SIMILAR PATTERNS OF AMINO ACIDS FOR 4DQC_A_017A101_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.
1bu8 PROTEIN (PANCREATIC
LIPASE RELATED
PROTEIN 2)

(Rattus
norvegicus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A 161
VAL A 124
GLY A 150
ILE A 149
ILE A 128
 None
 1.02A 4dqcA-1bu8A:
undetectable		 4dqcA-1bu8A:
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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		5 ALA B 240
GLY B 173
ILE B 175
VAL B 250
ILE B 248
 None
 0.98A 4dqcA-1ccwB:
undetectable		 4dqcA-1ccwB:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ARG A 465
ALA A 416
GLY A 410
ILE A 447
ILE A 463
 None
 1.10A 4dqcA-1csjA:
undetectable		 4dqcA-1csjA:
12.50
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.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		5 ALA A  82
VAL A 171
GLY A 320
ILE A 321
ILE A 125
 None
 1.02A 4dqcA-1gzgA:
undetectable		 4dqcA-1gzgA:
15.08
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 ALA A 736
GLY A 631
PRO A1012
VAL A 958
ILE A 943
 None
 1.03A 4dqcA-1hn0A:
undetectable		 4dqcA-1hn0A:
6.66
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) 		9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
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 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.51A 4dqcA-1hvcA:
14.3		 4dqcA-1hvcA:
45.81
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) 		9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
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 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.44A 4dqcA-1hvcA:
14.3		 4dqcA-1hvcA:
45.81
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
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 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.99A 4dqcA-1hvcA:
14.3		 4dqcA-1hvcA:
45.81
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)
 1.05A 4dqcA-1hvcA:
14.3		 4dqcA-1hvcA:
45.81
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		5 ASP A 105
GLY A  11
ILE A  38
VAL A  90
ILE A  78
 SO4  A2003 (-2.9A)
HMH  A2001 (-3.6A)
None
None
None
 1.10A 4dqcA-1jxiA:
undetectable		 4dqcA-1jxiA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 ARG Q 338
ALA Q 356
GLY Q 109
ILE Q 108
ILE Q 195
 None
 0.96A 4dqcA-1oh2Q:
undetectable		 4dqcA-1oh2Q:
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.
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
 1.09A 4dqcA-1ovmA:
undetectable		 4dqcA-1ovmA:
9.78
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
 0.80A 4dqcA-1q9pA:
10.1		 4dqcA-1q9pA:
94.74
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  29
GLY A  49
ILE A  50
ILE A  84
 None
 1.45A 4dqcA-1sivA:
18.2		 4dqcA-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) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.43A 4dqcA-1sivA:
18.2		 4dqcA-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
 0.78A 4dqcA-1sivA:
18.2		 4dqcA-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.
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
 0.69A 4dqcA-1usyC:
undetectable		 4dqcA-1usyC:
16.02
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.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 ALA A 122
VAL A  89
ILE A 169
VAL A 147
ILE A 149
 None
 0.98A 4dqcA-1uwwA:
undetectable		 4dqcA-1uwwA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4dqcA-1v5fA:
undetectable		 4dqcA-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.
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
 0.89A 4dqcA-1wdtA:
undetectable		 4dqcA-1wdtA:
8.40
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.
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
 1.05A 4dqcA-1wdtA:
undetectable		 4dqcA-1wdtA:
8.40
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		5 ALA A 129
GLY A 161
ILE A 159
VAL A  20
ILE A 257
 None
 1.11A 4dqcA-1xfjA:
undetectable		 4dqcA-1xfjA:
17.05
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.
2a33 HYPOTHETICAL PROTEIN

(Arabidopsis
thaliana) 		PF03641
(Lysine_decarbox) 		5 ALA A 171
GLY A 136
ILE A 137
VAL A 142
ILE A 174
 None
 1.12A 4dqcA-2a33A:
undetectable		 4dqcA-2a33A:
21.08
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.
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
 1.00A 4dqcA-2dppB:
undetectable		 4dqcA-2dppB:
16.16
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 4dqcA-2fmbA:
15.1		 4dqcA-2fmbA:
33.96
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 ASP A  25
ALA A  28
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 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)
 0.60A 4dqcA-2fmbA:
15.1		 4dqcA-2fmbA:
33.96
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.
2glw 92AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		no annotation 5 ALA A  54
GLY A  60
ILE A  18
VAL A  82
ILE A  37
 None
 1.08A 4dqcA-2glwA:
undetectable		 4dqcA-2glwA:
24.27
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.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 1.02A 4dqcA-2hc8A:
undetectable		 4dqcA-2hc8A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 ARG A 254
VAL A 109
GLY A 145
VAL A  31
ILE A  33
 None
 1.06A 4dqcA-2it4A:
undetectable		 4dqcA-2it4A:
15.62
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.
2og9 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 128
GLY A 120
ILE A 119
VAL A  18
ILE A  54
 None
 1.05A 4dqcA-2og9A:
undetectable		 4dqcA-2og9A:
14.32
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.
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
 0.79A 4dqcA-2p3eA:
undetectable		 4dqcA-2p3eA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q4d LYSINE
DECARBOXYLASE-LIKE
PROTEIN AT5G11950

