SIMILAR PATTERNS OF AMINO ACIDS FOR 3K4V_D_ROCD201_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.
1aha ALPHA-MOMORCHARIN

(Momordica
charantia) 		PF00161
(RIP) 		4 GLY A   8
ASP A  10
GLY A  15
THR A 157
 None
 0.97A 3k4vC-1ahaA:
undetectable		 3k4vC-1ahaA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bru ELASTASE

(Sus scrofa) 		PF00089
(Trypsin) 		4 GLY P 184
ASP P 186
GLY P  18
THR P 146
 None
 1.03A 3k4vC-1bruP:
undetectable		 3k4vC-1bruP:
15.35
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(CYTOCHROME SUBUNIT)
FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind)
no annotation 		4 GLY C  13
ASP A 398
GLY A  13
THR A  41
 None
None
FAD  A 699 (-3.4A)
None
 1.04A 3k4vC-1fcdC:
undetectable		 3k4vC-1fcdC:
21.05
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLY A 350
ASP A 420
GLY A 112
THR A 116
 None
None
FAD  A 600 (-3.3A)
None
 1.10A 3k4vC-1gpeA:
undetectable		 3k4vC-1gpeA:
9.83
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
None
 0.29A 3k4vC-1hvcA:
14.0		 3k4vC-1hvcA:
46.80
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
None
 0.35A 3k4vC-1hvcA:
14.0		 3k4vC-1hvcA:
46.80
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 GLY A  97
ASP A  94
GLY A  44
THR A  63
 None
 0.74A 3k4vC-1nkvA:
undetectable		 3k4vC-1nkvA:
17.02
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT

(Paracoccus
denitrificans) 		no annotation 4 GLY B 297
ASP B 302
GLY B 315
THR B  18
 None
 0.97A 3k4vC-1pbyB:
undetectable		 3k4vC-1pbyB:
15.92
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.
1s3g ADENYLATE KINASE

(Sporosarcina
globispora) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.6A)
AP5  A 218 ( 4.7A)
None
None
 0.98A 3k4vC-1s3gA:
undetectable		 3k4vC-1s3gA:
18.02
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 None
 0.33A 3k4vC-1sivA:
18.1		 3k4vC-1sivA:
51.96
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.
1spj KALLIKREIN 1

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A  19
ASP A 159
GLY A 184
THR A 213
 None
 0.84A 3k4vC-1spjA:
undetectable		 3k4vC-1spjA:
18.07
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 GLY A  15
ASP A 465
GLY A 382
THR A 391
 None
 0.88A 3k4vC-1sqjA:
undetectable		 3k4vC-1sqjA:
9.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1txo PUTATIVE BACTERIAL
ENZYME

(Mycobacterium
tuberculosis) 		PF13672
(PP2C_2) 		4 GLY A 117
ASP A 135
GLY A 121
THR A 176
 None
 1.07A 3k4vC-1txoA:
undetectable		 3k4vC-1txoA:
17.72
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 GLY A 770
ASP A 736
GLY A 783
THR A 775
 None
 0.88A 3k4vC-1v7vA:
undetectable		 3k4vC-1v7vA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		4 GLY A 103
ASP A  95
GLY A  70
THR A 116
 None
SO4  A 904 (-4.2A)
SO4  A 902 (-3.3A)
None
 0.89A 3k4vC-1wkrA:
7.5		 3k4vC-1wkrA:
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.
1wql IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 GLY A 389
ASP A 387
GLY A 382
THR A 338
 None
 0.95A 3k4vC-1wqlA:
undetectable		 3k4vC-1wqlA:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yoa PUTATIVE
FLAVOPROTEIN

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		4 GLY A 154
ASP A 152
GLY A  16
THR A  32
 None
 0.86A 3k4vC-1yoaA:
undetectable		 3k4vC-1yoaA:
19.62
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.
1zip ADENYLATE KINASE

(Geobacillus
stearothermophilus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.6A)
MN  A 220 ( 4.3A)
None
None
 0.90A 3k4vC-1zipA:
undetectable		 3k4vC-1zipA:
21.61
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.
2drm ACANTHAMOEBA MYOSIN
IB

