SIMILAR PATTERNS OF AMINO ACIDS FOR 2AOF_C_FRDC305_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.
1aoa T-FIMBRIN

(Homo sapiens)
PF00307
(CH)
4 LEU A 306
PRO A 311
ALA A 310
ILE A 309
LEU  A 306 ( 0.6A)
PRO  A 311 ( 1.1A)
ALA  A 310 ( 0.0A)
ILE  A 309 ( 0.3A)
0.90A 2aofB-1aoaA:
undetectable
2aofB-1aoaA:
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.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)


(Escherichia
coli)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
4 LEU A  86
ASP A  89
ALA A  37
ILE A  92
None
0.93A 2aofB-1b0aA:
undetectable
2aofB-1b0aA:
17.63
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.
1cf5 PROTEIN
(BETA-MOMORCHARIN)


(Momordica
charantia)
PF00161
(RIP)
4 LEU A 186
PRO A 216
ALA A 182
ILE A 183
None
1.03A 2aofB-1cf5A:
undetectable
2aofB-1cf5A:
16.46
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.
1ct5 PROTEIN (YEAST
HYPOTHETICAL
PROTEIN, SELENOMET)


(Saccharomyces
cerevisiae)
PF01168
(Ala_racemase_N)
4 LEU A  81
PRO A  52
ALA A  53
ILE A   5
None
1.02A 2aofB-1ct5A:
undetectable
2aofB-1ct5A:
18.44
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.
1gm5 RECG

(Thermotoga
maritima)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge)
4 LEU A 633
PRO A 656
ALA A 636
ILE A 653
None
1.05A 2aofB-1gm5A:
undetectable
2aofB-1gm5A:
8.52
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.
1hg3 TRIOSEPHOSPHATE
ISOMERASE


(Pyrococcus
woesei)
PF00121
(TIM)
PF05690
(ThiG)
4 LEU A 221
PRO A 214
ALA A 217
ILE A 218
None
1.01A 2aofB-1hg3A:
undetectable
2aofB-1hg3A:
19.63
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis)
PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N)
4 LEU A 421
PRO A 314
ALA A 310
ILE A 418
None
0.93A 2aofB-1htqA:
undetectable
2aofB-1htqA:
11.92
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)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
0.55A 2aofB-1hvcA:
13.9
2aofB-1hvcA:
46.31
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)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
0.38A 2aofB-1hvcA:
13.9
2aofB-1hvcA:
46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2


(Escherichia
coli)
PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N)
4 LEU A  90
PRO A  83
ALA A  86
ILE A  87
None
0.87A 2aofB-1l5jA:
undetectable
2aofB-1l5jA:
9.24
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.
1mor GLUCOSAMINE
6-PHOSPHATE SYNTHASE


(Escherichia
coli)
PF01380
(SIS)
4 LEU A 486
PRO A 515
ALA A 467
ILE A 492
None
0.93A 2aofB-1morA:
undetectable
2aofB-1morA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24


(Saccharomyces
cerevisiae)
PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS)
4 LEU A 616
PRO A 293
ALA A 292
ILE A 626
None
1.00A 2aofB-1pd1A:
undetectable
2aofB-1pd1A:
8.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pss PHOTOSYNTHETIC
REACTION CENTER


(Rhodobacter
sphaeroides)
PF00124
(Photo_RC)
4 LEU L 246
PRO L 171
ALA L 172
ILE L 250
None
0.92A 2aofB-1pssL:
undetectable
2aofB-1pssL:
17.55
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B


(Mycobacterium
tuberculosis)
PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2)
4 ASP A 268
PRO A 292
ALA A 250
ILE A 274
None
1.04A 2aofB-1sgvA:
undetectable
2aofB-1sgvA:
18.21
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)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
0.44A 2aofB-1sivA:
18.5
2aofB-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.
1wle SERYL-TRNA
SYNTHETASE


(Bos taurus)
PF00587
(tRNA-synt_2b)
4 LEU A  57
ASP A  58
PRO A  50
ALA A  53
None
0.94A 2aofB-1wleA:
undetectable
2aofB-1wleA:
11.27
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata)
PF00104
(Hormone_recep)
4 LEU A 274
ASP A 270
ALA A 354
ILE A 273
None
0.99A 2aofB-1xiuA:
undetectable
2aofB-1xiuA:
18.50
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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION


