SIMILAR PATTERNS OF AMINO ACIDS FOR 2B60_B_RITB100_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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		5 GLY A 305
ALA A 306
ASP A 307
ILE A 255
ILE A 301
 None
 0.88A 2b60B-1b4eA:
undetectable		 2b60B-1b4eA:
15.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.97A 2b60B-1hvcA:
13.4		 2b60B-1hvcA:
91.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
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)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.66A 2b60B-1hvcA:
13.4		 2b60B-1hvcA:
91.92
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.54A 2b60B-1hvcA:
13.4		 2b60B-1hvcA:
91.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.55A 2b60B-1hvcA:
13.4		 2b60B-1hvcA:
91.92
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.
1idt MINOR FMN-DEPENDENT
NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		5 GLY A  66
ALA A  65
GLY A 166
ALA A 170
ILE A 171
 None
None
FMN  A1218 (-3.6A)
None
None
 0.88A 2b60B-1idtA:
undetectable		 2b60B-1idtA:
21.65
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.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 109
ILE A  73
ILE A  94
ALA A  77
ILE A  74
 None
 1.05A 2b60B-1iyxA:
undetectable		 2b60B-1iyxA:
14.77
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 GLY A  67
ALA A 137
ASP A 140
ILE A   3
ALA A  98
 None
 0.99A 2b60B-1kczA:
undetectable		 2b60B-1kczA:
16.80
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.
1kve SMK TOXIN

(Millerozyma
farinosa) 		no annotation 5 GLY A  39
ALA A  40
ILE A  50
GLY A  57
ALA A  35
 None
 0.81A 2b60B-1kveA:
undetectable		 2b60B-1kveA:
16.00
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  46
GLY A  20
ALA A  21
ASP A  90
ILE A  44
 None
 0.84A 2b60B-1ldnA:
undetectable		 2b60B-1ldnA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A 215
GLY A 217
ILE A 222
GLY A  76
ILE A 300
 None
 0.94A 2b60B-1mppA:
7.5		 2b60B-1mppA:
13.02
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
GLY A  27
ALA A  28
ASP A  29
ILE A  84
 None
 0.49A 2b60B-1q9pA:
10.1		 2b60B-1q9pA:
88.42
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
GLY A  27
ALA A  28
PRO A  81
ILE A  84
 None
 0.78A 2b60B-1q9pA:
10.1		 2b60B-1q9pA:
88.42
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.55A 2b60B-1sivA:
19.1		 2b60B-1sivA:
51.52
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ALA A 665
ASP A 664
ILE A 660
GLY A 690
ILE A 668
 None
 1.04A 2b60B-1u1hA:
undetectable		 2b60B-1u1hA:
8.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ALA A 665
ASP A 664
ILE A 660
GLY A 690
ILE A 726
 None
 0.92A 2b60B-1u1hA:
undetectable		 2b60B-1u1hA:
8.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		5 ARG A 248
ILE A 272
GLY A 389
ALA A 195
ILE A 193
 None
 0.98A 2b60B-1u7wA:
undetectable		 2b60B-1u7wA:
17.86
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		5 GLY A 246
ALA A 245
ILE A 302
ALA A 290
ILE A 291
 None
 0.88A 2b60B-1up2A:
undetectable		 2b60B-1up2A:
19.92
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 342
ALA A 343
ILE A 158
ALA A 160
ILE A 161
 GLY  A 342 ( 0.0A)
ALA  A 343 ( 0.0A)
ILE  A 158 ( 0.7A)
ALA  A 160 ( 0.0A)
ILE  A 161 ( 0.7A)
 0.90A 2b60B-1wqaA:
undetectable		 2b60B-1wqaA:
12.84
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 GLY A 211
ALA A 210
ILE A 125
GLY A 155
ILE A  41
 None
 0.64A 2b60B-1y7wA:
undetectable		 2b60B-1y7wA:
16.49
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.
1zaw 50S RIBOSOMAL
PROTEIN L10

