SIMILAR PATTERNS OF AMINO ACIDS FOR 3EL1_A_DR7A100_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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		5 GLY A 305
ALA A 306
ASP A 307
ILE A 255
ILE A 301
 None
 0.97A 3el1A-1b4eA:
undetectable		 3el1A-1b4eA:
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.
1fk8 3ALPHA-HYDROXYSTEROI
D
DEHYDROGENASE/CARBON
YL REDUCTASE

(Comamonas
testosteroni) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 ALA A  40
ASP A  41
GLY A  89
VAL A   5
ILE A  31
 None
NAD  A 800 (-3.3A)
None
None
None
 1.05A 3el1A-1fk8A:
undetectable		 3el1A-1fk8A:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 112
GLY A  80
GLY A  65
ILE A  48
ILE A 109
 None
 1.02A 3el1A-1h74A:
undetectable		 3el1A-1h74A:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.81A 3el1A-1hvcA:
14.6		 3el1A-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.40A 3el1A-1hvcA:
14.6		 3el1A-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.42A 3el1A-1hvcA:
14.6		 3el1A-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.43A 3el1A-1hvcA:
14.6		 3el1A-1hvcA:
48.28
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 0.91A 3el1A-1lk5A:
undetectable		 3el1A-1lk5A:
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.
1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A

(Haemophilus
influenzae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.95A 3el1A-1m0sA:
undetectable		 3el1A-1m0sA:
24.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
 0.65A 3el1A-1q9pA:
10.4		 3el1A-1q9pA:
91.58
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.
1rhx CONSERVED
HYPOTHETICAL PROTEIN
TM0979

(Thermotoga
maritima) 		PF04077
(DsrH) 		5 ASP A  54
GLY A  87
ILE A  86
PRO A  13
VAL A  14
 None
 1.05A 3el1A-1rhxA:
undetectable		 3el1A-1rhxA:
20.39
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) 		8 ARG A   8
LEU A  23
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.61A 3el1A-1sivA:
18.3		 3el1A-1sivA:
49.49
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 3el1A-1sivA:
18.3		 3el1A-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 LEU A 215
GLY A 231
ALA A 230
VAL A 213
ILE A 225
 None
 1.00A 3el1A-1tcsA:
undetectable		 3el1A-1tcsA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		5 GLY A 307
ALA A 308
ASP A 309
VAL A 269
ILE A 303
 None
 0.81A 3el1A-1tjrA:
undetectable		 3el1A-1tjrA:
20.24
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.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		5 GLY A 241
GLY A 296
ILE A 297
PRO A 221
VAL A 220
 None
 0.88A 3el1A-1w3fA:
undetectable		 3el1A-1w3fA:
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 LEU A 252
GLY A  35
PRO A 261
VAL A 260
ILE A 258
 None
 0.90A 3el1A-1wacA:
undetectable		 3el1A-1wacA:
9.91
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 123
ALA A 124
GLY A 235
ILE A 119
ILE A 207
 None
 0.96A 3el1A-1xtzA:
undetectable		 3el1A-1xtzA:
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 LEU A 414
ALA A 347
GLY A 402
PRO A 439
VAL A 438
 None
 1.02A 3el1A-1zj9A:
undetectable		 3el1A-1zj9A:
11.39
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.
2a2f EXOCYST COMPLEX
COMPONENT SEC15

(Drosophila
melanogaster) 		PF04091
(Sec15) 		5 LEU X 239
ALA X 185
ASP X 184
GLY X 190
ILE X 242
 None
 1.01A 3el1A-2a2fX:
undetectable		 3el1A-2a2fX:
15.33
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
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)
 0.41A 3el1A-2fmbA:
15.1		 3el1A-2fmbA:
34.62
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.
2hzg MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME/ENOLASE
SUPERFAMILY