(Acanthamoeba) 		PF00018
(SH3_1) 		4 GLY A  38
ASP A  35
GLY A  49
THR A  17
 None
 0.97A 3k4vC-2drmA:
undetectable		 3k4vC-2drmA:
23.71
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		4 GLY B 135
ASP B 106
GLY B 131
THR B 202
 None
 1.00A 3k4vC-2f9yB:
undetectable		 3k4vC-2f9yB:
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.
2gt1 LIPOPOLYSACCHARIDE
HEPTOSYLTRANSFERASE-
1

(Escherichia
coli) 		PF01075
(Glyco_transf_9) 		4 GLY A 288
ASP A 283
GLY A 280
THR A 188
 None
 0.93A 3k4vC-2gt1A:
undetectable		 3k4vC-2gt1A:
16.16
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 GLY A 320
ASP A 316
GLY A 118
THR A 122
 None
 1.08A 3k4vC-2qt3A:
undetectable		 3k4vC-2qt3A:
14.25
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.
2rij PUTATIVE
2,3,4,5-TETRAHYDROPY
RIDINE-2-CARBOXYLATE
N-
SUCCINYLTRANSFERASE

(Campylobacter
jejuni) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		4 GLY A 267
ASP A 310
GLY A 355
THR A 304
 None
 0.97A 3k4vC-2rijA:
undetectable		 3k4vC-2rijA:
15.07
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 AB1  A 501 (-3.9A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
None
 0.25A 3k4vC-2rkfA:
20.5		 3k4vC-2rkfA:
82.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vak SIGMA A

(Avian
orthoreovirus) 		PF03084
(Sigma_1_2) 		4 GLY A 167
ASP A 408
GLY A 412
THR A 343
 None
 1.08A 3k4vC-2vakA:
undetectable		 3k4vC-2vakA:
12.24
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.
2we9 MOBA-RELATED PROTEIN

(Mycobacterium
tuberculosis) 		PF12804
(NTP_transf_3) 		4 GLY A  68
ASP A  70
GLY A   8
THR A  37
 None
 1.02A 3k4vC-2we9A:
undetectable		 3k4vC-2we9A:
21.29
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		4 GLY A 292
ASP A 222
GLY A 210
THR A 216
 None
None
None
PP6  A 327 (-3.6A)
 0.94A 3k4vC-2wedA:
7.9		 3k4vC-2wedA:
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.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		4 GLY A2455
ASP A2383
GLY A2403
THR A2447
 CA  A5002 (-3.5A)
CA  A5003 ( 2.7A)
None
None
 0.96A 3k4vC-2wjsA:
undetectable		 3k4vC-2wjsA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wla DPS-LIKE PEROXIDE
RESISTANCE PROTEIN

(Streptococcus
pyogenes) 		PF00210
(Ferritin) 		4 GLY A 143
ASP A 140
GLY A 135
THR A  14
 None
 0.96A 3k4vC-2wlaA:
undetectable		 3k4vC-2wlaA:
22.03
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.
2wv3 NEUROPLASTIN

(Rattus
norvegicus) 		PF13927
(Ig_3) 		4 GLY A 118
ASP A  94
GLY A  97
THR A 153
 None
 1.08A 3k4vC-2wv3A:
undetectable		 3k4vC-2wv3A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 107
ASP A 117
GLY A 120
THR A  68
 None
None
HDD  A 690 (-3.5A)
None
 0.87A 3k4vC-2xf2A:
undetectable		 3k4vC-2xf2A:
8.89
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.
2xgw PEROXIDE RESISTANCE
PROTEIN