(Thermotoga
maritima) 		PF00466
(Ribosomal_L10) 		5 ALA A  27
GLY A 116
ILE A  24
ALA A  95
ILE A  99
 None
 0.86A 2b60B-1zawA:
undetectable		 2b60B-1zawA:
20.22
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.
2bb3 COBALAMIN
BIOSYNTHESIS
PRECORRIN-6Y
METHYLASE (CBIE)

(Archaeoglobus
fulgidus) 		PF00590
(TP_methylase) 		5 GLY A  39
ALA A  38
GLY A  30
ALA A  25
ILE A  22
 None
 0.87A 2b60B-2bb3A:
undetectable		 2b60B-2bb3A:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		5 GLY A 157
ALA A 156
ILE A 126
GLY A 104
ALA A 100
 None
 1.02A 2b60B-2bwgA:
undetectable		 2b60B-2bwgA:
14.83
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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ARG C  30
GLY C 248
ALA C 249
ILE C  39
GLY C  60
 None
 0.86A 2b60B-2d3tC:
undetectable		 2b60B-2d3tC:
13.54
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.
2djz 235AA LONG
HYPOTHETICAL
BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Pyrococcus
horikoshii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 ILE A  14
GLY A  10
ILE A   9
ALA A  26
ILE A  37
 None
 1.01A 2b60B-2djzA:
undetectable		 2b60B-2djzA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f31 DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ALA A 238
ILE A 208
GLY A 231
ILE A 232
ILE A 209
 None
 0.86A 2b60B-2f31A:
undetectable		 2b60B-2f31A:
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-4.2A)
 0.30A 2b60B-2fmbA:
15.2		 2b60B-2fmbA:
28.85
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.41A 2b60B-2fmbA:
15.2		 2b60B-2fmbA:
28.85
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.57A 2b60B-2fmbA:
15.2		 2b60B-2fmbA:
28.85
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 ALA A 101
ASP A 100
GLY A 232
ILE A 123
ALA A 119
 None
TRS  A 293 (-2.8A)
SUC  A 290 (-3.2A)
None
None
 0.95A 2b60B-2gupA:
undetectable		 2b60B-2gupA:
18.33
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.
2ic7 MALTOSE
TRANSACETYLASE

(Geobacillus
kaustophilus) 		PF00132
(Hexapep)
PF12464
(Mac)
PF14602
(Hexapep_2) 		5 GLY A 175
ALA A 161
ILE A 139
ALA A 155
ILE A 157
 None
 1.03A 2b60B-2ic7A:
undetectable		 2b60B-2ic7A:
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.79A 2b60B-2isqA:
undetectable		 2b60B-2isqA:
15.94
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ARG A 869
ASP A 877
GLY A 882
ALA A 883
ILE A1040
 None
 0.94A 2b60B-2nm1A:
undetectable		 2b60B-2nm1A:
13.27
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 177
ALA A 178
ILE A 181
GLY A 188
ILE A 173
 None
 0.86A 2b60B-2pa6A:
undetectable		 2b60B-2pa6A:
10.49
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.
2q6z UROPORPHYRINOGEN
DECARBOXYLASE

