SIMILAR PATTERNS OF AMINO ACIDS FOR 4QGI_A_ROCA101_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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU B 449
ALA B 413
ILE B 503
GLY B 499
ILE B 445
 None
 0.94A 4qgiB-1a6dB:
undetectable		 4qgiB-1a6dB:
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.
1eif EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5A

(Methanocaldococcus
jannaschii) 		PF01287
(eIF-5a)
PF08207
(EFP_N) 		5 LEU A  15
VAL A  31
GLY A  52
VAL A  48
ILE A  30
 None
 0.91A 4qgiB-1eifA:
undetectable		 4qgiB-1eifA:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.69A 4qgiB-1hvcA:
14.0		 4qgiB-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
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)
 0.61A 4qgiB-1hvcA:
14.0		 4qgiB-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.62A 4qgiB-1hvcA:
14.0		 4qgiB-1hvcA:
97.98
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
ALA A  28
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
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)
 0.84A 4qgiB-1hvcA:
14.0		 4qgiB-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
ALA A  28
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 ( 4.3A)
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)
 0.69A 4qgiB-1hvcA:
14.0		 4qgiB-1hvcA:
97.98
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.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 LEU A 209
ALA A 136
GLY A 183
VAL A 231
ILE A 210
 None
 0.87A 4qgiB-1hylA:
undetectable		 4qgiB-1hylA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 LEU A  71
ASP A  67
ILE A 171
ILE A  59
ILE A  70
 None
 0.96A 4qgiB-1jqeA:
undetectable		 4qgiB-1jqeA:
13.94
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		6 LEU A 120
VAL A 124
ILE A 129
ILE A 231
VAL A 115
ILE A 116
 None
 1.44A 4qgiB-1mroA:
undetectable		 4qgiB-1mroA:
10.74
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) 		5 ASP A  25
ALA A  28
VAL A  32
PRO A  81
ILE A  84
 None
 0.55A 4qgiB-1q9pA:
10.3		 4qgiB-1q9pA:
92.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.81A 4qgiB-1sivA:
17.9		 4qgiB-1sivA:
48.48
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
 0.65A 4qgiB-1sivA:
17.9		 4qgiB-1sivA:
48.48
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 VAL A 356
GLY A 341
ILE A 344
VAL A 306
ILE A 308
 None
 0.98A 4qgiB-1u2xA:
undetectable		 4qgiB-1u2xA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		5 LEU A 285
ALA A 213
ILE A 236
ILE A 220
ILE A 287
 None
SO4  A 704 ( 4.5A)
None
None
SO4  A 704 (-4.1A)
 0.91A 4qgiB-1u6zA:
undetectable		 4qgiB-1u6zA:
12.45
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.
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
 0.85A 4qgiB-1usyC:
undetectable		 4qgiB-1usyC:
14.90
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 LEU A 276
ALA A 214
VAL A 236
GLY A 222
ILE A 212
 None
 0.88A 4qgiB-1v5fA:
undetectable		 4qgiB-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.
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)
 0.89A 4qgiB-1wsvA:
undetectable		 4qgiB-1wsvA:
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.
1xbz 3-KETO-L-GULONATE
6-PHOSPHATE
DECARBOXYLASE

(Escherichia
coli) 		PF00215
(OMPdecase) 		6 ARG A  23
LEU A  24
ALA A 204
VAL A  29
GLY A 191
ILE A  25
 None
None
None
None
LX1  A 501 (-3.5A)
None
 1.50A 4qgiB-1xbzA:
undetectable		 4qgiB-1xbzA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		5 ALA A 128
VAL A 146
ILE A 159
GLY A 161
VAL A 141
 None
 0.85A 4qgiB-1xfjA:
undetectable		 4qgiB-1xfjA:
15.44
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		5 LEU A 182
GLY A 153
ILE A 124
VAL A 189
ILE A 187
 None
 0.85A 4qgiB-1yxyA:
undetectable		 4qgiB-1yxyA:
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 LEU A 433
ILE A 403
ILE A 259
VAL A 424
ILE A 430
 None
 0.93A 4qgiB-2bwsA:
undetectable		 4qgiB-2bwsA:
13.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
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)
 0.64A 4qgiB-2fmbA:
15.0		 4qgiB-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) 		7 ASP A  25
ALA A  28
VAL A  32
GLY A  54
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.69A 4qgiB-2fmbA:
15.0		 4qgiB-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.
2hxr HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CYNR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		5 LEU A 267
VAL A  97
GLY A 107
VAL A 143
ILE A 145
 None
 0.94A 4qgiB-2hxrA:
undetectable		 4qgiB-2hxrA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nr7 SECRETION ACTIVATOR
PROTEIN, PUTATIVE