(Streptococcus
pyogenes) 		PF00210
(Ferritin) 		4 GLY A 143
ASP A 140
GLY A 135
THR A  14
 None
 0.99A 3k4vC-2xgwA:
undetectable		 3k4vC-2xgwA:
20.92
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		4 GLY A 235
ASP A 237
GLY A 638
THR A 731
 None
 1.03A 3k4vC-2yevA:
undetectable		 3k4vC-2yevA:
11.97
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.
2z1u HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Desulfovibrio
vulgaris) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 GLY A 176
ASP A 174
GLY A 270
THR A  70
 None
 0.96A 3k4vC-2z1uA:
undetectable		 3k4vC-2z1uA:
15.66
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.
3b8l UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF13577
(SnoaL_4) 		4 GLY A  85
ASP A   7
GLY A 122
THR A 126
 None
 0.91A 3k4vC-3b8lA:
undetectable		 3k4vC-3b8lA:
20.61
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 261
ASP A  83
GLY A 407
THR A 311
 None
 0.99A 3k4vC-3b96A:
undetectable		 3k4vC-3b96A:
10.22
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.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		4 GLY A 120
ASP A  45
GLY A 439
THR A 445
 None
 1.10A 3k4vC-3cj1A:
undetectable		 3k4vC-3cj1A:
11.01
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.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 GLY A  41
ASP A  20
GLY A 391
THR A 384
 None
 0.91A 3k4vC-3da1A:
undetectable		 3k4vC-3da1A:
11.61
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.
3dl0 ADENYLATE KINASE

(Bacillus
subtilis) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.5A)
MG  A 220 ( 4.3A)
None
None
 0.96A 3k4vC-3dl0A:
undetectable		 3k4vC-3dl0A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		4 GLY A 518
ASP A 509
GLY A 600
THR A 559
 None
None
ZN  A 756 (-4.5A)
None
 0.93A 3k4vC-3eqnA:
undetectable		 3k4vC-3eqnA:
8.22
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		4 GLY A  71
ASP A  73
GLY A  47
THR A  51
 None
 1.00A 3k4vC-3f5dA:
undetectable		 3k4vC-3f5dA:
19.70
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 GLY A 387
ASP A 385
GLY A 380
THR A 336
 None
 1.01A 3k4vC-3gzyA:
undetectable		 3k4vC-3gzyA:
12.69
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 GLY X 144
ASP X 148
GLY X 165
THR X 217
 None
 1.02A 3k4vC-3kvnX:
undetectable		 3k4vC-3kvnX:
9.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		4 GLY A 219
ASP A 158
GLY A 176
THR A 260
 ADP  A 267 (-3.4A)
ADP  A 267 ( 4.4A)
None
None
 0.95A 3k4vC-3ll9A:
undetectable		 3k4vC-3ll9A:
16.54
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 None
 0.43A 3k4vC-3mwsA:
19.6		 3k4vC-3mwsA:
79.80
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.
3ot4 PUTATIVE
ISOCHORISMATASE

(Bordetella
bronchiseptica) 		PF00857
(Isochorismatase) 		4 GLY A  43
ASP A 174
GLY A 144
THR A  51
 None
 0.89A 3k4vC-3ot4A:
undetectable		 3k4vC-3ot4A:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 GLY A 779
ASP A 745
GLY A 792
THR A 784
 None
 0.99A 3k4vC-3qdeA:
undetectable		 3k4vC-3qdeA:
9.34
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.
3r5b TETRAHYDRODIPICOLINA
TE
N-SUCCINYLETRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		4 GLY A 259
ASP A 235
GLY A 263
THR A 242
 None
 1.10A 3k4vC-3r5bA:
undetectable		 3k4vC-3r5bA:
16.93
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.
3sul CERATO-PLATANIN-LIKE
PROTEIN

(Moniliophthora
perniciosa) 		PF07249
(Cerato-platanin) 		4 GLY A  67
ASP A  94
GLY A  33
THR A  46
 None
 0.90A 3k4vC-3sulA:
undetectable		 3k4vC-3sulA:
22.76
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 017  A 201 (-3.6A)
017  A 201 (-3.3A)
None
None
 0.40A 3k4vC-3ttpA:
19.2		 3k4vC-3ttpA:
76.77
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 017  A 201 ( 3.5A)
017  A 201 (-3.2A)
017  A 202 ( 4.6A)
None
 0.43A 3k4vC-3u7sA:
19.7		 3k4vC-3u7sA:
76.77
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 GLY A 400
ASP A 448
GLY A 419
THR A 437
 None
 1.09A 3k4vC-3uw2A:
undetectable		 3k4vC-3uw2A:
12.37
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 GLY A 362
ASP A 305
GLY A 247
THR A 234
 None
 0.72A 3k4vC-3wiwA:
undetectable		 3k4vC-3wiwA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zt9 SERINE PHOSPHATASE

