SIMILAR PATTERNS OF AMINO ACIDS FOR 4DQB_B_017B101_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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 LEU B 133
ILE B 277
GLY B   7
PRO B  51
ILE B 136
 None
 0.94A 4dqbA-1bouB:
undetectable		 4dqbA-1bouB:
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.
1e69 CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF02463
(SMC_N) 		5 LEU A   6
VAL A  93
ILE A 117
GLY A  49
VAL A  80
 None
 0.92A 4dqbA-1e69A:
undetectable		 4dqbA-1e69A:
17.13
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A 215
ALA A 119
VAL A 204
GLY A 122
ILE A 167
 None
 0.92A 4dqbA-1ekqA:
undetectable		 4dqbA-1ekqA:
19.03
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O  19
VAL O   3
ILE O 325
ILE O  11
ILE O  27
 None
None
None
NAD  O 336 (-3.9A)
None
 0.85A 4dqbA-1gaeO:
undetectable		 4dqbA-1gaeO:
16.78
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.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		5 LEU A 167
VAL A 235
ILE A 240
GLY A 207
ILE A 201
 None
 0.85A 4dqbA-1gq8A:
undetectable		 4dqbA-1gq8A:
14.42
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.34A 4dqbA-1hvcA:
14.1		 4dqbA-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) 		11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
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)
 0.54A 4dqbA-1hvcA:
14.1		 4dqbA-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) 		11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
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 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.50A 4dqbA-1hvcA:
14.1		 4dqbA-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) 		6 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 1.03A 4dqbA-1hvcA:
14.1		 4dqbA-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) 		7 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
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)
 1.11A 4dqbA-1hvcA:
14.1		 4dqbA-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.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 ARG A 344
LEU A 607
ALA A 391
GLY A 387
ILE A 604
 None
 0.94A 4dqbA-1iq7A:
undetectable		 4dqbA-1iq7A:
14.66
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA A  19
VAL A  49
ILE A   5
GLY A  22
ILE A  10
 None
 0.90A 4dqbA-1nfgA:
undetectable		 4dqbA-1nfgA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nov NODAMURA VIRUS COAT
PROTEINS

(Nodamura virus) 		PF01829
(Peptidase_A6) 		5 LEU A 113
ALA A 173
VAL A 190
VAL A 301
ILE A 299
 None
 0.89A 4dqbA-1novA:
undetectable		 4dqbA-1novA:
15.06
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
 0.78A 4dqbA-1q9pA:
10.0		 4dqbA-1q9pA:
96.84
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.
1qap QUINOLINIC ACID
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 148
ALA A 270
VAL A 257
VAL A 279
ILE A 277
 None
 0.89A 4dqbA-1qapA:
undetectable		 4dqbA-1qapA:
15.82
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
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 1.46A 4dqbA-1sivA:
18.5		 4dqbA-1sivA:
51.96
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.51A 4dqbA-1sivA:
18.5		 4dqbA-1sivA:
51.96
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
 0.77A 4dqbA-1sivA:
18.5		 4dqbA-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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 LEU A 409
ALA A 299
ILE A 354
VAL A 320
ILE A 407
 None
 0.91A 4dqbA-1szqA:
undetectable		 4dqbA-1szqA:
13.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 630
ALA A 596
ILE A 291
ILE A 283
PRO A 634
 None
 0.87A 4dqbA-1uaaA:
undetectable		 4dqbA-1uaaA:
10.58
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
 None
 0.71A 4dqbA-1usyC:
undetectable		 4dqbA-1usyC:
16.08
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.
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
 0.92A 4dqbA-1v5fA:
undetectable		 4dqbA-1v5fA:
10.98
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.
1vfw PROTEIN (FUSION
PROTEIN CONSISTING
OF KINESIN-LIKE
PROTEIN KIF1A,
KINESIN HEAVY CHAIN
ISOFORM 5C AND A HIS
TAG