(Rhodobacter
sphaeroides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 310
ALA A  28
ASP A  27
VAL A 366
ILE A 341
 None
 0.98A 3el1A-2hzgA:
undetectable		 3el1A-2hzgA:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.71A 3el1A-2isqA:
undetectable		 3el1A-2isqA:
17.19
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.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 250
GLY A 136
ALA A 135
ILE A 127
ILE A 261
 None
 0.91A 3el1A-2p2sA:
undetectable		 3el1A-2p2sA:
14.42
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.40A 3el1A-2rkfA:
20.7		 3el1A-2rkfA:
83.84
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.53A 3el1A-2rkfA:
20.7		 3el1A-2rkfA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.86A 3el1A-2rspA:
13.0		 3el1A-2rspA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.37A 3el1A-2rspA:
13.0		 3el1A-2rspA:
32.80
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.86A 3el1A-2wskA:
undetectable		 3el1A-2wskA:
8.90
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 3el1A-2ynmA:
undetectable		 3el1A-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynp COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		5 LEU A 352
ASP A 356
ILE A 381
VAL A 316
ILE A 328
 None
 0.90A 3el1A-2ynpA:
undetectable		 3el1A-2ynpA:
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.
2yvx MG2+ TRANSPORTER
MGTE

(Thermus
thermophilus) 		PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N) 		5 LEU A 394
GLY A 325
ASP A 432
GLY A 331
ILE A 397
 None
 0.96A 3el1A-2yvxA:
undetectable		 3el1A-2yvxA:
13.42
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 LEU A 295
GLY A 216
ALA A 215
PRO A 370
ILE A 291
 None
 0.85A 3el1A-3ecdA:
undetectable		 3el1A-3ecdA:
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.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 433
GLY A 434
GLY A 381
PRO A 359
VAL A 527
 MG  A 613 ( 2.7A)
TDP  A 611 (-3.3A)
TDP  A 611 (-3.4A)
None
None
 1.03A 3el1A-3eyaA:
undetectable		 3el1A-3eyaA:
12.09
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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		5 ARG A 102
GLY A 107
ALA A 108
ASP A 109
VAL A  63
 None
 0.95A 3el1A-3gt7A:
undetectable		 3el1A-3gt7A:
23.85
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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.84A 3el1A-3hh1A:
undetectable		 3el1A-3hh1A:
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.70A 3el1A-3jv7A:
undetectable		 3el1A-3jv7A:
11.85
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 LEU A 153
ALA A 108
ASP A 111
ILE A 199
VAL A  86
 None
 0.94A 3el1A-3l2zA:
undetectable		 3el1A-3l2zA:
17.51
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 LEU A 391
GLY A 415
ALA A 223
GLY A 383
ILE A 387
 None
 1.01A 3el1A-3l7gA:
undetectable		 3el1A-3l7gA:
10.64
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 LEU A 301
ALA A 294
ASP A 295
GLY A 348
ILE A 299
 None
 0.97A 3el1A-3lxdA:
undetectable		 3el1A-3lxdA:
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 LEU A 152
ALA A 148
ILE A 100
VAL A 116
ILE A 150
 None
 1.03A 3el1A-3mduA:
undetectable		 3el1A-3mduA:
12.65
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 310
ALA A 336
ASP A 337
VAL A 363
ILE A 149
 None
 1.03A 3el1A-3mwcA:
undetectable		 3el1A-3mwcA:
16.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.46A 3el1A-3mwsA:
19.5		 3el1A-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.53A 3el1A-3mwsA:
19.5		 3el1A-3mwsA:
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 GLY A 414
ALA A 415
ASP A 416
VAL A 397
ILE A 452
 None
 0.89A 3el1A-3o8oA:
undetectable		 3el1A-3o8oA:
8.77
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.80A 3el1A-3opyA:
undetectable		 3el1A-3opyA:
7.79
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.
3pz6 LEUCYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00133
(tRNA-synt_1) 		5 LEU A 320
GLY A 357
ILE A 361
VAL A 325
ILE A 394
 None
 0.97A 3el1A-3pz6A:
undetectable		 3el1A-3pz6A:
19.77
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.32A 3el1A-3slzA:
11.3		 3el1A-3slzA:
27.41
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 LEU A  23
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
 0.84A 3el1A-3t3cA:
18.8		 3el1A-3t3cA:
76.77
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 1.34A 3el1A-3t3cA:
18.8		 3el1A-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.48A 3el1A-3t3cA:
18.8		 3el1A-3t3cA:
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  40
ASP A  36
GLY A  12
ILE A  85
ILE A  37
 None
EDO  A 315 (-3.3A)
EDO  A 315 ( 4.1A)
None
None
 0.86A 3el1A-3tl2A:
undetectable		 3el1A-3tl2A:
16.45
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.51A 3el1A-3ttpA:
19.5		 3el1A-3ttpA:
78.79
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.47A 3el1A-3ttpA:
19.5		 3el1A-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
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.41A 3el1A-3u7sA:
19.8		 3el1A-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.41A 3el1A-3u7sA:
19.8		 3el1A-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.42A 3el1A-3u7sA:
19.8		 3el1A-3u7sA:
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 GLY A 140
ALA A 209
GLY A 147
ILE A 316
ILE A 198
 None
 0.97A 3el1A-3ugkA:
undetectable		 3el1A-3ugkA:
14.63
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) 		6 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.60A 3el1A-3uhlA:
15.9		 3el1A-3uhlA:
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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  82
 None
 0.36A 3el1A-3uhlA:
15.9		 3el1A-3uhlA:
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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
PRO A  81
VAL A  82
 None
 0.61A 3el1A-3uhlA:
15.9		 3el1A-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.
3vbe BETA-CYANOALNINE
SYNTHASE