(Moorella
thermoacetica) 		PF07228
(SpoIIE) 		4 GLY A  37
ASP A  21
GLY A  41
THR A  79
 None
MN  A1195 ( 4.6A)
MN  A1194 (-3.9A)
None
 1.08A 3k4vC-3zt9A:
undetectable		 3k4vC-3zt9A:
22.02
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 GLY A 511
ASP A 283
GLY A 503
THR A 185
 None
MG  A1770 ( 2.7A)
K  A1772 ( 4.5A)
None
 1.05A 3k4vC-4a01A:
undetectable		 3k4vC-4a01A:
10.22
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.
4af1 PEPTIDE CHAIN
RELEASE FACTOR
SUBUNIT 1

(Halobacterium
salinarum) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		4 GLY A 106
ASP A 102
GLY A  31
THR A  69
 None
 1.08A 3k4vC-4af1A:
undetectable		 3k4vC-4af1A:
13.59
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.
4b62 TSSL1

(Pseudomonas
aeruginosa) 		PF00691
(OmpA) 		4 GLY A 432
ASP A 376
GLY A 336
THR A 333
 None
 0.91A 3k4vC-4b62A:
undetectable		 3k4vC-4b62A:
19.16
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.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		4 GLY A  74
ASP A  76
GLY A 140
THR A 145
 None
 1.04A 3k4vC-4f82A:
undetectable		 3k4vC-4f82A:
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.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		4 GLY A 108
ASP A 106
GLY A 147
THR A 142
 None
 1.01A 3k4vC-4fr2A:
undetectable		 3k4vC-4fr2A:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hvt POST-PROLINE
CLEAVING ENZYME

(Rickettsia
typhi) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 GLY A 683
ASP A 649
GLY A 657
THR A  43
 None
 0.69A 3k4vC-4hvtA:
undetectable		 3k4vC-4hvtA:
10.52
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.
4ici PUTATIVE
FLAVOPROTEIN

(Bacteroides
eggerthii) 		PF12682
(Flavodoxin_4) 		4 GLY A 151
ASP A 119
GLY A 146
THR A  46
 None
None
FMN  A 200 (-3.3A)
FMN  A 200 (-3.6A)
 0.77A 3k4vC-4iciA:
undetectable		 3k4vC-4iciA:
27.54
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 259
ASP A 234
GLY A 168
THR A 175
 None
None
NAI  A 401 (-3.5A)
None
 1.07A 3k4vC-4ilkA:
undetectable		 3k4vC-4ilkA:
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.
4jx6 PYRUVATE CARBOXYLASE

(Rhizobium etli) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 GLY A 766
ASP A 768
GLY A 741
THR A 701
 None
MG  A1103 (-3.3A)
None
None
 1.09A 3k4vC-4jx6A:
undetectable		 3k4vC-4jx6A:
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.
4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00245
(Alk_phosphatase) 		4 GLY A 318
ASP A 316
GLY A  41
THR A 147
 None
 1.04A 3k4vC-4kjdA:
undetectable		 3k4vC-4kjdA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0m PUTATIVE
UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 GLY A 178
ASP A 182
GLY A 109
THR A  23
 None
 1.04A 3k4vC-4m0mA:
undetectable		 3k4vC-4m0mA:
9.13
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		4 GLY A 190
ASP A 150
GLY A 428
THR A 215
 None
GLN  A 501 ( 4.7A)
None
None
 1.02A 3k4vC-4n0iA:
undetectable		 3k4vC-4n0iA:
11.57
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.33A 3k4vC-4njvA:
20.5		 3k4vC-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.
4o8u UNCHARACTERIZED
PROTEIN PF2046