(Mus musculus) 		PF00225
(Kinesin) 		5 ARG A  11
ALA A 326
ILE A 119
VAL A  73
ILE A  77
 ANP  A 500 (-3.7A)
None
None
None
None
 0.94A 4dqbA-1vfwA:
undetectable		 4dqbA-1vfwA:
13.81
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A  70
VAL A 139
ILE A 120
VAL A  89
ILE A  91
 None
 0.90A 4dqbA-1vknA:
undetectable		 4dqbA-1vknA:
16.18
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 ALA A 237
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 0.94A 4dqbA-1wdtA:
undetectable		 4dqbA-1wdtA:
8.55
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.80A 4dqbA-1wsvA:
undetectable		 4dqbA-1wsvA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 LEU A 376
ALA A 374
VAL A 328
VAL A 391
ILE A 393
 None
 0.90A 4dqbA-1wu2A:
undetectable		 4dqbA-1wu2A:
13.92
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.
1xqi NUCLEOSIDE
DIPHOSPHATE KINASE

(Pyrobaculum
aerophilum) 		PF00334
(NDK) 		6 ARG A 165
ASP A  25
ALA A  26
VAL A 171
ILE A 148
ILE A 154
 None
 1.25A 4dqbA-1xqiA:
undetectable		 4dqbA-1xqiA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 LEU A  36
GLY A  47
ILE A   7
VAL A  32
ILE A  33
 None
 0.93A 4dqbA-2cevA:
undetectable		 4dqbA-2cevA:
19.49
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.87A 4dqbA-2cunA:
undetectable		 4dqbA-2cunA:
15.25
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.
2eig LECTIN

(Lotus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 LEU A 146
VAL A 117
ILE A 163
VAL A 140
ILE A 138
 None
 0.86A 4dqbA-2eigA:
undetectable		 4dqbA-2eigA:
18.10
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.
2fb5 HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN

(Bacillus cereus) 		PF02457
(DisA_N)
PF10372
(YojJ) 		5 LEU A 183
ALA A  94
VAL A 138
ILE A 126
ILE A  96
 None
 0.92A 4dqbA-2fb5A:
undetectable		 4dqbA-2fb5A:
15.31
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  53
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.71A 4dqbA-2fmbA:
15.0		 4dqbA-2fmbA:
34.91
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) 		6 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  54
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.99A 4dqbA-2fmbA:
15.0		 4dqbA-2fmbA:
34.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.65A 4dqbA-2fmbA:
15.0		 4dqbA-2fmbA:
34.91
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 LEU A   4
VAL A 145
ILE A 140
VAL A  15
ILE A  17
 None
 0.83A 4dqbA-2g3nA:
undetectable		 4dqbA-2g3nA:
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		6 LEU A 355
VAL A 375
ILE A 377
GLY A 360
ILE A  17
VAL A 341
 None
 1.31A 4dqbA-2ggqA:
undetectable		 4dqbA-2ggqA:
14.10
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.
2i6t UBIQUITIN-CONJUGATIN
G ENZYME E2-LIKE
ISOFORM A

(Homo sapiens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 210
VAL A 248
ILE A 401
VAL A 187
ILE A 185
 None
 0.87A 4dqbA-2i6tA:
undetectable		 4dqbA-2i6tA:
15.13
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.
2lnv GENERAL SECRETION
PATHWAY PROTEIN C

(Dickeya
dadantii) 		PF11356
(T2SSC) 		5 LEU A 145
GLY A  99
PRO A 129
VAL A 128
ILE A 135
 None
 0.90A 4dqbA-2lnvA:
undetectable		 4dqbA-2lnvA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 355
VAL A 371
GLY A 345
ILE A 308
ILE A 328
 None
 0.76A 4dqbA-2p3eA:
undetectable		 4dqbA-2p3eA:
12.14
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.82A 4dqbA-2q0lA:
undetectable		 4dqbA-2q0lA:
15.99
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
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.64A 4dqbA-2rkfA:
20.7		 4dqbA-2rkfA:
79.80
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) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.73A 4dqbA-2rkfA:
20.7		 4dqbA-2rkfA:
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 ALA A 548
ILE A 580
ILE A 536
VAL A 543
ILE A 546
 None
 0.91A 4dqbA-2v5iA:
undetectable		 4dqbA-2v5iA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wia FERROUS IRON
TRANSPORT PROTEIN B