(Porphyromonas
gingivalis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		5 LEU A 134
GLY A 102
ILE A 103
VAL A  87
ILE A 138
 None
 0.80A 4qgiB-2nr7A:
undetectable		 4qgiB-2nr7A:
22.70
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 LEU A  28
ALA A   9
VAL A  56
VAL A  54
ILE A  30
 None
 0.95A 4qgiB-2ph3A:
undetectable		 4qgiB-2ph3A:
18.75
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		5 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.87A 4qgiB-2pyxA:
undetectable		 4qgiB-2pyxA:
10.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 4qgiB-2q0lA:
undetectable		 4qgiB-2q0lA:
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.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		5 LEU A  95
VAL A  34
ILE A  14
VAL A  86
ILE A  84
 None
GOL  A 166 ( 4.5A)
None
None
None
 0.84A 4qgiB-2qdlA:
undetectable		 4qgiB-2qdlA:
20.73
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.
2qpz NAPHTHALENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT

(Pseudomonas
putida) 		PF00355
(Rieske) 		5 LEU A 102
ALA A   7
VAL A  91
ILE A  37
ILE A 100
 None
 0.94A 4qgiB-2qpzA:
undetectable		 4qgiB-2qpzA:
22.32
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.
2r9z GLUTATHIONE AMIDE
REDUCTASE

(Marichromatium
gracile) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 105
ALA A  20
ILE A  33
GLY A  12
ILE A 107
 None
None
FAD  A 500 ( 4.7A)
FAD  A 500 ( 4.9A)
None
 0.95A 4qgiB-2r9zA:
undetectable		 4qgiB-2r9zA:
10.80
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.51A 4qgiB-2rkfA:
19.9		 4qgiB-2rkfA:
85.86
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 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.66A 4qgiB-2rkfA:
19.9		 4qgiB-2rkfA:
85.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfl DYNE7

(Micromonospora
chersina) 		PF13279
(4HBT_2) 		5 ARG A 139
LEU A  90
VAL A 119
VAL A 134
ILE A  95
 None
 0.95A 4qgiB-2xflA:
undetectable		 4qgiB-2xflA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xwu IMPORTIN13

(Homo sapiens) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		5 LEU B 610
ILE B 640
GLY B 642
VAL B 680
ILE B 614
 None
 0.85A 4qgiB-2xwuB:
undetectable		 4qgiB-2xwuB:
8.12
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
 0.80A 4qgiB-2z5xA:
undetectable		 4qgiB-2z5xA:
12.67
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 LEU A 681
ALA A 661
GLY A 655
VAL A 692
ILE A 687
 None
 0.90A 4qgiB-2zj8A:
undetectable		 4qgiB-2zj8A:
8.10
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.
2zz8 LIPL32 PROTEIN