(Pyrococcus
furiosus) 		PF13680
(DUF4152) 		4 GLY A  62
ASP A  59
GLY A  29
THR A  33
 None
 0.86A 3k4vC-4o8uA:
undetectable		 3k4vC-4o8uA:
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 GLY A 313
ASP A 282
GLY A 309
THR A  41
 None
 1.06A 3k4vC-4q05A:
undetectable		 3k4vC-4q05A:
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.
4qpw GLYCOSYL HYDROLASE
FAMILY 10

(Bacteroides
intestinalis) 		no annotation 4 GLY A 196
ASP A 193
GLY A 190
THR A 289
 None
 0.94A 3k4vC-4qpwA:
undetectable		 3k4vC-4qpwA:
19.42
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 4 GLY H 758
ASP H 760
GLY H 708
THR H 740
 None
 1.02A 3k4vC-4qslH:
undetectable		 3k4vC-4qslH:
6.29
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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		4 GLY A  69
ASP A 251
GLY A 191
THR A 198
 None
 0.63A 3k4vC-4r2bA:
undetectable		 3k4vC-4r2bA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 GLY A 275
ASP A 272
GLY A 268
THR A 214
 None
 0.96A 3k4vC-4rpaA:
undetectable		 3k4vC-4rpaA:
14.24
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.
4tkx LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		4 GLY L 474
ASP L 516
GLY L 560
THR L 544
 None
TCK  L 720 (-3.0A)
None
None
 1.02A 3k4vC-4tkxL:
undetectable		 3k4vC-4tkxL:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		4 GLY A 925
ASP A 922
GLY A 285
THR A 280
 None
 0.92A 3k4vC-4u48A:
undetectable		 3k4vC-4u48A:
4.85
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.
4u5x RAC-LIKE GTP-BINDING
PROTEIN 1

(Oryza sativa) 		PF00071
(Ras) 		4 GLY A  81
ASP A  83
GLY A  61
THR A  65
 None
GOL  A 204 (-3.4A)
None
None
 0.90A 3k4vC-4u5xA:
undetectable		 3k4vC-4u5xA:
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		4 GLY A 251
ASP A 254
GLY A 422
THR A 225
 NA  A1648 ( 4.6A)
NA  A1648 ( 3.8A)
None
None
 1.08A 3k4vC-4uirA:
undetectable		 3k4vC-4uirA:
11.03
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 GLY A 525
ASP A 522
GLY A 518
THR A 502
 POL  A 707 (-3.7A)
POL  A 707 ( 4.7A)
None
None
 0.99A 3k4vC-4uzsA:
undetectable		 3k4vC-4uzsA:
9.71
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.
4w6v DI-/TRIPEPTIDE
TRANSPORTER

(Yersinia
enterocolitica) 		PF00854
(PTR2) 		4 GLY A  88
ASP A  84
GLY A  79
THR A 236
 None
 0.91A 3k4vC-4w6vA:
undetectable		 3k4vC-4w6vA:
14.29
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.
4wqe THIOSULFATE
DEHYDROGENASE

(Allochromatium
vinosum) 		PF13442
(Cytochrome_CBB3) 		4 GLY A 165
ASP A 167
GLY A 185
THR A 231
 None
None
IOD  A1004 ( 4.5A)
None
 1.04A 3k4vC-4wqeA:
undetectable		 3k4vC-4wqeA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLY A  28
ASP A 183
GLY A 156
THR A 113
 None
 1.05A 3k4vC-4xeuA:
undetectable		 3k4vC-4xeuA:
8.96
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 None
 0.54A 3k4vC-5b18A:
18.1		 3k4vC-5b18A:
73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		4 GLY A  98
ASP A  95
GLY A  45
THR A  64
 None
SAH  A 301 (-3.3A)
SAH  A 301 (-3.6A)
None
 0.66A 3k4vC-5bp7A:
undetectable		 3k4vC-5bp7A:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czv NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 3