(Saccharomyces
cerevisiae)
PF02567
(PhzC-PhzF)
4 LEU A 197
PRO A 153
ALA A 165
ILE A 195
None
0.87A 2aofB-1ym5A:
undetectable
2aofB-1ym5A:
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.
1z5x ULTRASPIRACLE
PROTEIN (USP) A
HOMOLOGUE OF RXR


(Bemisia tabaci)
PF00104
(Hormone_recep)
4 LEU U 335
ASP U 331
ALA U 415
ILE U 334
None
0.93A 2aofB-1z5xU:
undetectable
2aofB-1z5xU:
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.
1zap SECRETED ASPARTIC
PROTEINASE


(Candida
albicans)
PF00026
(Asp)
4 LEU A 216
ASP A 218
ALA A 303
ILE A 305
None
A70  A 500 ( 2.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
0.81A 2aofB-1zapA:
6.8
2aofB-1zapA:
16.46
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.
1zel HYPOTHETICAL PROTEIN
RV2827C


(Mycobacterium
tuberculosis)
PF09407
(AbiEi_1)
PF13338
(AbiEi_4)
4 LEU A  55
PRO A  48
ALA A  51
ILE A  52
None
1.03A 2aofB-1zelA:
undetectable
2aofB-1zelA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkd DUF185

(Rhodopseudomonas
palustris)
PF02636
(Methyltransf_28)
4 LEU A 225
ASP A 221
ALA A 228
ILE A 224
None
0.78A 2aofB-1zkdA:
undetectable
2aofB-1zkdA:
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.
2cja SERYL-TRNA
SYNTHETASE


(Methanosarcina
barkeri)
no annotation 4 LEU A 111
PRO A 106
ALA A 107
ILE A 129
None
0.98A 2aofB-2cjaA:
undetectable
2aofB-2cjaA:
12.25
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)
4 LEU A  23
ASP A  25
PRO A  86
ILE A  89
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
0.45A 2aofB-2fmbA:
14.9
2aofB-2fmbA:
33.02
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.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
4 LEU A  79
ASP A  75
ALA A 159
ILE A  78
None
0.93A 2aofB-2gl8A:
undetectable
2aofB-2gl8A:
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.
2hpg ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN


(Thermotoga
maritima)
PF03480
(DctP)
4 LEU A 123
PRO A 116
ALA A 119
ILE A 120
None
0.96A 2aofB-2hpgA:
undetectable
2aofB-2hpgA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mux UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 25


(Homo sapiens)
PF02809
(UIM)
4 LEU A  36
ASP A  32
ALA A  39
ILE A  35
None
1.05A 2aofB-2muxA:
undetectable
2aofB-2muxA:
22.58
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.
2nlx XYLULOSE KINASE

(Escherichia
coli)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 ASP A  98
PRO A  92
ALA A  93
ILE A  94
None
0.92A 2aofB-2nlxA:
undetectable
2aofB-2nlxA:
11.16
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.
2o5p FERRIPYOVERDINE
RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug)
4 LEU A  98
PRO A  91
ALA A  94
ILE A  95
None
0.90A 2aofB-2o5pA:
undetectable
2aofB-2o5pA:
8.38
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.
2pet LUTHERAN BLOOD GROUP
GLYCOPROTEIN


(Homo sapiens)
PF07686
(V-set)
PF08205
(C2-set_2)
4 LEU A 191
PRO A 123
ALA A 139
ILE A 138
None
0.83A 2aofB-2petA:
undetectable
2aofB-2petA:
17.72
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4


(Saccharopolyspora
erythraea)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
4 LEU A 353
ASP A 354
PRO A 346
ALA A 349
None
1.02A 2aofB-2qo3A:
undetectable
2aofB-2qo3A:
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME


(Hordeum vulgare)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
4 LEU A 354
PRO A 273
ALA A 272
ILE A 356
None
0.99A 2aofB-2qpsA:
undetectable
2aofB-2qpsA:
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans)
PF00026
(Asp)
4 LEU A 216
ASP A 218
ALA A 303
ILE A 305
None
0.85A 2aofB-2qzwA:
7.6
2aofB-2qzwA:
14.84
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.
2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN


