SIMILAR PATTERNS OF AMINO ACIDS FOR 3OGP_B_017B200_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.
1d2f MALY PROTEIN

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ALA A 341
ILE A 343
GLY A 381
ILE A 383
LEU A 338
 None
 1.06A 3ogpA-1d2fA:
0.0		 3ogpA-1d2fA:
14.36
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.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 LEU A 333
GLY A 623
ILE A 622
VAL A 526
LEU A 520
 None
 1.04A 3ogpA-1dlcA:
0.0		 3ogpA-1dlcA:
11.13
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.
1dxx DYSTROPHIN

(Homo sapiens) 		PF00307
(CH) 		5 LEU A  53
ALA A  80
GLY A  95
ILE A  94
LEU A  50
 None
 0.83A 3ogpA-1dxxA:
undetectable		 3ogpA-1dxxA:
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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		5 ALA A 534
ILE A 536
GLY A 528
ILE A 527
LEU A 274
 None
 0.91A 3ogpA-1ehkA:
undetectable		 3ogpA-1ehkA:
11.46
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.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ALA A 289
GLY A 282
SER A 523
VAL A 522
LEU A 498
 None
 1.03A 3ogpA-1gz4A:
0.0		 3ogpA-1gz4A:
13.15
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 LEU A 382
ALA A 390
GLY A 226
ILE A 227
LEU A 394
 None
 1.05A 3ogpA-1gz5A:
undetectable		 3ogpA-1gz5A:
12.75
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  48
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
 0.81A 3ogpA-1hvcA:
9.9		 3ogpA-1hvcA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  48
VAL A  82
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
 0.93A 3ogpA-1hvcA:
9.9		 3ogpA-1hvcA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.60A 3ogpA-1hvcA:
9.9		 3ogpA-1hvcA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.63A 3ogpA-1hvcA:
9.9		 3ogpA-1hvcA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
ILE A  50
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
 0.65A 3ogpA-1hvcA:
9.9		 3ogpA-1hvcA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
ILE A  50
VAL A  82
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
 0.69A 3ogpA-1hvcA:
9.9		 3ogpA-1hvcA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 LEU A 209
ALA A 136
ILE A 134
GLY A 183
VAL A 231
 None
 1.02A 3ogpA-1hylA:
1.3		 3ogpA-1hylA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ipi HOLLIDAY JUNCTION
RESOLVASE

(Pyrococcus
furiosus) 		PF01870
(Hjc) 		5 LEU A  12
ALA A  36
GLY A  74
ILE A  75
VAL A  47
 None
 0.93A 3ogpA-1ipiA:
0.0		 3ogpA-1ipiA:
23.91
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		6 LEU A 239
ALA A 204
ILE A 206
GLY A 192
ILE A 214
LEU A   4
 None
None
None
None
PO4  A1002 (-4.4A)
None
 1.25A 3ogpA-1ixpA:
0.0		 3ogpA-1ixpA:
19.92
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.
1kut PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Thermotoga
maritima) 		PF01259
(SAICAR_synt) 		5 LEU A  19
ALA A  44
ILE A 187
VAL A  74
LEU A  72
 None
 1.00A 3ogpA-1kutA:
undetectable		 3ogpA-1kutA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 LEU A 436
ALA A 342
GLY A 298
ILE A 280
LEU A 343
 None
 1.06A 3ogpA-1lamA:
undetectable		 3ogpA-1lamA:
11.90
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 ALA A 123
GLY A 814
ILE A 815
VAL A  69
LEU A  97
 None
None
UPL  A2014 ( 4.6A)
None
None
 0.99A 3ogpA-1lshA:
undetectable		 3ogpA-1lshA:
7.52
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ILE A 532
GLY A 564
ILE A 492
VAL A 510
LEU A 526
 None
 1.00A 3ogpA-1ot5A:
undetectable		 3ogpA-1ot5A:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1py5 TGF-BETA RECEPTOR
TYPE I

