 None
 1.05A 3em4V-3n5mA:
undetectable		 3em4V-3n5mA:
11.65
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		5 GLY A  38
GLY A  39
LEU A  40
VAL A  77
ILE A  71
 None
AUC  A 624 ( 4.2A)
AUC  A 624 (-4.2A)
None
None
 1.05A 3em4V-3odmA:
undetectable		 3em4V-3odmA:
10.75
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) 		5 ASP A  25
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.71A 3em4V-3t3cA:
18.5		 3em4V-3t3cA:
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.
3te6 REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 816
GLY A 821
GLY A 822
LEU A 828
ILE A 776
 None
 0.97A 3em4V-3te6A:
undetectable		 3em4V-3te6A:
16.40
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 ARG A   8
ASP A  25
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.59A 3em4V-3ttpA:
19.6		 3em4V-3ttpA:
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) 		7 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.52A 3em4V-3u7sA:
20.0		 3em4V-3u7sA:
77.78
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 ARG A   8
ASP A  25
ASP A  29
PRO A  81
VAL A  82
 None
 0.89A 3em4V-3uhlA:
16.1		 3em4V-3uhlA:
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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ARG A  54
ILE A  18
GLY A  17
GLY A  16
VAL A  82
 None
 0.99A 3em4V-3uxyA:
undetectable		 3em4V-3uxyA:
15.93
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.
3vtz GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF13561
(adh_short_C2) 		5 ASP A  39
GLY A  14
GLY A  13
VAL A  60
ILE A  52
 None
 1.04A 3em4V-3vtzA:
undetectable		 3em4V-3vtzA:
16.67
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A  78
GLY A  16
GLY A  15
LEU A  14
VAL A 440
 ZN  A1556 (-2.5A)
None
None
None
None
 0.95A 3em4V-3zq4A:
undetectable		 3em4V-3zq4A:
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 GLY A  81
GLY A  82
LEU A  86
VAL A 440
ILE A 442
 None
 0.88A 3em4V-3zq4A:
undetectable		 3em4V-3zq4A:
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 ILE A 171
GLY A 170
LEU A  42
VAL A 136
ILE A 122
 None
 1.04A 3em4V-4a9aA:
undetectable		 3em4V-4a9aA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4acq ALPHA-2-MACROGLOBULI
N

(Homo sapiens) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 ILE A 379
GLY A 403
LEU A 404
VAL A 421
ILE A 384
 None
 0.97A 3em4V-4acqA:
undetectable		 3em4V-4acqA:
5.39
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 ASP A 541
ILE A 545
GLY A 547
GLY A 636
LEU A 638
 None
 0.95A 3em4V-4av6A:
undetectable		 3em4V-4av6A:
8.66
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 537
ILE A 611
GLY A 610
PRO A 445
ILE A 468
 THG  A1652 (-3.4A)
THG  A1652 (-4.2A)
None
None
None
 1.09A 3em4V-4cczA:
undetectable		 3em4V-4cczA:
11.07
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 ILE A 293
GLY A 290
GLY A 323
LEU A 322
ILE A 305
 None
 1.07A 3em4V-4f7aA:
undetectable		 3em4V-4f7aA:
11.15
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.
4gl8 OLIGOPEPTIDE ABC
TRANSPORTER OPPAIV

(Borreliella
burgdorferi) 		PF00496
(SBP_bac_5) 		5 ILE A  49
GLY A  54
GLY A  56
VAL A 179
ILE A 184
 None
 1.08A 3em4V-4gl8A:
undetectable		 3em4V-4gl8A:
9.48
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.
4k5y CORTICOTROPIN-RELEAS
ING FACTOR RECEPTOR
1, T4-LYSOZYME
CHIMERIC CONSTRUCT

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 ASP A 269
ILE A 271
GLY A 249
LEU A 251
ILE A 243
 None
 1.06A 3em4V-4k5yA:
undetectable		 3em4V-4k5yA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		5 ASP A 304
GLY A  81
GLY A  82
VAL A 146
ILE A 161
 None
 1.02A 3em4V-4kvfA:
undetectable		 3em4V-4kvfA:
13.54
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		5 ASP A  97
GLY A 138
LEU A 171
VAL A 160
ILE A 141
 None
 1.02A 3em4V-4lx4A:
undetectable		 3em4V-4lx4A:
16.83
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.
4mt0 MTRE PROTEIN