(Klebsiella
pneumoniae) 		PF02421
(FeoB_N) 		5 LEU A   8
VAL A 116
GLY A 155
VAL A  92
ILE A  90
 None
 0.90A 4dqbA-2wiaA:
undetectable		 4dqbA-2wiaA:
14.23
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.83A 4dqbA-2y23A:
undetectable		 4dqbA-2y23A:
17.50
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.
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)
 0.92A 4dqbA-2ynmA:
undetectable		 4dqbA-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.
2z2u UPF0026 PROTEIN
MJ0257

(Methanocaldococcus
jannaschii) 		PF04055
(Radical_SAM)
PF08608
(Wyosine_form) 		5 VAL A 161
ILE A 174
ILE A 151
VAL A 131
ILE A 133
 None
 0.86A 4dqbA-2z2uA:
undetectable		 4dqbA-2z2uA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b54 NUCLEOSIDE
DIPHOSPHATE KINASE

(Saccharomyces
cerevisiae) 		PF00334
(NDK) 		6 ARG A  19
LEU A  21
ILE A  91
GLY A 103
VAL A 117
ILE A  25
 None
 1.21A 4dqbA-3b54A:
undetectable		 4dqbA-3b54A:
24.46
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 LEU A  41
VAL A  21
ILE A 382
GLY A  51
ILE A   5
 None
 0.78A 4dqbA-3dc8A:
undetectable		 4dqbA-3dc8A:
11.79
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.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU A 205
ASP A 155
ILE A 160
VAL A 374
ILE A 372
 None
 0.82A 4dqbA-3dkpA:
undetectable		 4dqbA-3dkpA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eef N-CARBAMOYLSARCOSINE
AMIDASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00857
(Isochorismatase) 		6 ALA A 144
VAL A   7
ILE A  35
ILE A 171
VAL A 114
ILE A 116
 None
 1.46A 4dqbA-3eefA:
undetectable		 4dqbA-3eefA:
19.67
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 ALA A  99
ILE A  75
GLY A 102
ILE A 118
ILE A  15
 None
 0.81A 4dqbA-3fkjA:
undetectable		 4dqbA-3fkjA:
13.61
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		5 LEU A 101
VAL A 215
ILE A 239
VAL A 160
ILE A 162
 None
 0.72A 4dqbA-3krzA:
undetectable		 4dqbA-3krzA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 ASP A 166
VAL A 141
ILE A  48
GLY A 262
ILE A 164
 BGC  A 329 (-3.8A)
None
None
None
None
 0.92A 4dqbA-3kzhA:
undetectable		 4dqbA-3kzhA:
14.02
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.
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio cholerae) 		PF01740
(STAS) 		5 LEU A 475
VAL A 532
GLY A 522
VAL A 505
ILE A 507
 None
 0.73A 4dqbA-3mglA:
undetectable		 4dqbA-3mglA:
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.
3mst PUTATIVE NITRATE
TRANSPORT PROTEIN