(Leptospira
interrogans) 		PF12103
(Lipl32) 		5 LEU A  63
VAL A 118
ILE A 165
GLY A  75
ILE A 193
 None
 0.95A 4qgiB-2zz8A:
undetectable		 4qgiB-2zz8A:
17.45
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 LEU A 116
ASP A 118
VAL A   7
GLY A 122
ILE A  30
 None
 0.89A 4qgiB-3cp8A:
undetectable		 4qgiB-3cp8A:
10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 LEU A 148
ALA A  12
VAL A  38
GLY A  25
ILE A  10
 None
 0.83A 4qgiB-3dfiA:
undetectable		 4qgiB-3dfiA:
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.
3f3k UNCHARACTERIZED
PROTEIN YKR043C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		5 ARG A 181
VAL A 173
ILE A 155
ILE A 186
ILE A  10
 None
 0.90A 4qgiB-3f3kA:
undetectable		 4qgiB-3f3kA:
16.98
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		5 LEU A 121
GLY A 102
ILE A 103
VAL A 125
ILE A 124
 None
 0.91A 4qgiB-3ht4A:
undetectable		 4qgiB-3ht4A:
14.58
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.
3jzl PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
monocytogenes) 		PF06838
(Met_gamma_lyase) 		5 LEU A 114
GLY A  95
ILE A  96
VAL A 118
ILE A 117
 None
 0.93A 4qgiB-3jzlA:
undetectable		 4qgiB-3jzlA:
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.
3k53 FERROUS IRON
TRANSPORT PROTEIN B

(Pyrococcus
furiosus) 		PF02421
(FeoB_N) 		6 ALA A   7
ILE A  88
GLY A  10
ILE A  60
VAL A 109
ILE A  85
 None
 1.20A 4qgiB-3k53A:
undetectable		 4qgiB-3k53A:
19.69
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 ALA A 167
VAL A 146
ILE A 137
VAL A 177
ILE A 174
 None
 0.75A 4qgiB-3lkbA:
undetectable		 4qgiB-3lkbA:
13.94
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.
3lov PROTOPORPHYRINOGEN
OXIDASE

(Exiguobacterium
sibiricum) 		PF01593
(Amino_oxidase) 		5 LEU A 387
VAL A 358
ILE A  54
ILE A 402
PRO A 397
 None
 0.97A 4qgiB-3lovA:
undetectable		 4qgiB-3lovA:
12.72
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.
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
 0.97A 4qgiB-3mglA:
undetectable		 4qgiB-3mglA:
23.08
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) 		6 ALA A  28
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.67A 4qgiB-3mwsA:
19.3		 4qgiB-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) 		9 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.63A 4qgiB-3mwsA:
19.3		 4qgiB-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) 		9 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.72A 4qgiB-3mwsA:
19.3		 4qgiB-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.
3nwg MICROCOMPARTMENTS
PROTEIN

(Desulfitobacterium
hafniense) 		PF00936
(BMC) 		5 LEU A  30
VAL A  52
ILE A  72
ILE A 104
ILE A  45
 None
 0.98A 4qgiB-3nwgA:
undetectable		 4qgiB-3nwgA:
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.
3qkc GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Antirrhinum
majus) 		no annotation 5 LEU B 183
VAL B 154
ILE B 115
VAL B 147
ILE B 153
 None
 0.85A 4qgiB-3qkcB:
undetectable		 4qgiB-3qkcB:
17.97
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.
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
 1.40A 4qgiB-3qtgA:
undetectable		 4qgiB-3qtgA:
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 LEU A  14
VAL A 290
ILE A  46
GLY A  58
ILE A  59
 None
FAD  A 501 (-4.0A)
FAD  A 501 (-4.3A)
None
None
 0.93A 4qgiB-3r9uA:
undetectable		 4qgiB-3r9uA:
14.97
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.67A 4qgiB-3slzA:
11.2		 4qgiB-3slzA:
26.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.36A 4qgiB-3t3cA:
18.4		 4qgiB-3t3cA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
 0.68A 4qgiB-3t3cA:
18.4		 4qgiB-3t3cA:
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.
3tqv NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Francisella
tularensis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 138
VAL A 247
ILE A 232
VAL A 269
ILE A 267
 None
 0.94A 4qgiB-3tqvA:
undetectable		 4qgiB-3tqvA:
15.90
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.
3tsn 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Campylobacter
jejuni) 		PF04166
(PdxA) 		5 ALA A  44
ILE A   8
GLY A  15
ILE A  14
ILE A  96
 None
 0.88A 4qgiB-3tsnA:
undetectable		 4qgiB-3tsnA:
12.61
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
LEU A  23
ASP A  25
ALA A  28
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 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.74A 4qgiB-3ttpA:
19.1		 4qgiB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.60A 4qgiB-3u7sA:
19.1		 4qgiB-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.63A 4qgiB-3u7sA:
19.1		 4qgiB-3u7sA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  82
 None
 0.54A 4qgiB-3uhlA:
16.0		 4qgiB-3uhlA:
76.77
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
 0.55A 4qgiB-3uhlA:
16.0		 4qgiB-3uhlA:
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.
3v10 RHUSIOPATHIAE
SURFACE PROTEIN B