(Homo sapiens) 		PF01208
(URO-D) 		5 GLY A 276
ALA A 275
ILE A 259
ALA A 157
ILE A 237
 None
 1.00A 2b60B-2q6zA:
undetectable		 2b60B-2q6zA:
15.52
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 ALA A  28
GLY A  48
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.86A 2b60B-2rkfA:
21.0		 2b60B-2rkfA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.54A 2b60B-2rkfA:
21.0		 2b60B-2rkfA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.81A 2b60B-2rspA:
12.8		 2b60B-2rspA:
32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A  44
ILE A 108
 None
 0.49A 2b60B-2rspA:
12.8		 2b60B-2rspA:
32.00
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.
2x2g TRIOSEPHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00121
(TIM) 		5 ALA A 125
ILE A 147
GLY A 128
ALA A 149
ILE A 150
 None
 0.95A 2b60B-2x2gA:
undetectable		 2b60B-2x2gA:
19.65
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 275
ALA A 274
ILE A 133
ALA A 299
ILE A 297
 None
 1.03A 2b60B-2yquA:
undetectable		 2b60B-2yquA:
12.11
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		5 GLY A  53
ALA A  54
ASP A  55
ILE A  57
ILE A  49
 None
 1.05A 2b60B-3axiA:
undetectable		 2b60B-3axiA:
10.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASP A 220
GLY A 222
GLY A 119
ILE A 120
ALA A 196
 None
 0.97A 2b60B-3fv3A:
7.8		 2b60B-3fv3A:
14.07
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.74A 2b60B-3gveA:
undetectable		 2b60B-3gveA:
15.41
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 712
ALA A 711
ILE A 665
GLY A 748
ILE A 661
 None
 0.78A 2b60B-3hkzA:
undetectable		 2b60B-3hkzA:
8.46
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 GLY A  73
ALA A  72
GLY A  80
ALA A 126
ILE A 127
 None
 0.91A 2b60B-3khzA:
undetectable		 2b60B-3khzA:
11.06
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.
3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Mycobacterium
tuberculosis) 		PF00731
(AIRC) 		5 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.03A 2b60B-3lp6A:
undetectable		 2b60B-3lp6A:
17.53
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 310
ALA A 336
ASP A 337
ILE A 361
ILE A 149
 None
 1.02A 2b60B-3mwcA:
undetectable		 2b60B-3mwcA:
13.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.47A 2b60B-3mwsA:
19.9		 2b60B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ALA A  82
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
SO4  A 101 (-3.5A)
 0.47A 2b60B-3t3cA:
18.8		 2b60B-3t3cA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.47A 2b60B-3ttpA:
20.4		 2b60B-3ttpA:
83.84
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.
3ty6 ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Bacillus
anthracis) 		PF00227
(Proteasome) 		5 GLY A 140
ALA A 139
ILE A 167
GLY A 133
ILE A 163
 None
 1.03A 2b60B-3ty6A:
undetectable		 2b60B-3ty6A:
20.79
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.39A 2b60B-3u7sA:
20.1		 2b60B-3u7sA:
83.84
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
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
None
017  A 202 (-2.9A)
 0.47A 2b60B-3u7sA:
20.1		 2b60B-3u7sA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.53A 2b60B-3u7sA:
20.1		 2b60B-3u7sA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
PRO A  81
 017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
None
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.59A 2b60B-3u7sA:
20.1		 2b60B-3u7sA:
83.84
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.42A 2b60B-3uhlA:
16.6		 2b60B-3uhlA:
81.82
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
 None
 0.40A 2b60B-3uhlA:
16.6		 2b60B-3uhlA:
81.82
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.
3w40 PHOSPHOSERINE
PHOSPHATASE RSBX

(Bacillus
subtilis) 		PF07228
(SpoIIE) 		5 GLY A  45
ALA A  88
GLY A 108
ALA A  41
ILE A  59
 None
 1.05A 2b60B-3w40A:
undetectable		 2b60B-3w40A:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
ILE A 125
GLY A 130
ILE A 135
ILE A 144
 None
 0.88A 2b60B-4c30A:
undetectable		 2b60B-4c30A:
10.06
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.
4cw5 DFNA