(Arabidopsis
thaliana) 		PF03641
(Lysine_decarbox) 		5 ALA A 167
GLY A 132
ILE A 133
VAL A 138
ILE A 170
 None
 1.05A 4dqcA-2q4dA:
undetectable		 4dqcA-2q4dA:
18.98
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.
2q7x UPF0052 PROTEIN
SP_1565

(Streptococcus
pneumoniae) 		PF01933
(UPF0052) 		5 ARG A 300
GLY A 192
PRO A  16
VAL A  17
ILE A  18
 None
 1.12A 4dqcA-2q7xA:
undetectable		 4dqcA-2q7xA:
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.
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
 1.08A 4dqcA-2qecA:
undetectable		 4dqcA-2qecA:
17.89
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) 		8 ARG A   8
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)
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)
 0.61A 4dqcA-2rkfA:
20.6		 4dqcA-2rkfA:
78.79
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)
 0.76A 4dqcA-2rkfA:
20.6		 4dqcA-2rkfA:
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 ALA A  19
VAL A 231
GLY A 162
VAL A 222
ILE A 220
 None
 1.11A 4dqcA-2wqdA:
undetectable		 4dqcA-2wqdA:
12.29
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 ASP A  34
VAL A  35
GLY A  20
ILE A  21
PRO A 224
 None
 1.08A 4dqcA-2xioA:
undetectable		 4dqcA-2xioA:
16.89
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.78A 4dqcA-2y23A:
undetectable		 4dqcA-2y23A:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ARG A 119
GLY A 185
ILE A 184
VAL A 115
ILE A 189
 None
 1.11A 4dqcA-2yv2A:
undetectable		 4dqcA-2yv2A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		5 ARG A 182
VAL A 273
GLY A 187
ILE A 208
PRO A 246
 None
 1.07A 4dqcA-3dp7A:
undetectable		 4dqcA-3dp7A:
14.87
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.
3emj INORGANIC
PYROPHOSPHATASE

(Rickettsia
prowazekii) 		PF00719
(Pyrophosphatase) 		5 ALA A  75
ASP A 114
ILE A 106
VAL A  17
ILE A  85
 None
 1.03A 4dqcA-3emjA:
undetectable		 4dqcA-3emjA:
18.29
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.
3fw0 PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01436
(NHL) 		5 ASP A 652
VAL A 660
GLY A 621
ILE A 619
VAL A 648
 None
 1.08A 4dqcA-3fw0A:
undetectable		 4dqcA-3fw0A:
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 1.08A 4dqcA-3j08A:
undetectable		 4dqcA-3j08A:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 1.03A 4dqcA-3j09A:
undetectable		 4dqcA-3j09A:
8.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		6 ALA A 209
ASP A 207
VAL A 175
ILE A  93
VAL A 203
ILE A 205
 None
 1.23A 4dqcA-3lunA:
undetectable		 4dqcA-3lunA:
16.21
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) 		10 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.54A 4dqcA-3mwsA:
19.4		 4dqcA-3mwsA:
77.78
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
 0.99A 4dqcA-3mwsA:
19.4		 4dqcA-3mwsA:
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.
3r6y ASPARTASE