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		5 LEU A 495
ALA A 306
MET A 404
GLY A 405
LEU A 492
 None
 1.01A 3ogpA-1py5A:
undetectable		 3ogpA-1py5A:
17.75
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.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
 0.53A 3ogpA-1sivA:
15.7		 3ogpA-1sivA:
28.33
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.
1txg GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Archaeoglobus
fulgidus) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ALA A 190
GLY A 184
ILE A 232
VAL A 114
LEU A 107
 None
 1.01A 3ogpA-1txgA:
undetectable		 3ogpA-1txgA:
14.93
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		6 LEU A   4
ALA A 135
ILE A  79
GLY A  22
ILE A  21
LEU A  10
 None
 1.50A 3ogpA-1umfA:
undetectable		 3ogpA-1umfA:
16.35
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.
2aka DYNAMIN-1

(Rattus
norvegicus) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 LEU B 181
ALA B 186
ILE B 189
ILE B 201
LEU B 187
 None
 0.97A 3ogpA-2akaB:
undetectable		 3ogpA-2akaB:
15.81
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		6 LEU B 645
ALA B 659
ILE B 657
ILE B 666
VAL B 684
LEU B 648
 None
 1.40A 3ogpA-2bkuB:
undetectable		 3ogpA-2bkuB:
8.36
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.
2c7i PUTATIVE LIPOATE
PROTEIN LIGASE

(Thermoplasma
acidophilum) 		PF03099
(BPL_LplA_LipB) 		5 LEU A 119
ALA A 213
ILE A 207
VAL A 203
LEU A 117
 None
 1.01A 3ogpA-2c7iA:
undetectable		 3ogpA-2c7iA:
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 LEU A 262
ILE A 249
MET A 274
GLY A 275
ILE A 277
LEU A 271
 None
 1.41A 3ogpA-2cf5A:
undetectable		 3ogpA-2cf5A:
16.61
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.
2cg8 DIHYDRONEOPTERIN
ALDOLASE
6-HYDROXYMETHYL-7,8-
DIHYDROPTERIN
SYNTHASE

(Streptococcus
pneumoniae) 		PF01288
(HPPK)
PF02152
(FolB) 		5 LEU A  79
ALA A  32
ILE A  33
ILE A  29
LEU A  95
 None
 0.94A 3ogpA-2cg8A:
undetectable		 3ogpA-2cg8A:
16.22
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.
2fa0 HMG-COA SYNTHASE

(Brassica juncea) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 LEU A  65
ALA A 166
ILE A  12
ILE A 169
LEU A  64
 None
 0.92A 3ogpA-2fa0A:
undetectable		 3ogpA-2fa0A:
15.54
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 LEU A  23
ASP A  25
ALA A  28
GLY A  54
VAL A  87
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 ( 4.9A)
 0.62A 3ogpA-2fmbA:
15.4		 3ogpA-2fmbA:
33.05
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 LEU A  23
ASP A  25
ALA A  28
GLY A  55
VAL A  87
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
 0.64A 3ogpA-2fmbA:
15.4		 3ogpA-2fmbA:
33.05
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		6 ALA A 118
ILE A 115
MET A  93
GLY A  91
ILE A  60
LEU A 117
 None
 1.42A 3ogpA-2gzxA:
undetectable		 3ogpA-2gzxA:
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.
2iya OLEANDOMYCIN
GLYCOSYLTRANSFERASE

(Streptomyces
antibioticus) 		PF00201
(UDPGT) 		5 ALA A 413
GLY A 418
ILE A 419
VAL A  43
LEU A  36
 None
 0.83A 3ogpA-2iyaA:
undetectable		 3ogpA-2iyaA:
13.40
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.
2ld4 ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 LEU A 119
ALA A  84
ILE A  62
VAL A 127
LEU A 124
 None
 0.91A 3ogpA-2ld4A:
undetectable		 3ogpA-2ld4A:
22.54
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.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 LEU A 567
ALA A 582
GLY A 548
ILE A 547
LEU A 564
 None
 1.02A 3ogpA-2pkgA:
undetectable		 3ogpA-2pkgA:
13.51
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.
2q1z ANTI-SIGMA FACTOR
CHRR,
TRANSCRIPTIONAL
ACTIVATOR CHRR