(Erysipelothrix
rhusiopathiae) 		PF05737
(Collagen_bind) 		5 ALA A 261
VAL A 246
ILE A 269
GLY A 267
ILE A 257
 None
 0.85A 4qgiB-3v10A:
undetectable		 4qgiB-3v10A:
14.75
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.
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
 0.81A 4qgiB-3v70A:
undetectable		 4qgiB-3v70A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vid VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 898
ILE A 892
ILE A1025
VAL A1012
ILE A1044
 None
 0.92A 4qgiB-3vidA:
undetectable		 4qgiB-3vidA:
15.45
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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 LEU A  99
ALA A 172
GLY A 166
VAL A 145
ILE A 103
 None
 0.89A 4qgiB-3wrcA:
undetectable		 4qgiB-3wrcA:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxm PROTEIN PELOTA
HOMOLOG

(Aeropyrum
pernix) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		5 ALA B 129
VAL B 195
ILE B 244
VAL B 232
ILE B 131
 None
 0.96A 4qgiB-3wxmB:
undetectable		 4qgiB-3wxmB:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 898
ILE A 892
ILE A1025
VAL A1012
ILE A1044
 None
 0.79A 4qgiB-3wzdA:
undetectable		 4qgiB-3wzdA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
487d PROTEIN (50S L2
RIBOSOMAL PROTEIN)

(Geobacillus
stearothermophilus) 		PF00181
(Ribosomal_L2)
PF03947
(Ribosomal_L2_C) 		5 LEU I 153
ALA I 161
ILE I 134
ILE I 172
ILE I 143
 None
 0.94A 4qgiB-487dI:
undetectable		 4qgiB-487dI:
20.90
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.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 LEU A 352
GLY A 315
ILE A 281
VAL A 360
ILE A 358
 None
 0.89A 4qgiB-4a1oA:
undetectable		 4qgiB-4a1oA:
10.94
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 ARG A 505
VAL A 558
GLY A 515
ILE A 500
ILE A 548
 None
 0.96A 4qgiB-4a2lA:
undetectable		 4qgiB-4a2lA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a4l SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 182
VAL A 113
ILE A 296
VAL A 190
ILE A 192
 None
 0.97A 4qgiB-4a4lA:
undetectable		 4qgiB-4a4lA:
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.
4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 898
ILE A 892
ILE A1025
VAL A1012
ILE A1044
 None
 0.90A 4qgiB-4agdA:
undetectable		 4qgiB-4agdA:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.93A 4qgiB-4ao7A:
undetectable		 4qgiB-4ao7A:
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 0.95A 4qgiB-4c30A:
undetectable		 4qgiB-4c30A:
10.53
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.
4clc UPF0303 PROTEIN
YBR137W