(Glycine max) 		PF00291
(PALP) 		5 GLY A 239
GLY A 232
ILE A 229
PRO A 345
VAL A 343
 None
PLP  A 500 (-3.3A)
None
PLP  A 500 (-4.2A)
None
 1.03A 3el1A-3vbeA:
undetectable		 3el1A-3vbeA:
15.68
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.
4axv MPAA

(Vibrio
campbellii) 		PF04952
(AstE_AspA) 		5 LEU A 174
ALA A 225
ASP A 224
GLY A  57
VAL A 208
 None
 1.02A 3el1A-4axvA:
undetectable		 3el1A-4axvA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		5 GLY A  59
ALA A  60
ASP A  61
VAL A   9
ILE A  36
 None
 0.86A 3el1A-4b2oA:
undetectable		 3el1A-4b2oA:
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 0.95A 3el1A-4c30A:
undetectable		 3el1A-4c30A:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxc FERREDOXIN

(Arthrospira
platensis) 		PF00111
(Fer2) 		5 LEU A   7
GLY A  34
ALA A  33
VAL A   5
ILE A  18
 None
 1.06A 3el1A-4fxcA:
undetectable		 3el1A-4fxcA:
22.86
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.
4gmk RIBOSE-5-PHOSPHATE
ISOMERASE A

(Lactobacillus
salivarius) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 100
ALA A 101
GLY A 204
ILE A  96
ILE A 176
 PO4  A 301 (-3.6A)
None
None
None
None
 0.99A 3el1A-4gmkA:
undetectable		 3el1A-4gmkA:
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.
4i1s MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Sus scrofa) 		PF00271
(Helicase_C) 		5 LEU A 731
ALA A 748
GLY A 718
ILE A 800
ILE A 784
 None
 1.06A 3el1A-4i1sA:
undetectable		 3el1A-4i1sA:
18.78
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 LEU A 162
ALA A 309
GLY A 306
ILE A 305
ILE A 321
 None
 0.91A 3el1A-4injA:
undetectable		 3el1A-4injA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4io1 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Francisella
tularensis) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 103
ALA A 104
GLY A 202
ILE A  99
ILE A 174
 CL  A 301 (-3.5A)
None
None
None
None
 0.95A 3el1A-4io1A:
undetectable		 3el1A-4io1A:
19.46
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.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		5 GLY A 233
GLY A 165
ILE A 164
PRO A 172
ILE A 229
 None
 0.92A 3el1A-4jc5A:
undetectable		 3el1A-4jc5A:
18.59
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 LEU A 542
GLY A 285
ALA A 284
ILE A 278
ILE A 539
 None
 0.93A 3el1A-4jncA:
undetectable		 3el1A-4jncA:
15.21
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.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.85A 3el1A-4k5uB:
undetectable		 3el1A-4k5uB:
16.59
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 342
GLY A 133
PRO A  66
ILE A  74
 None
 0.89A 3el1A-4kpgA:
undetectable		 3el1A-4kpgA:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 342
GLY A 133
PRO A  66
ILE A  74
 None
 0.90A 3el1A-4m1zA:
undetectable		 3el1A-4m1zA:
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.
4n13 PHOSPHATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Borreliella
burgdorferi) 		PF12849
(PBP_like_2) 		5 LEU A  22
ASP A  83
GLY A 258
ILE A 259
ILE A  21
 None
 1.06A 3el1A-4n13A:
undetectable		 3el1A-4n13A:
18.39
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 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.68A 3el1A-4njvA:
20.7		 3el1A-4njvA:
84.85
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.30A 3el1A-4njvA:
20.7		 3el1A-4njvA:
84.85
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3el1A-4njvA:
20.7		 3el1A-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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 GLY A 233
ALA A 234
ASP A 235
VAL A 216
ILE A 270
 PO4  A 802 (-4.0A)
None
PO4  A 802 ( 4.6A)
None
None
 0.90A 3el1A-4u1rA:
undetectable		 3el1A-4u1rA:
10.96
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.
4x84 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Pseudomonas
aeruginosa) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 200
ILE A  97
ILE A 172
 FLC  A 300 (-3.3A)
None
None
None
None
 1.00A 3el1A-4x84A:
undetectable		 3el1A-4x84A:
19.05
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) 		8 ARG A  10
LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.46A 3el1A-4ydfA:
13.4		 3el1A-4ydfA:
32.76
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
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 0.85A 3el1A-5b18A:
17.9		 3el1A-5b18A:
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 LEU C 315
GLY C  53
ALA C  52
ILE C  46
ILE C 312
 None
 0.80A 3el1A-5cw2C:
undetectable		 3el1A-5cw2C:
13.85
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.
5hs0 ANKYRIN DOMAIN
PROTEIN ANK1C4_7

