SIMILAR PATTERNS OF AMINO ACIDS FOR 4LL3_A_017A202_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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ARG A 288
ALA A 339
ASP A 362
VAL A 364
VAL A 344
 None
 1.10A 4ll3B-1dabA:
undetectable		 4ll3B-1dabA:
11.36
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) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
VAL A  82
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.70A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
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) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
VAL A  82
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.55A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
VAL A  32
GLY A  51
PRO A  81
VAL A  82
 A79  A 800 (-3.4A)
A79  A 800 ( 4.4A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.94A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 1.03A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
 1.01A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
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) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.56A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
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) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.40A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.00A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
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 ASP A  25
ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.97A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 VAL A  32
GLY A  51
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.4A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 1.08A 4ll3B-1hvcA:
14.0		 4ll3B-1hvcA:
98.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 382
ALA A 437
ASP A 435
VAL A 459
VAL A 431
 None
TPP  A 600 (-3.1A)
MG  A 601 ( 2.9A)
None
None
 1.17A 4ll3B-1ovmA:
undetectable		 4ll3B-1ovmA:
10.20
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
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.90A 4ll3B-1q9pA:
10.1		 4ll3B-1q9pA:
93.68
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 ALA A 147
ASP A 146
GLY A 153
VAL A 198
ILE A 148
 None
 1.23A 4ll3B-1r8gA:
undetectable		 4ll3B-1r8gA:
15.95
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) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 1.37A 4ll3B-1sivA:
18.6		 4ll3B-1sivA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.46A 4ll3B-1sivA:
18.6		 4ll3B-1sivA:
50.51
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) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.85A 4ll3B-1sivA:
18.6		 4ll3B-1sivA:
50.51
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.
1t3h DEPHOSPHO-COA KINASE

(Escherichia
coli) 		PF01121
(CoaE) 		5 ASP A 185
ASP A 131
VAL A 130
GLY A 177
ILE A 173
 None
 1.20A 4ll3B-1t3hA:
undetectable		 4ll3B-1t3hA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP B 297
ALA B 388
VAL B 386
GLY B 336
VAL B 325
 None
 1.14A 4ll3B-1tqyB:
undetectable		 4ll3B-1tqyB:
11.68
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.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		5 ALA A 147
ASP A 146
GLY A 153
VAL A 198
ILE A 148
 None
 1.22A 4ll3B-1tt4A:
undetectable		 4ll3B-1tt4A:
14.65
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A  70
VAL A 169
PRO A 329
VAL A 328
ILE A  90
 None
 1.21A 4ll3B-1u3tA:
undetectable		 4ll3B-1u3tA:
13.90
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.97A 4ll3B-1v5fA:
undetectable		 4ll3B-1v5fA:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ALA A 237
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 0.86A 4ll3B-1wdtA:
undetectable		 4ll3B-1wdtA:
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ASP A 216
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 1.07A 4ll3B-1wdtA:
undetectable		 4ll3B-1wdtA:
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.
2akp ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ARG A  65
ASP A  79
ALA A  41
ASP A  40
PRO A 204
 None
 1.23A 4ll3B-2akpA:
undetectable		 4ll3B-2akpA:
22.73
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ALA A 279
VAL A 457
GLY A 452
VAL A 509
ILE A 485
 None
 1.24A 4ll3B-2aw5A:
undetectable		 4ll3B-2aw5A:
11.09
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.
2axo HYPOTHETICAL PROTEIN
ATU2684

(Agrobacterium
fabrum) 		PF06764
(DUF1223) 		5 ALA A 172
VAL A 251
GLY A 214
PRO A 151
VAL A 152
 None
 1.24A 4ll3B-2axoA:
undetectable		 4ll3B-2axoA:
19.05
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 ASP A 276
VAL A 275
GLY A 299
VAL A 288
ILE A 284
 None
 1.24A 4ll3B-2d0oA:
undetectable		 4ll3B-2d0oA:
10.50
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.
2dpp NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8) 		PF02211
(NHase_beta) 		5 ARG B 160
ALA B 165
VAL B 215
GLY B   9
ILE B 217
 CSO  A 121 ( 3.6A)
None
None
None
None
 1.08A 4ll3B-2dppB:
undetectable		 4ll3B-2dppB:
16.74
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 ALA A  51
GLY A  73
PRO A 168
VAL A 167
ILE A 119
 None
 1.13A 4ll3B-2f2aA:
undetectable		 4ll3B-2f2aA:
12.55
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) 		8 ARG A   8
ASP A  25
ALA A  28
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.59A 4ll3B-2fmbA:
15.1		 4ll3B-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.79A 4ll3B-2fmbA:
15.1		 4ll3B-2fmbA:
31.73
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.
2nli LACTATE OXIDASE