(Bacillus
velezensis) 		PF03060
(NMO) 		5 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.87A 2b60B-4cw5A:
undetectable		 2b60B-4cw5A:
12.92
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.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 GLY A  17
ILE A  49
ILE A  36
PRO A  44
ILE A  42
 None
 1.00A 2b60B-4czaA:
undetectable		 2b60B-4czaA:
13.55
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.
4h6q PROLINE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF01619
(Pro_dh) 		5 GLY A  90
ALA A  89
ILE A  83
ALA A  43
ILE A  44
 None
 0.79A 2b60B-4h6qA:
undetectable		 2b60B-4h6qA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		5 GLY L 311
ALA L 310
GLY L 304
ALA L 213
ILE L 253
 None
 1.01A 2b60B-4heaL:
undetectable		 2b60B-4heaL:
9.57
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLY A 208
ALA A 209
ASP A 210
ILE A 179
ALA A 196
 None
None
None
None
SO4  A 402 (-3.3A)
 0.93A 2b60B-4idaA:
undetectable		 2b60B-4idaA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 GLY A 190
GLY A 196
ILE A 198
ALA A  74
ILE A  75
 None
 0.89A 2b60B-4kkmA:
undetectable		 2b60B-4kkmA:
19.22
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 GLY A  27
ASP A  29
GLY A 142
ILE A  51
ILE A  34
 None
CA  A 400 ( 4.5A)
CA  A 400 ( 4.4A)
None
None
 0.95A 2b60B-4kpnA:
undetectable		 2b60B-4kpnA:
16.01
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 GLY A  10
ASP A  12
GLY A 124
ILE A  34
ILE A  17
 None
CA  A 401 ( 4.8A)
CA  A 401 ( 4.3A)
None
None
 0.88A 2b60B-4kpoA:
undetectable		 2b60B-4kpoA:
17.39
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.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		5 ALA A 182
ASP A 183
ILE A 186
ILE A  74
ALA A 171
 None
 1.04A 2b60B-4m0dA:
undetectable		 2b60B-4m0dA:
17.33
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		5 GLY A 132
ALA A 133
ASP A 134
PRO A 109
ILE A 128
 None
 1.02A 2b60B-4ml9A:
undetectable		 2b60B-4ml9A:
18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.86A 2b60B-4njvA:
20.4		 2b60B-4njvA:
86.87
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.34A 2b60B-4njvA:
20.4		 2b60B-4njvA:
86.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nvt TRIOSEPHOSPHATE
ISOMERASE

(Brucella
melitensis) 		PF00121
(TIM) 		5 GLY A  11
ALA A  10
ILE A 165
GLY A 212
ILE A 128
 None
 1.03A 2b60B-4nvtA:
undetectable		 2b60B-4nvtA:
16.41
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 GLY A 296
ILE A 145
ILE A 289
ALA A 139
ILE A 143
 None
 0.73A 2b60B-4o89A:
undetectable		 2b60B-4o89A:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		5 GLY A 153
ALA A 154
ASP A 129
GLY A 121
PRO A 144
 None
 1.01A 2b60B-4q76A:
undetectable		 2b60B-4q76A:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 734
ALA A 733
ILE A 687
GLY A 770
ILE A 683
 None
 0.89A 2b60B-4qiwA:
undetectable		 2b60B-4qiwA:
7.70
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.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
ILE A 227
PRO A 285
 None
 0.63A 2b60B-4rghA:
10.5		 2b60B-4rghA:
20.23
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.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)

(Agrobacterium
fabrum) 		PF01547
(SBP_bac_1) 		5 GLY A 410
ILE A 215
GLY A 368
ALA A 379
ILE A 405
 None
 1.02A 2b60B-4rjzA:
undetectable		 2b60B-4rjzA:
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.
4twb RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 ASP A 165
GLY A 167
ALA A 168
ILE A 214
ILE A 218
 None
 0.97A 2b60B-4twbA:
undetectable		 2b60B-4twbA:
16.10
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A 288
ILE A  14
GLY A 303
ILE A 306
ILE A 290
 None
 0.96A 2b60B-4wy8A:
undetectable		 2b60B-4wy8A:
15.53
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.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.48A 2b60B-4ydfA:
12.7		 2b60B-4ydfA:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b0h LEUKOCYTE
CELL-DERIVED
CHEMOTAXIN-2