(synthetic
construct) 		PF12796
(Ank_2) 		5 LEU A 121
GLY A 126
ALA A 127
ASP A 128
VAL A  86
 None
 0.94A 3el1A-5hs0A:
undetectable		 3el1A-5hs0A:
19.28
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 LEU C 321
ALA C 348
PRO C 297
VAL C 296
ILE C 324
 None
 1.00A 3el1A-5ks8C:
undetectable		 3el1A-5ks8C:
10.69
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 GLY A 400
GLY A 249
ILE A 395
VAL A 268
ILE A 372
 FAD  A 901 (-3.2A)
FAD  A 901 (-3.4A)
None
None
FAD  A 901 (-4.3A)
 0.99A 3el1A-5l46A:
undetectable		 3el1A-5l46A:
7.46
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.
5lti HEME DEPENDENT
OXIDATIVE
N-DEMETHYLASE

(Pseudomonas
mendocina) 		PF11927
(DUF3445) 		5 ALA A 178
GLY A 319
ILE A 320
PRO A 198
VAL A 197
 DMN  A 502 ( 4.4A)
None
None
None
HEM  A 501 (-4.2A)
 1.04A 3el1A-5ltiA:
undetectable		 3el1A-5ltiA:
13.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
 None
 1.49A 3el1A-5t2zA:
19.7		 3el1A-5t2zA:
77.78
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 0.43A 3el1A-5t2zA:
19.7		 3el1A-5t2zA:
77.78
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 0.52A 3el1A-5t2zA:
19.7		 3el1A-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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 GLY B  88
ALA B  89
ASP B  90
VAL B  59
ILE B  80
 None
 0.83A 3el1A-5ve3B:
undetectable		 3el1A-5ve3B:
13.13
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A  13
LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.29A 3el1A-6fivA:
15.2		 3el1A-6fivA:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A  13
LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
VAL A  99
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
None
 0.46A 3el1A-6fivA:
15.2		 3el1A-6fivA:
29.57
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
GLY A  27
ALA A  28
ASP A  29
GLY A  49
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
 0.76A 3el1A-6upjA:
17.9		 3el1A-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) 		5 ARG A   8
GLY A  27
ASP A  29
GLY A  49
ILE A  50
 None
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.89A 3el1A-6upjA:
17.9		 3el1A-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.67A 3el1A-6upjA:
17.9		 3el1A-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
 0.65A 3el1A-6upjA:
17.9		 3el1A-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) 		5 LEU A  23
GLY A  27
ASP A  29
GLY A  49
ILE A  50
 None
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.88A 3el1A-6upjA:
17.9		 3el1A-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) 		5 LEU A  23
GLY A  27
ASP A  29
ILE A  50
PRO A  81
 None
NIU  A 100 (-4.5A)
None
NIU  A 100 (-3.9A)
None
 0.91A 3el1A-6upjA:
17.9		 3el1A-6upjA:
48.48