(Bacillus sp.
YM55-1) 		PF00206
(Lyase_1) 		5 ALA A  57
VAL A 135
GLY A  50
ILE A  82
ILE A  74
 ALA  A  57 ( 0.0A)
VAL  A 135 ( 0.6A)
GLY  A  50 ( 0.0A)
ILE  A  82 ( 0.7A)
ILE  A  74 ( 0.7A)
 1.10A 4dqcA-3r6yA:
undetectable		 4dqcA-3r6yA:
15.36
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 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.77A 4dqcA-3t3cA:
18.2		 4dqcA-3t3cA:
74.75
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 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.93A 4dqcA-3t3cA:
18.2		 4dqcA-3t3cA:
74.75
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 ARG A   8
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)
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)
 0.51A 4dqcA-3ttpA:
19.1		 4dqcA-3ttpA:
75.76
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
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
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 201 ( 3.5A)
017  A 202 (-4.0A)
 0.70A 4dqcA-3u7sA:
19.4		 4dqcA-3u7sA:
73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w64 MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 0.98A 4dqcA-3w64A:
undetectable		 4dqcA-3w64A:
20.79
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.
3w8g MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 1.00A 4dqcA-3w8gA:
undetectable		 4dqcA-3w8gA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ALA A 610
VAL A 582
ILE A 562
VAL A 577
ILE A 581
 None
 1.10A 4dqcA-4am3A:
undetectable		 4dqcA-4am3A:
9.27
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.90A 4dqcA-4ao7A:
undetectable		 4dqcA-4ao7A:
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 ALA A 308
GLY A 313
ILE A 315
VAL A 217
ILE A 219
 None
 1.02A 4dqcA-4avoA:
undetectable		 4dqcA-4avoA:
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.
4bem F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii) 		PF00137
(ATP-synt_C) 		5 ALA J 172
GLY J 165
ILE J 166
VAL J  87
ILE J  88
 None
None
None
HTG  J1187 (-4.5A)
None
 1.10A 4dqcA-4bemJ:
undetectable		 4dqcA-4bemJ:
20.99
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.99A 4dqcA-4c3yA:
undetectable		 4dqcA-4c3yA:
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ARG A 317
ALA B 225
ASP B 224
GLY B 271
VAL A 325
 None
 1.09A 4dqcA-4cakA:
undetectable		 4dqcA-4cakA:
7.60
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.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		5 ALA A 111
VAL A  83
GLY A 117
ILE A   2
VAL A  81
 None
 1.09A 4dqcA-4f82A:
undetectable		 4dqcA-4f82A:
17.32
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 ALA A  40
GLY A  33
ILE A  32
VAL A  79
ILE A  52
 None
GOL  A 401 ( 4.1A)
None
None
None
 0.98A 4dqcA-4gm6A:
undetectable		 4dqcA-4gm6A:
13.65
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.
4j1y COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ARG A 572
ALA A 585
GLY A 620
VAL A 653
ILE A 567
 None
 1.04A 4dqcA-4j1yA:
undetectable		 4dqcA-4j1yA:
16.28
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.
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
 1.12A 4dqcA-4m69A:
undetectable		 4dqcA-4m69A:
14.59
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)
 0.91A 4dqcA-4njvA:
20.3		 4dqcA-4njvA:
80.81
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) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
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 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 4dqcA-4njvA:
20.3		 4dqcA-4njvA:
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.
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 4dqcA-4pfwA:
undetectable		 4dqcA-4pfwA:
10.99
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.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 ARG A 243
VAL A 109
GLY A 145
VAL A  31
ILE A  33
 None
 1.10A 4dqcA-4qk3A:
undetectable		 4dqcA-4qk3A:
17.84
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.
4qnn PHOSPHOLIPASE A 1
FROM HORNET(VESPA
BASALIS) VENOM

(Vespa basalis) 		PF00151
(Lipase) 		5 ALA A 146
VAL A 109
GLY A 135
ILE A 134
ILE A 113
 None
 1.03A 4dqcA-4qnnA:
undetectable		 4dqcA-4qnnA:
18.57
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		5 ALA A 169
ASP A 175
VAL A 178
GLY A 198
ILE A 179
 None
 1.03A 4dqcA-4u0gA:
undetectable		 4dqcA-4u0gA:
18.72
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.
4u8g PUTATIVE
UNCHARACTERIZED
PROTEIN GBS1891