(Thermoplasma
volcanium) 		PF12916
(DUF3834) 		6 ALA A 171
ILE A 163
GLY A 191
ILE A 192
PRO A  10
ILE A 174
 None
None
None
None
ACT  A 232 (-4.6A)
None
 1.21A 4dqbA-3mstA:
undetectable		 4dqbA-3mstA:
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		5 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.88A 4dqbA-3mweA:
undetectable		 4dqbA-3mweA:
12.83
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
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 None
 1.49A 4dqbA-3mwsA:
19.7		 4dqbA-3mwsA:
79.80
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) 		12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.57A 4dqbA-3mwsA:
19.7		 4dqbA-3mwsA:
79.80
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 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 None
 0.94A 4dqbA-3mwsA:
19.7		 4dqbA-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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 LEU A 243
ALA A 205
ILE A 232
GLY A 117
ILE A 239
 None
 0.94A 4dqbA-3omnA:
undetectable		 4dqbA-3omnA:
11.66
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 LEU A 162
ALA A 136
ASP A 122
VAL A 124
ILE A 143
 None
CA  A 406 (-4.5A)
CA  A 404 ( 2.4A)
None
None
 0.90A 4dqbA-3p4gA:
undetectable		 4dqbA-3p4gA:
13.23
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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 ALA A 119
VAL A 115
ILE A 103
GLY A 122
ILE A 133
 None
 0.88A 4dqbA-3pmoA:
undetectable		 4dqbA-3pmoA:
15.97
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 LEU A 155
ASP A 303
GLY A  34
VAL A 153
ILE A 306
 None
 0.93A 4dqbA-3psgA:
5.8		 4dqbA-3psgA:
18.79
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 LEU B 298
VAL B  56
ILE B  27
GLY B 276
ILE B 295
 None
 0.90A 4dqbA-3pz2B:
undetectable		 4dqbA-3pz2B:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		6 LEU A  23
ALA A  52
VAL A  79
ILE A 190
VAL A  45
ILE A  47
 None
 1.42A 4dqbA-3qtgA:
undetectable		 4dqbA-3qtgA:
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.55A 4dqbA-3slzA:
11.0		 4dqbA-3slzA:
25.95
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.72A 4dqbA-3slzA:
11.0		 4dqbA-3slzA:
25.95
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ALA A 723
ILE A 708
ILE A 655
VAL A 648
ILE A 667
 None
 0.92A 4dqbA-3szeA:
undetectable		 4dqbA-3szeA:
7.45
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) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.88A 4dqbA-3t3cA:
18.3		 4dqbA-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) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
None
 0.97A 4dqbA-3t3cA:
18.3		 4dqbA-3t3cA:
76.77
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
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.56A 4dqbA-3ttpA:
19.4		 4dqbA-3ttpA:
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) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.84A 4dqbA-3ttpA:
19.4		 4dqbA-3ttpA:
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		6 ARG A 554
LEU A 567
VAL A 351
ILE A 430
GLY A 432
ILE A 356
 None
 1.25A 4dqbA-3u24A:
undetectable		 4dqbA-3u24A:
11.21
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) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.74A 4dqbA-3u7sA:
19.7		 4dqbA-3u7sA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
PRO A  81
VAL A  82
 None
 0.68A 4dqbA-3uhlA:
15.9		 4dqbA-3uhlA:
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.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 115
VAL A  81
GLY A 102
VAL A  33
ILE A  31
 None
 0.90A 4dqbA-3v70A:
undetectable		 4dqbA-3v70A:
17.37
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 LEU A 178
GLY A 313
ILE A 315
VAL A 217
ILE A 219
 None
 0.78A 4dqbA-4avoA:
undetectable		 4dqbA-4avoA:
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.
4d7e L-LYS MONOOXYGENASE

(Nocardia
farcinica) 		PF13434
(K_oxygenase) 		5 ALA A  17
VAL A 124
ILE A  66
ILE A  82
ILE A 128
 None
 0.94A 4dqbA-4d7eA:
undetectable		 4dqbA-4d7eA:
14.69
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.
4doi CHALCONE--FLAVONONE
ISOMERASE 1