(Rhodobacter
sphaeroides) 		PF12973
(Cupin_7)
PF13490
(zf-HC2) 		5 ALA B 192
GLY B 145
SER B   8
VAL B   7
LEU B 148
 None
 1.01A 3ogpA-2q1zB:
undetectable		 3ogpA-2q1zB:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.65A 3ogpA-2rkfA:
15.1		 3ogpA-2rkfA:
27.73
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.
3c5w PP2A A SUBUNIT

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 LEU A 567
ALA A 582
GLY A 548
ILE A 547
LEU A 564
 None
 0.89A 3ogpA-3c5wA:
undetectable		 3ogpA-3c5wA:
18.39
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 ASP A 552
ALA A 551
ILE A 613
SER A 609
VAL A 571
 None
 0.93A 3ogpA-3eqnA:
undetectable		 3ogpA-3eqnA:
10.08
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.
3g79 NDP-N-ACETYL-D-GALAC
TOSAMINURONIC ACID
DEHYDROGENASE

(Methanosarcina
mazei) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 LEU A  11
GLY A 201
ILE A 202
SER A   6
LEU A  12
 None
 1.03A 3ogpA-3g79A:
undetectable		 3ogpA-3g79A:
14.13
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.
3ghp CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		5 LEU A 120
MET A 143
GLY A 146
ILE A 147
VAL A  31
 None
 1.07A 3ogpA-3ghpA:
undetectable		 3ogpA-3ghpA:
18.84
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.
3gr8 NADPH DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00724
(Oxidored_FMN) 		5 LEU A  88
ALA A 156
GLY A 149
VAL A  37
LEU A  85
 None
 1.01A 3ogpA-3gr8A:
undetectable		 3ogpA-3gr8A:
15.58
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		6 ALA B 469
GLY B 399
ILE B 400
SER B 289
VAL B 504
LEU B 472
 None
 1.38A 3ogpA-3l91B:
undetectable		 3ogpA-3l91B:
11.13
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.
3m4r UNCHARACTERIZED
PROTEIN

(Thermoplasma
acidophilum) 		PF00596
(Aldolase_II) 		5 LEU A 188
ILE A 202
GLY A  25
SER A  39
VAL A 125
 None
 1.02A 3ogpA-3m4rA:
undetectable		 3ogpA-3m4rA:
19.82
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.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  48
VAL A  82
 None
 0.90A 3ogpA-3mwsA:
15.8		 3ogpA-3mwsA:
28.45
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.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
 0.57A 3ogpA-3mwsA:
15.8		 3ogpA-3mwsA:
28.45
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.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
ILE A  50
VAL A  82
 None
 0.81A 3ogpA-3mwsA:
15.8		 3ogpA-3mwsA:
28.45
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.
3mzk PROTEIN TRANSPORT
PROTEIN SEC16

(Saccharomyces
cerevisiae) 		PF12931
(Sec16_C)
PF12932
(Sec16) 		5 LEU B1378
GLY B1354
SER B1364
VAL B1365
LEU B1382
 None
 0.81A 3ogpA-3mzkB:
undetectable		 3ogpA-3mzkB:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9w GTPASE ERA

(Aquifex
aeolicus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		5 ASP A 187
GLY A 298
SER A  29
VAL A  28
LEU A 188
 None
None
MG  A 401 ( 4.8A)
None
None
 1.02A 3ogpA-3r9wA:
undetectable		 3ogpA-3r9wA:
18.21
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
GLY A  56
LEU A  92
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
3TL  A 126 (-4.6A)
 0.47A 3ogpA-3slzA:
12.0		 3ogpA-3slzA:
26.90
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.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.52A 3ogpA-3t3cA:
15.1		 3ogpA-3t3cA:
29.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.51A 3ogpA-3ttpA:
15.4		 3ogpA-3ttpA:
26.72
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.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.42A 3ogpA-3u7sA:
15.5		 3ogpA-3u7sA:
28.21
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.
4akr F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA
F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA

(Dictyostelium
discoideum) 		PF01115
(F_actin_cap_B)
PF01267
(F-actin_cap_A) 		5 ILE B  21
GLY B  27
ILE A  10
VAL A  26
LEU B  16
 None
 0.94A 3ogpA-4akrB:
undetectable		 3ogpA-4akrB:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2g GH3-1 AUXIN
CONJUGATING ENZYME

(Vitis vinifera) 		PF03321
(GH3) 		5 LEU A 152
GLY A 295
ILE A 296
VAL A 223
LEU A 226
 None
 1.00A 3ogpA-4b2gA:
undetectable		 3ogpA-4b2gA:
13.91
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.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 356
ALA A 346
GLY A 454
VAL A 359
LEU A 355
 None
 0.84A 3ogpA-4bubA:
undetectable		 3ogpA-4bubA:
12.84
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.
4c7p RALF

(Legionella
pneumophila) 		PF01369
(Sec7) 		5 LEU A 264
ALA A 308
ILE A 305
GLY A 202
ILE A 295
 None
 1.05A 3ogpA-4c7pA:
undetectable		 3ogpA-4c7pA:
15.50
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.
4dwl BBP7

(Bordetella
virus BPP1) 		no annotation 5 ALA A  71
GLY A 110
ILE A 112
VAL A 120
LEU A  68
 None
 1.00A 3ogpA-4dwlA:
undetectable		 3ogpA-4dwlA:
18.80
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE A 735
MET A 710
GLY A 714
VAL A 786
LEU A 778
 None
 0.94A 3ogpA-4fddA:
undetectable		 3ogpA-4fddA:
8.98
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.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU B 212
ALA B  21
ILE B  22
GLY B  25
LEU B 258
 None
 1.03A 3ogpA-4iyoB:
undetectable		 3ogpA-4iyoB:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		5 ALA A1066
ILE A1076
SER A1105
VAL A1104
LEU A 133
 None
 0.94A 3ogpA-4kf7A:
undetectable		 3ogpA-4kf7A:
6.96
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.
4l9r INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 184
ALA A 139
GLY A 246
ILE A 247
LEU A 140
 None
 1.04A 3ogpA-4l9rA:
undetectable		 3ogpA-4l9rA:
17.68
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.
4lac PP2A SCAFFOLD
SUBUNIT A,
TRUNCATED, AN
INTERNAL DELETION OF
PP2A A

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 LEU A 567
ALA A 582
GLY A 548
ILE A 547
LEU A 564
 None
 0.85A 3ogpA-4lacA:
undetectable		 3ogpA-4lacA:
18.83
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.
4lhu 9C2 TCR GAMMA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU G  62
ASP G  60
ILE G  36
ILE G  84
LEU G  51
 None
 0.97A 3ogpA-4lhuG:
undetectable		 3ogpA-4lhuG:
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.
4mf9 HEMIN DEGRADING
FACTOR

(Pseudomonas
aeruginosa) 		PF05171
(HemS) 		5 LEU A  56
ALA A  66
ILE A  73
VAL A 121
LEU A  63
 None
 1.00A 3ogpA-4mf9A:
undetectable		 3ogpA-4mf9A:
13.82
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 LEU A 119
ILE A  56
GLY A 335
ILE A 338
LEU A  54
 None
 0.90A 3ogpA-4n03A:
undetectable		 3ogpA-4n03A:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ndm T-CELL GAMMA
PROTEIN,T-CELL
RECEPTOR BETA-2
CHAIN C REGION

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU A  60
ASP A  58
ILE A  34
ILE A  82
LEU A  49
 None
 0.90A 3ogpA-4ndmA:
undetectable		 3ogpA-4ndmA:
16.92
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) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.56A 3ogpA-4njvA:
15.1		 3ogpA-4njvA:
32.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E