(Homo sapiens) 		PF00066
(Notch)
PF06816
(NOD)
PF07684
(NODP) 		4 GLY A1422
ASP A1609
GLY A1631
THR A1516
 None
 1.06A 3k4vC-5czvA:
undetectable		 3k4vC-5czvA:
14.34
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		4 GLY A  66
ASP A 249
GLY A 188
THR A 195
 None
 0.57A 3k4vC-5dvjA:
undetectable		 3k4vC-5dvjA:
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		4 GLY A  97
ASP A  94
GLY A  44
THR A  63
 None
SAH  A 301 (-3.5A)
SAH  A 301 (-3.6A)
None
 0.64A 3k4vC-5epeA:
undetectable		 3k4vC-5epeA:
18.52
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.
5g3z ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A1217 (-3.6A)
MG  A1218 ( 4.4A)
None
None
 0.90A 3k4vC-5g3zA:
undetectable		 3k4vC-5g3zA:
23.40
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 163
ASP A 189
GLY A 159
THR A 365
 None
 1.04A 3k4vC-5hqlA:
undetectable		 3k4vC-5hqlA:
12.59
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.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		4 GLY A 279
ASP A 268
GLY A 274
THR A  49
 None
 1.08A 3k4vC-5jrjA:
undetectable		 3k4vC-5jrjA:
14.53
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.
5kzt PEPTIDE/NICKEL
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Listeria
monocytogenes) 		PF00496
(SBP_bac_5) 		4 GLY A 456
ASP A 548
GLY A  68
THR A 195
 None
 1.10A 3k4vC-5kztA:
undetectable		 3k4vC-5kztA:
11.35
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		4 GLY A2453
ASP A2428
GLY A2424
THR A2503
 None
 1.05A 3k4vC-5lkiA:
undetectable		 3k4vC-5lkiA:
3.53
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 4 GLY A 346
ASP A 416
GLY A 108
THR A 112
 None
DIO  A 618 (-3.8A)
FAD  A 601 (-3.3A)
None
 1.10A 3k4vC-5nitA:
undetectable		 3k4vC-5nitA:
10.27
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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		4 GLY A 111
ASP A 219
GLY A 165
THR A 264
 None
CA  A 302 (-2.9A)
None
None
 1.10A 3k4vC-5twtA:
undetectable		 3k4vC-5twtA:
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.
5u84 ACID CERAMIDASE

(Balaenoptera
acutorostrata) 		no annotation 4 GLY A 379
ASP A 375
GLY A 284
THR A 212
 None
I3C  A 407 (-3.3A)
None
None
 1.03A 3k4vC-5u84A:
undetectable		 3k4vC-5u84A:
17.00
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.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		4 GLY A 137
ASP A 193
GLY A 190
THR A 124
 None
 0.89A 3k4vC-5vf4A:
undetectable		 3k4vC-5vf4A:
14.40
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.
5xge UNCHARACTERIZED
PROTEIN PA0861

(Pseudomonas
aeruginosa) 		no annotation 4 GLY A 442
ASP A 447
GLY A 458
THR A 380
 None
 1.07A 3k4vC-5xgeA:
undetectable		 3k4vC-5xgeA:
22.33
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.
5xts MACROPHAGE MANNOSE
RECEPTOR 1

(Homo sapiens) 		no annotation 4 GLY A 415
ASP A 420
GLY A 483
THR A 399
 None
 1.00A 3k4vC-5xtsA:
undetectable		 3k4vC-5xtsA:
16.16
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 4 GLY A 230
ASP A 220
GLY A 339
THR A 384
 None
None
TLA  A 601 (-3.5A)
None
 1.10A 3k4vC-6frlA:
undetectable		 3k4vC-6frlA:
21.70
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.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 4 GLY A 149
ASP A 162
GLY A 360
THR A 245
 FAD  A 600 (-3.6A)
None
None
None
 1.06A 3k4vC-6fydA:
undetectable		 3k4vC-6fydA:
17.17
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) 		4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 NIU  A 100 (-4.5A)
None
None
None
 0.51A 3k4vC-6upjA:
18.1		 3k4vC-6upjA:
49.49