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		5 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.94A 4dqbA-4doiA:
undetectable		 4dqbA-4doiA:
19.74
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.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 LEU C 138
VAL C 177
ILE C 158
ILE C 121
ILE C 191
 None
 0.94A 4dqbA-4f4oC:
undetectable		 4dqbA-4f4oC:
17.48
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.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		6 LEU A  13
ALA A 111
VAL A  83
GLY A 117
ILE A   2
VAL A  81
 None
 1.08A 4dqbA-4f82A:
undetectable		 4dqbA-4f82A:
17.88
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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		5 LEU A 387
ILE A 453
GLY A 482
VAL A 427
ILE A 429
 None
 0.92A 4dqbA-4fe9A:
undetectable		 4dqbA-4fe9A:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 LEU A 343
ILE A 356
ILE A 310
VAL A 339
ILE A 340
 None
EDO  A 405 (-3.8A)
None
None
None
 0.73A 4dqbA-4fmzA:
undetectable		 4dqbA-4fmzA:
16.72
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.
4g1g MATRIX PROTEIN

(Avian
avulavirus 1) 		PF00661
(Matrix) 		5 LEU A 322
ALA A 320
ILE A 314
VAL A 208
ILE A 210
 None
 0.92A 4dqbA-4g1gA:
undetectable		 4dqbA-4g1gA:
14.61
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 LEU A 375
ASP A 211
VAL A 209
GLY A 393
ILE A 349
 None
MG  A 501 ( 3.9A)
None
None
None
 0.88A 4dqbA-4gniA:
undetectable		 4dqbA-4gniA:
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		5 LEU A 183
GLY A 208
ILE A 195
VAL A 179
ILE A 180
 None
 0.90A 4dqbA-4h0oA:
undetectable		 4dqbA-4h0oA:
12.87
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 348
VAL A 376
ILE A 453
VAL A 462
ILE A 460
 None
 0.89A 4dqbA-4hv4A:
undetectable		 4dqbA-4hv4A:
13.19
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.
4hyk DNA POLYMERASE IV

(Sulfolobus
acidocaldarius) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 LEU A 109
VAL A 145
ILE A 123
VAL A   6
ILE A   4
 None
 0.92A 4dqbA-4hykA:
undetectable		 4dqbA-4hykA:
15.02
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.
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
 0.86A 4dqbA-4injA:
undetectable		 4dqbA-4injA:
16.19
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.
4je0 SER-ASP RICH
FIBRINOGEN/BONE
SIALOPROTEIN-BINDING
PROTEIN SDRD

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 LEU A  31
VAL A  59
ILE A  94
VAL A  57
ILE A 116
 None
 0.87A 4dqbA-4je0A:
undetectable		 4dqbA-4je0A:
15.46
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 LEU A  29
ASP A   6
ILE A 129
VAL A 118
ILE A   4
 None
 0.85A 4dqbA-4kpoA:
undetectable		 4dqbA-4kpoA:
19.21
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 LEU A  29
ASP A   6
VAL A 120
ILE A 129
ILE A   4
 None
 0.91A 4dqbA-4kpoA:
undetectable		 4dqbA-4kpoA:
19.21
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)
 0.93A 4dqbA-4njvA:
20.5		 4dqbA-4njvA:
82.83
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) 		10 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.58A 4dqbA-4njvA:
20.5		 4dqbA-4njvA:
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 VAL A 177
ILE A 164
GLY A 166
VAL A 172
ILE A 272
 None
 0.91A 4dqbA-4nqyA:
undetectable		 4dqbA-4nqyA:
13.92
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		6 ALA A  69
VAL A  33
GLY A  54
ILE A  84
VAL A 111
ILE A  34
 None
 1.34A 4dqbA-4o99A:
undetectable		 4dqbA-4o99A:
15.27
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.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  21
VAL A   5
ILE A 326
ILE A  13
ILE A  29
 MG  A 401 (-4.5A)
None
None
NAD  A 400 (-4.3A)
None
 0.86A 4dqbA-4p8rA:
undetectable		 4dqbA-4p8rA:
15.65
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
 None
BMA  A 607 ( 2.9A)
None
None
None
 0.93A 4dqbA-4pfwA:
undetectable		 4dqbA-4pfwA:
11.36