(Vibrio cholerae) 		PF02508
(Rnf-Nqr) 		5 LEU E 109
ALA E  44
ILE E 122
VAL E  31
LEU E  41
 None
 1.04A 3ogpA-4p6vE:
undetectable		 3ogpA-4p6vE:
20.43
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		5 ALA A 195
GLY A 100
ILE A 102
VAL A 110
LEU A 144
 None
 0.98A 3ogpA-4pz2A:
undetectable		 3ogpA-4pz2A:
12.62
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.
4s0v HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 ALA A1128
GLY A1155
ILE A1156
VAL A1143
LEU A1146
 None
 1.04A 3ogpA-4s0vA:
undetectable		 3ogpA-4s0vA:
14.14
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.
4txv CYTOCHROME C OXIDASE
SUBUNIT 2
THIOL:DISULFIDE
INTERCHANGE PROTEIN
TLPA

(Bradyrhizobium
diazoefficiens) 		PF00116
(COX2)
PF08534
(Redoxin) 		5 ALA B 200
ILE A 195
GLY B 227
ILE B 242
VAL B 246
 None
 1.07A 3ogpA-4txvB:
undetectable		 3ogpA-4txvB:
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 ALA A 107
ILE A 105
GLY A 317
ILE A 318
LEU A  66
 None
 1.06A 3ogpA-4xukA:
undetectable		 3ogpA-4xukA:
15.73
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.
4z79 LEIOMODIN-1
ACTIN-BINDING SITE 2
(ABS2)

(Homo sapiens) 		no annotation 6 LEU A 417
ALA A 410
ILE A 381
GLY A 403
ILE A 404
LEU A 383
 None
None
GOL  A 502 ( 4.3A)
None
None
None
 1.35A 3ogpA-4z79A:
undetectable		 3ogpA-4z79A:
20.63
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.
4z8g TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(TP1 ABS2)

(Homo sapiens) 		no annotation 6 LEU A 417
ALA A 410
ILE A 381
GLY A 403
ILE A 404
LEU A 383
 None
 1.34A 3ogpA-4z8gA:
undetectable		 3ogpA-4z8gA:
23.44
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.
4z9r OMEGA-3
POLYUNSATURATED
FATTY ACID SYNTHASE
SUBUNIT PFAD

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 LEU A 353
ILE A 337
GLY A 275
SER A 468
LEU A 354
 None
None
FMN  A 602 ( 4.3A)
None
None
 0.88A 3ogpA-4z9rA:
undetectable		 3ogpA-4z9rA:
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.
4zj8 HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 ALA A1128
GLY A1155
ILE A1156
VAL A1143
LEU A1146
 None
 1.04A 3ogpA-4zj8A:
undetectable		 3ogpA-4zj8A:
13.11
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.
5bnn CAPSID PROTEIN VP1

(Enterovirus D) 		PF00073
(Rhv) 		5 LEU A 113
ILE A 189
GLY A 218
ILE A  95
VAL A 195
 None
 1.04A 3ogpA-5bnnA:
undetectable		 3ogpA-5bnnA:
16.21
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 LEU A 475
ILE A 509
SER A 491
VAL A 492
LEU A 478
 None
 0.93A 3ogpA-5cslA:
undetectable		 3ogpA-5cslA:
4.63
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.
5cvo WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 LEU A 226
ALA A 215
GLY A 254
VAL A 267
LEU A 258
 None
 1.03A 3ogpA-5cvoA:
undetectable		 3ogpA-5cvoA:
9.54
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 LEU A 614
ALA A 591
MET A 556
GLY A 552
LEU A 610
 None
 1.01A 3ogpA-5e7pA:
undetectable		 3ogpA-5e7pA:
8.52
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.
5fms INTRAFLAGELLAR
TRANSPORT PROTEIN 52
HOMOLOG

(Mus musculus) 		PF09822
(ABC_transp_aux) 		5 ALA A 212
MET A  86
GLY A 215
ILE A 197
VAL A 236
 None
 1.05A 3ogpA-5fmsA:
undetectable		 3ogpA-5fmsA:
21.24
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.
5gkm AT5G51070/K3K7_27