(Saccharomyces
cerevisiae) 		PF03928
(Haem_degrading) 		6 LEU E 151
ALA E 160
ILE E  63
GLY E  43
VAL E  59
ILE E 148
 None
 1.35A 4qgiB-4clcE:
undetectable		 4qgiB-4clcE:
17.98
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 LEU A 283
ILE A  66
GLY A  69
VAL A 364
ILE A 365
 None
 0.97A 4qgiB-4cnsA:
undetectable		 4qgiB-4cnsA:
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  56
GLY A  71
ILE A  83
 None
 0.88A 4qgiB-4d1tA:
undetectable		 4qgiB-4d1tA:
17.90
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		5 ALA A 159
VAL A  96
ILE A 148
GLY A 146
ILE A  59
 None
 0.90A 4qgiB-4fx5A:
undetectable		 4qgiB-4fx5A:
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.
4jdu AEROTOLERANCE-RELATE
D MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF00092
(VWA) 		5 LEU A 223
ALA A 115
ILE A 160
VAL A 194
ILE A 196
 None
MLY  A 116 ( 3.1A)
MLY  A 116 ( 4.2A)
None
None
 0.96A 4qgiB-4jduA:
undetectable		 4qgiB-4jduA:
21.71
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 428
VAL A 452
GLY A 410
ILE A 409
ILE A 438
 None
 0.94A 4qgiB-4jq9A:
undetectable		 4qgiB-4jq9A:
11.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.64A 4qgiB-4njvA:
19.6		 4qgiB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.45A 4qgiB-4njvA:
19.6		 4qgiB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
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)
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)
 0.73A 4qgiB-4njvA:
19.6		 4qgiB-4njvA:
85.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.93A 4qgiB-4nkyA:
undetectable		 4qgiB-4nkyA:
10.93
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.
4nox EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Chaetomium
thermophilum) 		PF08662
(eIF2A) 		6 LEU A 329
ALA A 327
VAL A 351
ILE A 397
VAL A 356
ILE A 335
 None
 1.28A 4qgiB-4noxA:
undetectable		 4qgiB-4noxA:
9.28
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.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 LEU A 178
VAL A 229
GLY A 239
ILE A 221
VAL A 198
 None
 0.96A 4qgiB-4nu2A:
undetectable		 4qgiB-4nu2A:
18.11
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.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 LEU A 312
VAL A  50
ILE A  61
VAL A 315
ILE A 310
 None
 0.94A 4qgiB-4oqrA:
undetectable		 4qgiB-4oqrA:
14.96
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 LEU A 312
VAL A  50
ILE A  61
VAL A 315
ILE A 310
 None
 0.97A 4qgiB-4oqsA:
undetectable		 4qgiB-4oqsA:
13.03
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.
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
 0.94A 4qgiB-4p8rA:
undetectable		 4qgiB-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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 LEU A 432
ILE A 402
ILE A 257
VAL A 423
ILE A 429
 None
 0.95A 4qgiB-4pv4A:
undetectable		 4qgiB-4pv4A:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		5 LEU A 166
VAL A  88
GLY A 107
ILE A 337
ILE A 146
 None
 0.84A 4qgiB-4pyrA:
undetectable		 4qgiB-4pyrA:
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.
4tv7 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2)
PF00392
(GntR) 		5 ALA A 268
ILE A 234
ILE A 262
PRO A 246
ILE A 276
 None
 0.93A 4qgiB-4tv7A:
undetectable		 4qgiB-4tv7A:
11.83
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.
4xxp PUTATIVE
UNCHARACTERIZED
PROTEIN (RV0315
ORTHOLOG)

(Mycobacterium
avium) 		PF00722
(Glyco_hydro_16) 		5 LEU A 152
VAL A 177
GLY A 208
VAL A 162
ILE A 160
 None
 0.91A 4qgiB-4xxpA:
undetectable		 4qgiB-4xxpA:
16.73
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) 		7 ARG A  10
LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.67A 4qgiB-4ydfA:
12.9		 4qgiB-4ydfA:
31.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		6 VAL A 221
ILE A 187
GLY A 205
ILE A 206
VAL A 214
ILE A 249
 None
 1.09A 4qgiB-4ywlA:
undetectable		 4qgiB-4ywlA:
18.02
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.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  57
GLY A  71
ILE A  83
 None
 0.90A 4qgiB-5a87A:
undetectable		 4qgiB-5a87A:
17.14