(Neisseria
gonorrhoeae) 		PF02321
(OEP) 		5 ASP A 283
ASP A 159
GLY A 458
GLY A 457
LEU A 455
 None
 1.00A 3em4V-4mt0A:
undetectable		 3em4V-4mt0A:
11.16
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.
4nen INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		5 ASP B 151
ASP B 250
ILE B 256
GLY B 254
LEU B 155
 CA  B 705 (-3.4A)
None
None
None
None
 1.09A 3em4V-4nenB:
undetectable		 3em4V-4nenB:
10.14
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 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3em4V-4njvA:
20.5		 3em4V-4njvA:
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.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		5 ASP A 201
GLY A 237
GLY A 238
LEU A 239
VAL A 105
 None
 1.04A 3em4V-4p3mA:
undetectable		 3em4V-4p3mA:
12.86
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.
4py9 PUTATIVE
EXOPOLYPHOSPHATASE-R
ELATED PROTEIN

(Bacteroides
fragilis) 		PF01368
(DHH) 		5 ASP A  99
ILE A  37
GLY A  38
VAL A  54
ILE A  26
 None
 0.95A 3em4V-4py9A:
undetectable		 3em4V-4py9A:
13.12
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.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 ASP A  99
ILE A  65
LEU A  90
VAL A  81
ILE A 104
 None
 1.08A 3em4V-4qgsA:
undetectable		 3em4V-4qgsA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ASP A 548
GLY A 413
GLY A 422
PRO A 494
VAL A 556
 None
None
ACT  A 802 (-4.0A)
None
None
 0.95A 3em4V-4rf7A:
undetectable		 3em4V-4rf7A:
9.65
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.
4rhm ARGINASE

(Trypanosoma
brucei) 		PF00491
(Arginase) 		5 GLY A 242
GLY A 243
LEU A 228
VAL A 176
ILE A 202
 None
 1.05A 3em4V-4rhmA:
undetectable		 3em4V-4rhmA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Streptococcus
thermophilus) 		PF00464
(SHMT) 		5 ASP A 195
GLY A 231
GLY A 232
LEU A 233
VAL A  99
 None
 1.02A 3em4V-4wxbA:
undetectable		 3em4V-4wxbA:
15.52
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.
4xdy KETOL-ACID
REDUCTOISOMERASE

(uncultured
archaeon
GZfos26G2) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ASP A  72
GLY A  45
PRO A  86
VAL A  89
ILE A  93
 None
None
NAI  A 403 (-3.6A)
NAI  A 403 (-4.8A)
None
 0.79A 3em4V-4xdyA:
undetectable		 3em4V-4xdyA:
14.20
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 ASP A 382
ILE A 403
GLY A 442
LEU A 461
PRO A 126
 None
 1.02A 3em4V-4xwhA:
undetectable		 3em4V-4xwhA:
8.70
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		6 ARG A  99
ASP A  88
GLY A  26
GLY A  25
LEU A  24
VAL A 453
 None
ZN  A 602 (-2.7A)
None
None
None
None
 1.12A 3em4V-4xwtA:
undetectable		 3em4V-4xwtA:
11.74
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) 		5 ARG A  10
ASP A  32
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.71A 3em4V-4ydfA:
13.1		 3em4V-4ydfA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 365
ILE C 140
GLY C 161
GLY C 162
ILE C 143
 NI  C 602 ( 1.9A)
None
None
None
None
 1.01A 3em4V-4z42C:
undetectable		 3em4V-4z42C:
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A1161
GLY A1133
GLY A1132
LEU A1131
ILE A1311
 None
 0.88A 3em4V-4zxiA:
undetectable		 3em4V-4zxiA:
5.63
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A  88
GLY A  26
GLY A  25
LEU A  24
VAL A 449
 ZN  A1457 (-2.7A)
None
None
None
None
 1.01A 3em4V-5a0tA:
undetectable		 3em4V-5a0tA:
9.27
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 485
GLY A 484
GLY A 483
LEU A 482
PRO A 549
 None
 1.00A 3em4V-5a7mA:
undetectable		 3em4V-5a7mA:
8.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
 1.20A 3em4V-5b18A:
18.3		 3em4V-5b18A:
75.76
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.
5ee2 HEMOGLOBIN-HAPTOGLOB
IN-UTILIZATION
PROTEIN