(Aerococcus
viridans) 		PF01070
(FMN_dh) 		5 ALA A 252
ASP A 250
VAL A 287
PRO A 292
ILE A 260
 None
 1.20A 4ll3B-2nliA:
undetectable		 4ll3B-2nliA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzi TITIN

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set) 		5 ARG A 249
ALA A 270
ASP A 197
GLY A 275
ILE A 227
 None
 1.20A 4ll3B-2nziA:
undetectable		 4ll3B-2nziA:
17.95
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.
2qec HISTONE
ACETYLTRANSFERASE
HPA2 AND RELATED
ACETYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00583
(Acetyltransf_1) 		5 ALA A   8
ASP A  63
VAL A  75
VAL A  17
ILE A  16
 EDO  A 205 (-3.9A)
EDO  A 210 (-3.5A)
None
None
None
 1.13A 4ll3B-2qecA:
undetectable		 4ll3B-2qecA:
21.79
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 ARG A 454
ALA A 447
ASP A 448
GLY A 392
ILE A 450
 None
None
None
CA  A 619 (-4.2A)
None
 1.14A 4ll3B-2quaA:
undetectable		 4ll3B-2quaA:
9.41
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) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 4.2A)
 1.46A 4ll3B-2rkfA:
21.2		 4ll3B-2rkfA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.43A 4ll3B-2rkfA:
21.2		 4ll3B-2rkfA:
86.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2waw MOBA RELATE PROTEIN

(Mycobacterium
sp. DSM 3803) 		PF12804
(NTP_transf_3) 		5 ARG A 171
VAL A 141
GLY A 157
VAL A 128
ILE A 126
 None
 0.94A 4ll3B-2wawA:
undetectable		 4ll3B-2wawA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywg GTP-BINDING PROTEIN
LEPA

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		5 ASP A 323
ALA A 325
VAL A 327
GLY A 346
ILE A 326
 None
 1.22A 4ll3B-2ywgA:
undetectable		 4ll3B-2ywgA:
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.
2yyh 8-OXO-DGTPASE DOMAIN

(Aquifex
aeolicus) 		PF00293
(NUDIX) 		5 ALA A  97
VAL A  28
GLY A  65
VAL A  14
ILE A  16
 None
 1.19A 4ll3B-2yyhA:
undetectable		 4ll3B-2yyhA:
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ARG A 402
VAL A 106
GLY A 201
VAL A 347
ILE A 348
 None
 1.20A 4ll3B-3aoeA:
undetectable		 4ll3B-3aoeA:
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 ALA A 278
GLY A 118
PRO A  64
VAL A 269
ILE A 270
 None
PMP  A 431 (-3.6A)
None
None
None
 1.24A 4ll3B-3bs8A:
undetectable		 4ll3B-3bs8A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ARG A  83
ALA A 108
ASP A 107
GLY A 199
ILE A  70
 None
 1.17A 4ll3B-3eqqA:
undetectable		 4ll3B-3eqqA:
14.42
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ALA A 167
VAL A  99
GLY A 186
VAL A  94
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.89A 4ll3B-3g7rA:
undetectable		 4ll3B-3g7rA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbj FLAVONOID
3-O-GLUCOSYLTRANSFER
ASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 ALA A 431
VAL A 363
GLY A 246
VAL A 358
ILE A 362
 None
 1.20A 4ll3B-3hbjA:
undetectable		 4ll3B-3hbjA:
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.
3hdf LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 ALA A 131
ASP A 127
GLY A 163
PRO A  95
ILE A 123
 None
 1.15A 4ll3B-3hdfA:
undetectable		 4ll3B-3hdfA:
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 ASP M  78
GLY M  54
PRO M  63
VAL M  64
ILE M  65
 None
 1.20A 4ll3B-3i04M:
undetectable		 4ll3B-3i04M:
10.23
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.
3lt3 POSSIBLE
MEMBRANE-ASSOCIATED
SERINE PROTEASE

(Mycobacterium
tuberculosis) 		PF13365
(Trypsin_2) 		5 ALA A 285
ASP A 349
VAL A 291
GLY A 356
ILE A 309
 None
 1.07A 4ll3B-3lt3A:
undetectable		 4ll3B-3lt3A:
19.14
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 ALA A 209
ASP A 207
VAL A 175
VAL A 203
ILE A 205
 None
 1.22A 4ll3B-3lunA:
undetectable		 4ll3B-3lunA:
19.00
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) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 1.47A 4ll3B-3mwsA:
20.2		 4ll3B-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
VAL A  82
ILE A  84
 None
 0.59A 4ll3B-3mwsA:
20.2		 4ll3B-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
VAL A  32
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.47A 4ll3B-3mwsA:
20.2		 4ll3B-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.85A 4ll3B-3mwsA:
20.2		 4ll3B-3mwsA:
78.79
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 ALA A 434
VAL A 298
GLY A 427
PRO A 293
ILE A 297
 None
 1.21A 4ll3B-3omnA:
undetectable		 4ll3B-3omnA:
11.45
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 130
ASP A  76
VAL A  35
VAL A  80
ILE A  78
 None
 1.23A 4ll3B-3ppsA:
undetectable		 4ll3B-3ppsA:
10.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r8y 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 ALA A  92
ASP A 108
GLY A  89
VAL A 104
ILE A 106
 None
 1.08A 4ll3B-3r8yA:
undetectable		 4ll3B-3r8yA:
18.07
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 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.55A 4ll3B-3t3cA:
18.8		 4ll3B-3t3cA:
77.78
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) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.7A)
 1.40A 4ll3B-3ttpA:
19.9		 4ll3B-3ttpA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.42A 4ll3B-3ttpA:
19.9		 4ll3B-3ttpA:
80.81
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.
3u7b ENDO-1,4-BETA-XYLANA
SE