(Homo sapiens) 		PF01551
(Peptidase_M23) 		5 GLY A  99
ALA A  50
ILE A  56
GLY A 103
ILE A  96
 None
 0.82A 2b60B-5b0hA:
undetectable		 2b60B-5b0hA:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
GLY A  27
ALA A  28
ASP A  29
GLY A  49
 None
 0.73A 2b60B-5b18A:
18.2		 2b60B-5b18A:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ILE A  32
ILE A  84
 None
 0.43A 2b60B-5b18A:
18.2		 2b60B-5b18A:
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.
5c3o THYMINE DIOXYGENASE

(Neurospora
crassa) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 GLY A  44
ALA A  43
ILE A  36
ALA A   5
ILE A  13
 None
 1.01A 2b60B-5c3oA:
undetectable		 2b60B-5c3oA:
19.91
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.
5gan PRE-MRNA-PROCESSING
FACTOR 31

(Saccharomyces
cerevisiae) 		PF01798
(Nop)
PF09785
(Prp31_C) 		5 GLY F 247
ILE F 222
GLY F 215
ILE F 214
ILE F 225
 None
 0.92A 2b60B-5ganF:
undetectable		 2b60B-5ganF:
10.40
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.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG
MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1
BETA,MITOTIC
CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1
BETA

(Homo sapiens) 		PF00400
(WD40)
PF08311
(Mad3_BUB1_I)
PF12894
(ANAPC4_WD40) 		5 ASP R 330
GLY R 328
GLY R 284
ILE R 290
ALA S 297
 None
 0.99A 2b60B-5lcwR:
undetectable		 2b60B-5lcwR:
10.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 2b60B-5t2zA:
21.0		 2b60B-5t2zA:
83.84
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 GLY A 538
ALA A 539
ILE A 501
ALA A 447
ILE A 503
 None
 0.94A 2b60B-5tusA:
undetectable		 2b60B-5tusA:
9.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A 303
ALA A  16
GLY A  21
ALA A 108
ILE A 110
 None
 0.97A 2b60B-5twbA:
undetectable		 2b60B-5twbA:
15.89
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.
5ux9 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Aliivibrio
fischeri) 		PF00132
(Hexapep) 		5 GLY A 163
ALA A 149
ILE A 127
ALA A 143
ILE A 145
 None
 1.02A 2b60B-5ux9A:
undetectable		 2b60B-5ux9A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 220
ALA A 219
ILE A 282
ILE A 299
ILE A 281
 NAD  A 501 ( 3.7A)
None
None
NAD  A 501 (-4.3A)
NAD  A 501 (-4.8A)
 0.93A 2b60B-5w4bA:
undetectable		 2b60B-5w4bA:
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.
5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029

(Streptococcus
pneumoniae) 		no annotation 6 GLY A 399
ALA A 400
ASP A 401
ILE A 373
ALA A 311
ILE A 378
 None
 0.94A 2b60B-5xj1A:
undetectable		 2b60B-5xj1A:
13.45
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.
6an0 HISTIDINOL
DEHYDROGENASE

(Elizabethkingia
anophelis) 		PF00815
(Histidinol_dh) 		5 GLY A 140
ALA A 143
ILE A 118
ALA A 201
ILE A 121
 None
 0.97A 2b60B-6an0A:
undetectable		 2b60B-6an0A:
12.53
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.
6ei9 TRNA-DIHYDROURIDINE
SYNTHASE B

(Escherichia
coli) 		no annotation 5 GLY A 217
ALA A 218
ASP A 219
ILE A 168
ILE A 186
 None
 0.97A 2b60B-6ei9A:
undetectable		 2b60B-6ei9A:
20.39
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 ALA A 675
ILE A 524
GLY A 668
ILE A 690
ILE A 701
 None
 0.93A 2b60B-6ekvA:
undetectable		 2b60B-6ekvA:
8.89
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A  13
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.31A 2b60B-6fivA:
15.8		 2b60B-6fivA:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.61A 2b60B-6upjA:
18.6		 2b60B-6upjA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.50A 2b60B-6upjA:
18.6		 2b60B-6upjA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.73A 2b60B-6upjA:
18.6		 2b60B-6upjA:
50.51