(Neisseria
gonorrhoeae) 		PF16960
(HpuA) 		5 ILE A 305
GLY A 306
GLY A 307
VAL A 262
ILE A 264
 None
 0.84A 3em4V-5ee2A:
undetectable		 3em4V-5ee2A:
23.60
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 ARG A  98
ASP A 307
GLY A 301
PRO A  81
ILE A 119
 None
 0.98A 3em4V-5gz1A:
undetectable		 3em4V-5gz1A:
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.
5h5y NON-LEE ENCODED
EFFECTOR PROTEIN
NLEB

(Escherichia
coli) 		no annotation 5 GLY A 287
GLY A 267
LEU A 268
VAL A 256
ILE A 254
 None
 1.06A 3em4V-5h5yA:
undetectable		 3em4V-5h5yA:
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.
5hj5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		5 ASP A 195
ILE A 188
GLY A 189
LEU A 153
ILE A 199
 None
 1.05A 3em4V-5hj5A:
undetectable		 3em4V-5hj5A:
18.05
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.
5hmm EXODEOXYRIBONUCLEASE

(Escherichia
virus T5) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		5 ASP A 130
GLY A  67
GLY A  27
LEU A  30
ILE A  24
 MG  A 302 ( 2.7A)
None
None
None
None
 1.03A 3em4V-5hmmA:
undetectable		 3em4V-5hmmA:
17.20
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB6
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB7

(Homo sapiens) 		PF00575
(S1)
PF00623
(RNA_pol_Rpb1_2)
PF01192
(RNA_pol_Rpb6)
PF03876
(SHS2_Rpb7-N)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP F 117
ASP A1472
ILE G  59
GLY G  57
ILE F 105
 None
 1.06A 3em4V-5iy9F:
undetectable		 3em4V-5iy9F:
21.37
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		6 ILE L 122
GLY L 123
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.2A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.09A 3em4V-5jfcL:
undetectable		 3em4V-5jfcL:
12.86
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.
5k8c 3-DEOXY-ALPHA-D-MANN
O-OCTULOSONATE
8-OXIDASE

(Shewanella
oneidensis) 		PF00465
(Fe-ADH) 		5 ILE A 138
GLY A  96
LEU A  40
VAL A  56
ILE A  54
 None
 0.85A 3em4V-5k8cA:
undetectable		 3em4V-5k8cA:
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 ARG C 365
ASP C 352
GLY C 114
GLY C 216
ILE C 357
 None
 1.00A 3em4V-5mg5C:
undetectable		 3em4V-5mg5C:
20.39
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 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.51A 3em4V-5t2zA:
19.8		 3em4V-5t2zA:
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		6 ILE A 122
GLY A 123
GLY A  98
PRO A  57
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.3A)
SF4  A 501 ( 4.4A)
None
None
SF4  A 501 ( 4.6A)
 1.13A 3em4V-5vj7A:
undetectable		 3em4V-5vj7A:
11.76
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.
5x5s AMYLASE

(uncultured
bacterium) 		no annotation 5 ASP A 117
ASP A  97
GLY A 112
GLY A 113
VAL A  46
 None
 0.90A 3em4V-5x5sA:
undetectable		 3em4V-5x5sA:
21.85
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.
5xhu FERREDOXIN--NADP
REDUCTASE

(Bacillus
subtilis) 		no annotation 6 ARG A 206
ASP A 169
GLY A 164
GLY A 163
VAL A 159
ILE A 160
 None
 1.36A 3em4V-5xhuA:
undetectable		 3em4V-5xhuA:
21.00
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.
5yjp HUMAN CHYMASE

(Homo sapiens) 		no annotation 5 GLY A  43
GLY A  44
LEU A  53
VAL A  85
ILE A  64
 None
 1.08A 3em4V-5yjpA:
undetectable		 3em4V-5yjpA:
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 ILE A 366
GLY A 365
PRO A 361
VAL A 351
ILE A 350
 None
 1.08A 3em4V-6axeA:
undetectable		 3em4V-6axeA:
9.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 534
ILE A 523
GLY A 524
GLY A 525
VAL A 479
 None
 1.00A 3em4V-6c26A:
undetectable		 3em4V-6c26A:
18.10
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 ARG A   8
ASP A  25
ASP A  29
GLY A  48
GLY A  49
PRO A  81
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
None
 0.89A 3em4V-6upjA:
18.1		 3em4V-6upjA:
48.48
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
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
None
None
 0.67A 3em4V-6upjA:
18.1		 3em4V-6upjA:
48.48