(Fusarium
oxysporum) 		PF00331
(Glyco_hydro_10) 		5 ALA A 186
ASP A 173
GLY A 179
VAL A 241
ILE A 203
 None
 1.23A 4ll3B-3u7bA:
undetectable		 4ll3B-3u7bA:
14.86
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) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.34A 4ll3B-3u7sA:
20.1		 4ll3B-3u7sA:
80.81
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT
HYDROGENASE-1 SMALL
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ARG A 183
VAL B  73
GLY B  69
PRO B   8
ILE B  10
 None
 1.17A 4ll3B-4c3oA:
undetectable		 4ll3B-4c3oA:
10.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxp ADENYLYL-SULFATE
KINASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01583
(APS_kinase) 		5 ARG A 185
ASP A 187
ALA A 156
ASP A 154
PRO A 238
 None
 1.05A 4ll3B-4fxpA:
undetectable		 4ll3B-4fxpA:
17.65
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.
4ijn ACETATE KINASE

(Mycolicibacterium
smegmatis) 		PF00871
(Acetate_kinase) 		5 ALA A  68
VAL A  85
PRO A  83
VAL A 127
ILE A 125
 None
 1.20A 4ll3B-4ijnA:
undetectable		 4ll3B-4ijnA:
13.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jiw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF05488
(PAAR_motif) 		5 ASP D  41
ALA D  37
ASP D   9
VAL D  85
ILE D  58
 None
 1.14A 4ll3B-4jiwD:
undetectable		 4ll3B-4jiwD:
30.56
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		5 ASP A  86
VAL A  88
GLY A  29
VAL A  53
ILE A  52
 CL  A 404 (-4.6A)
None
ANP  A 401 (-3.8A)
None
None
 1.10A 4ll3B-4m69A:
undetectable		 4ll3B-4m69A:
15.06
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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 ARG A 259
ALA A 218
VAL A 224
GLY A 187
ILE A 221
 None
SAH  A 401 (-3.5A)
IOD  A 411 ( 4.8A)
None
None
 1.21A 4ll3B-4m73A:
undetectable		 4ll3B-4m73A:
17.01
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.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		5 ARG A 294
ASP A 320
VAL A 319
GLY A 304
ILE A 307
 None
 0.98A 4ll3B-4msoA:
undetectable		 4ll3B-4msoA:
11.22
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) 		7 ARG A   8
ASP A  25
ALA A  28
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 4ll3B-4njvA:
20.6		 4ll3B-4njvA:
87.88
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) 		7 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.92A 4ll3B-4njvA:
20.6		 4ll3B-4njvA:
87.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A 219
VAL A 176
GLY A 196
VAL A 189
ILE A 200
 None
 1.07A 4ll3B-4oh1A:
undetectable		 4ll3B-4oh1A:
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 ASP A  49
VAL A  51
PRO A  71
VAL A  72
ILE A  92
 None
 1.11A 4ll3B-4p6vA:
undetectable		 4ll3B-4p6vA:
12.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pde PROTEIN FDHD