(Streptococcus
agalactiae) 		PF13561
(adh_short_C2) 		5 ASP A  71
GLY A  21
ILE A  19
VAL A  82
ILE A  78
 None
 1.02A 4dqcA-4u8gA:
undetectable		 4dqcA-4u8gA:
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.
4wer DIACYLGLYCEROL
KINASE CATALYTIC
DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF00781
(DAGK_cat) 		5 ALA A  46
VAL A  63
GLY A  76
VAL A   5
ILE A   7
 None
 0.99A 4dqcA-4werA:
undetectable		 4dqcA-4werA:
16.39
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.
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
 1.10A 4dqcA-4x5sA:
undetectable		 4dqcA-4x5sA:
18.00
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 1.03A 4dqcA-4xr9A:
undetectable		 4dqcA-4xr9A:
14.00
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ALA A  51
GLY A  25
ILE A  34
VAL A 453
ILE A  63
 None
 1.08A 4dqcA-4xwtA:
undetectable		 4dqcA-4xwtA:
11.55
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) 		5 ARG A  10
ASP A  32
ALA A  35
VAL A  39
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-4.8A)
 0.76A 4dqcA-4ydfA:
13.1		 4dqcA-4ydfA:
32.48
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) 		5 ASP A  32
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.52A 4dqcA-4ydfA:
13.1		 4dqcA-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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ALA A 330
ASP A 444
ILE A 324
VAL A 364
ILE A 362
 None
 1.07A 4dqcA-5bwiA:
undetectable		 4dqcA-5bwiA:
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 ALA A 153
GLY A  87
ILE A 166
VAL A 186
ILE A 154
 None
 0.94A 4dqcA-5d3mA:
undetectable		 4dqcA-5d3mA:
15.95
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.
5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS

(Mus musculus) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 0.99A 4dqcA-5eg6C:
undetectable		 4dqcA-5eg6C:
13.46
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.
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
 1.10A 4dqcA-5eztX:
undetectable		 4dqcA-5eztX:
19.72
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.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		5 ALA A 145
GLY A 291
ILE A 290
VAL A 349
ILE A 350
 None
MPG  A 625 ( 3.7A)
MPG  A 625 ( 4.6A)
None
None
 0.88A 4dqcA-5f15A:
undetectable		 4dqcA-5f15A:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 ALA A 342
ASP A 341
GLY A 250
ILE A 234
ILE A 343
 None
NAG  A 704 ( 4.2A)
None
None
None
 1.11A 4dqcA-5gqfA:
undetectable		 4dqcA-5gqfA:
10.32
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.
5hsp MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 0.99A 4dqcA-5hspA:
undetectable		 4dqcA-5hspA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 4dqcA-5izkA:
undetectable		 4dqcA-5izkA:
11.99
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.
5kwa PROTEASOME-ASSOCIATE
D ATPASE

(Mycobacterium
tuberculosis) 		PF00004
(AAA)
PF16450
(Prot_ATP_ID_OB) 		5 ASP A 492
VAL A 552
ILE A 544
VAL A 522
ILE A 551
 None
 1.11A 4dqcA-5kwaA:
undetectable		 4dqcA-5kwaA:
11.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ASP A 220
ALA A 218
GLY A 212
ILE A 210
VAL A 164
 None
 1.08A 4dqcA-5li8A:
undetectable		 4dqcA-5li8A:
13.00
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.
5mz9 -

(-) 		no annotation 5 ALA A 303
GLY A 387
ILE A 385
VAL A 547
ILE A 395
 None
 0.96A 4dqcA-5mz9A:
undetectable		 4dqcA-5mz9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 ALA A 392
GLY A 385
ILE A 386
VAL A 160
ILE A 159
 None
 1.01A 4dqcA-5nvaA:
undetectable		 4dqcA-5nvaA:
19.19
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 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.40A 4dqcA-5t2zA:
19.5		 4dqcA-5t2zA:
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ALA A  97
GLY A 130
ILE A 125
VAL A 116
ILE A  93
 None
 1.11A 4dqcA-5tr7A:
undetectable		 4dqcA-5tr7A:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 ALA A 170
ASP A 172
GLY A 164
ILE A 163
VAL A 137
 None
 1.06A 4dqcA-5u2wA:
undetectable		 4dqcA-5u2wA:
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.
5vf3 CAPSID VERTEX
PROTEIN GP24

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 ALA a 395
VAL a 388
ILE a 163
PRO a 385
ILE a 398
 None
 1.06A 4dqcA-5vf3a:
undetectable		 4dqcA-5vf3a:
14.21
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.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		5 ARG A 238
ASP A 327
VAL A 351
GLY A 159
ILE A 324
 None
 1.07A 4dqcA-5w8pA:
undetectable		 4dqcA-5w8pA:
14.25
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
 0.63A 4dqcA-6upjA:
17.5		 4dqcA-6upjA:
50.98
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
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.97A 4dqcA-6upjA:
17.5		 4dqcA-6upjA:
50.98
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
 0.62A 4dqcA-6upjA:
17.5		 4dqcA-6upjA:
50.98
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 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
 0.93A 4dqcA-6upjA:
17.5		 4dqcA-6upjA:
50.98
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
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.93A 4dqcA-6upjA:
17.5		 4dqcA-6upjA:
50.98