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 LEU A 212
ALA A 138
ILE A 132
SER A 128
LEU A 215
 None
 0.79A 3ogpA-5gkmA:
undetectable		 3ogpA-5gkmA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ie2 OXALATE--COA LIGASE

(Arabidopsis
thaliana) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A  10
ALA A 188
ILE A 194
VAL A  13
LEU A   9
 None
 0.99A 3ogpA-5ie2A:
undetectable		 3ogpA-5ie2A:
12.03
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 LEU A 876
ALA A 873
ILE A 590
GLY A 661
ILE A 662
 None
 1.01A 3ogpA-5im3A:
undetectable		 3ogpA-5im3A:
7.25
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.
5izd D-GLYCERALDEHYDE
DEHYDROGENASE
(NADP(+))

(Thermoplasma
acidophilum) 		PF00171
(Aldedh) 		5 ALA A 162
GLY A 140
ILE A 141
VAL A 193
LEU A 163
 None
 1.01A 3ogpA-5izdA:
undetectable		 3ogpA-5izdA:
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 LEU A 333
ALA A 272
GLY A 303
ILE A 267
LEU A 336
 None
 0.88A 3ogpA-5j84A:
undetectable		 3ogpA-5j84A:
11.24
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 LEU B 226
ALA B 215
GLY B 254
VAL B 267
LEU B 258
 None
 1.00A 3ogpA-5k1cB:
undetectable		 3ogpA-5k1cB:
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 LEU A 634
ALA A 621
GLY A 493
VAL A 735
LEU A 626
 None
 0.88A 3ogpA-5kqiA:
undetectable		 3ogpA-5kqiA:
10.56
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A  43
ALA A  50
GLY A  88
VAL A  80
LEU A  47
 None
 0.92A 3ogpA-5mqpA:
undetectable		 3ogpA-5mqpA:
11.22
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.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 5 LEU A  86
ALA A 164
GLY A 157
VAL A  35
LEU A  83
 None
 1.00A 3ogpA-5nuxA:
undetectable		 3ogpA-5nuxA:
19.83
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) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
 0.50A 3ogpA-5t2zA:
15.3		 3ogpA-5t2zA:
31.93
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		6 ALA A 253
GLY A 183
ILE A 184
SER A  73
VAL A 288
LEU A 256
 None
 1.34A 3ogpA-5ubkA:
undetectable		 3ogpA-5ubkA:
9.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A 443
ILE A 425
GLY A 457
SER A 496
VAL A 495
 None
 1.02A 3ogpA-5um6A:
undetectable		 3ogpA-5um6A:
8.83
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.
5wva SHORT-CHAIN
DEHYDROGENASE

(Serratia
marcescens) 		no annotation 5 ALA A  66
ILE A  64
GLY A  16
VAL A 124
LEU A  74
 None
 0.98A 3ogpA-5wvaA:
undetectable		 3ogpA-5wvaA:
12.82
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.
5wwo ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF05291
(Bystin) 		5 ALA A 213
ILE A 211
GLY A 218
ILE A 220
VAL A 235
 None
 1.07A 3ogpA-5wwoA:
undetectable		 3ogpA-5wwoA:
14.33
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.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 5 LEU A 201
ALA A  10
ILE A  11
GLY A  14
LEU A 247
 None
 1.05A 3ogpA-6cjbA:
undetectable		 3ogpA-6cjbA:
20.34
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 ILE C1036
GLY C 991
ILE C 993
VAL C1001
LEU C1038
 None
 1.04A 3ogpA-6en4C:
undetectable		 3ogpA-6en4C:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		8 LEU A  28
ASP A  30
ALA A  33
ILE A  35
MET A  56
GLY A  58
VAL A  99
LEU A 101
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 ( 4.3A)
3TL  A 201 (-4.7A)
3TL  A 201 (-3.4A)
None
3TL  A 201 (-4.8A)
 0.64A 3ogpA-6fivA:
21.7		 3ogpA-6fivA:
95.58
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.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.94A 3ogpA-6upjA:
15.5		 3ogpA-6upjA:
29.17