(Escherichia
coli) 		PF02634
(FdhD-NarQ) 		5 ASP A 188
ALA A 194
GLY A 185
PRO A 162
VAL A 163
 None
 1.06A 4ll3B-4pdeA:
undetectable		 4ll3B-4pdeA:
17.27
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.
4u9o NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 ASP A  49
VAL A  51
PRO A  71
VAL A  72
ILE A  92
 None
 1.15A 4ll3B-4u9oA:
undetectable		 4ll3B-4u9oA:
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.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 ALA A 308
ASP A 307
GLY A 290
VAL A 286
ILE A 294
 None
 1.18A 4ll3B-4wjsA:
undetectable		 4ll3B-4wjsA:
11.74
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 ARG A 219
VAL A  98
GLY A 122
VAL A  32
ILE A  34
 None
 1.24A 4ll3B-4x5sA:
undetectable		 4ll3B-4x5sA:
20.13
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) 		6 ARG A  10
ASP A  32
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.71A 4ll3B-4ydfA:
12.8		 4ll3B-4ydfA:
32.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		5 ASP A 259
ASP A 330
GLY A 323
PRO A 369
ILE A 332
 CA  A1004 (-3.3A)
None
None
None
None
 1.21A 4ll3B-4yu5A:
undetectable		 4ll3B-4yu5A:
8.72
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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ARG I 319
ALA I 273
GLY I 277
VAL I 424
ILE I 321
 None
 0.97A 4ll3B-4zoqI:
undetectable		 4ll3B-4zoqI:
14.97
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
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 1.19A 4ll3B-5b18A:
18.2		 4ll3B-5b18A:
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.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 ALA A  89
ASP A  88
GLY A 111
VAL A  79
ILE A  90
 None
 1.12A 4ll3B-5dteA:
undetectable		 4ll3B-5dteA:
14.04
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 ARG X 252
VAL X 108
GLY X 143
VAL X  30
ILE X  32
 None
ALY  X 111 ( 4.6A)
None
None
None
 1.24A 4ll3B-5eztX:
undetectable		 4ll3B-5eztX:
19.27
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA B 769
VAL B 779
GLY B 891
PRO B 857
ILE B 777
 None
 1.02A 4ll3B-5fq6B:
undetectable		 4ll3B-5fq6B:
7.01
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ARG A 190
VAL A 167
GLY A 128
VAL A 177
ILE A 179
 None
 1.24A 4ll3B-5h1kA:
undetectable		 4ll3B-5h1kA:
8.75
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 ALA A 276
GLY A 409
PRO A 314
VAL A 316
ILE A 317
 16A  A 504 ( 3.9A)
FAD  A 501 (-3.7A)
None
None
16A  A 504 ( 4.7A)
 1.23A 4ll3B-5hxwA:
undetectable		 4ll3B-5hxwA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 ASP A 232
ASP A  85
GLY A 174
VAL A 178
ILE A 131
 None
 1.16A 4ll3B-5ilgA:
undetectable		 4ll3B-5ilgA:
17.65
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.
5izk SELENOCYSTEINE-SPECI
FIC ELONGATION
FACTOR

(Homo sapiens) 		PF00009
(GTP_EFTU) 		5 ALA A 315
VAL A 428
GLY A 346
VAL A 319
ILE A 317
 None
 0.96A 4ll3B-5izkA:
undetectable		 4ll3B-5izkA:
10.89
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 ALA A 411
ASP A 409
VAL A 407
PRO A 375
VAL A 376
 None
 1.12A 4ll3B-5lq3A:
undetectable		 4ll3B-5lq3A:
7.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 ALA A 155
VAL A 212
GLY A 176
PRO A 202
ILE A 204
 None
 1.20A 4ll3B-5lsmA:
undetectable		 4ll3B-5lsmA:
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.
5mm2 CAPSID PROTEIN VP4A

(Nora virus) 		no annotation 5 ARG C  91
ALA C  95
VAL C 132
VAL C 216
ILE C 214
 None
 1.15A 4ll3B-5mm2C:
undetectable		 4ll3B-5mm2C:
24.21
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.
5oki SISTER CHROMATID
COHESION PROTEIN
DCC1

(Saccharomyces
cerevisiae) 		no annotation 5 VAL C 143
GLY C 175
PRO C 123
VAL C 122
ILE C 144
 None
 1.19A 4ll3B-5okiC:
undetectable		 4ll3B-5okiC:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 1.49A 4ll3B-5t2zA:
20.6		 4ll3B-5t2zA:
80.81
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) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 None
 0.47A 4ll3B-5t2zA:
20.6		 4ll3B-5t2zA:
80.81
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ALA A 429
GLY A 423
PRO A 391
VAL A 359
ILE A 460
 None
 1.21A 4ll3B-5x4jA:
undetectable		 4ll3B-5x4jA:
18.69
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.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 5 ALA A 168
VAL A 245
GLY A 295
VAL A 248
ILE A 246
 None
 1.11A 4ll3B-5yatA:
undetectable		 4ll3B-5yatA:
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ALA A 243
ASP A 244
GLY A 322
VAL A 189
ILE A 246
 None
None
LLP  A  63 ( 3.8A)
LLP  A  63 ( 4.1A)
LLP  A  63 ( 4.5A)
 1.13A 4ll3B-5ybwA:
undetectable		 4ll3B-5ybwA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
ASP A  30
ALA A  33
GLY A  58
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
None
 0.61A 4ll3B-6fivA:
15.5		 4ll3B-6fivA:
28.70
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
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.54A 4ll3B-6upjA:
17.9		 4ll3B-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.65A 4ll3B-6upjA:
17.9		 4ll3B-6upjA:
48.48