(Escherichia
coli)
PF03349
(Toluene_X)
4 LEU A 184
PRO A 174
ALA A 175
ILE A 170
None
1.03A 2aofB-2r8aA:
undetectable
2aofB-2r8aA:
12.69
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 LEU A  23
ASP A  25
PRO A  81
ALA A  82
ILE A  84
None
AB1  A 501 (-2.4A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
0.46A 2aofB-2rkfA:
20.6
2aofB-2rkfA:
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli)
PF01306
(LacY_symp)
4 LEU A  76
PRO A 123
ALA A 124
ILE A  80
None
0.76A 2aofB-2v8nA:
undetectable
2aofB-2v8nA:
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.
2y5j DIHYDROPTEROATE
SYNTHASE


(Burkholderia
cenocepacia)
PF00809
(Pterin_bind)
4 LEU A  22
PRO A 225
ALA A 265
ILE A 266
None
0.99A 2aofB-2y5jA:
undetectable
2aofB-2y5jA:
18.64
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.
2ynk WZI

(Escherichia
coli)
PF14052
(Caps_assemb_Wzi)
4 LEU A  64
PRO A  69
ALA A  67
ILE A  46
None
1.05A 2aofB-2ynkA:
undetectable
2aofB-2ynkA:
11.01
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.
2z9v ASPARTATE
AMINOTRANSFERASE


(Mesorhizobium
loti)
PF00266
(Aminotran_5)
4 LEU A 362
PRO A 355
ALA A 358
ILE A 359
None
0.91A 2aofB-2z9vA:
undetectable
2aofB-2z9vA:
13.72
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.
3abb CYTOCHROME P450
HYDROXYLASE


(Streptomyces
avermitilis)
PF00067
(p450)
4 LEU A 161
PRO A 154
ALA A 157
ILE A 158
None
1.01A 2aofB-3abbA:
undetectable
2aofB-3abbA:
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron)
PF12741
(SusD-like)
4 LEU A 521
ASP A 525
ALA A 516
ILE A 517
None
0.89A 2aofB-3cghA:
undetectable
2aofB-3cghA:
11.11
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.
3eyb NUCLEAR HORMONE
RECEPTOR RXR


(Branchiostoma
floridae)
PF00104
(Hormone_recep)
4 LEU A 329
ASP A 325
ALA A 409
ILE A 328
None
1.04A 2aofB-3eybA:
undetectable
2aofB-3eybA:
19.35
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.
3fay RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP1


(Homo sapiens)
PF00616
(RasGAP)
4 LEU A1072
PRO A1198
ALA A1199
ILE A1200
None
0.99A 2aofB-3fayA:
undetectable
2aofB-3fayA:
13.97
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.
3fd5 SELENIDE, WATER
DIKINASE 1


(Homo sapiens)
PF00586
(AIRS)
PF02769
(AIRS_C)
4 LEU A 324
ASP A 265
PRO A 188
ALA A 263
None
MG  A 395 (-2.6A)
None
None
0.93A 2aofB-3fd5A:
undetectable
2aofB-3fd5A:
13.21
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.
3fgq NEUROSERPIN

(Homo sapiens)
PF00079
(Serpin)
4 LEU A  29
PRO A  22
ALA A  25
ILE A  26
None
0.92A 2aofB-3fgqA:
undetectable
2aofB-3fgqA:
12.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fho ATP-DEPENDENT RNA
HELICASE DBP5


(Schizosaccharomyces
pombe)
PF00270
(DEAD)
PF00271
(Helicase_C)
4 LEU A 291
PRO A 309
ALA A 308
ILE A 157
None
1.05A 2aofB-3fhoA:
undetectable
2aofB-3fhoA:
20.86
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.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN


(Bacteroides
fragilis)
PF12741
(SusD-like)
4 LEU A 525
ASP A 529
ALA A 520
ILE A 521
None
0.84A 2aofB-3gzsA:
undetectable
2aofB-3gzsA:
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.
3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE


(Pseudomonas
syringae group
genomosp. 3)
PF01042
(Ribonuc_L-PSP)
4 LEU A 123
ASP A  71
ALA A  65
ILE A 125
None
1.05A 2aofB-3k0tA:
undetectable
2aofB-3k0tA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lr1 TUNGSTATE ABC
TRANSPORTER,
PERIPLASMIC
TUNGSTATE-BINDING
PROTEIN


(Geobacter
sulfurreducens)
PF12849
(PBP_like_2)
4 LEU A 108
PRO A  92
ALA A  93
ILE A  95
None
1.03A 2aofB-3lr1A:
undetectable
2aofB-3lr1A:
22.47
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)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
0.26A 2aofB-3mwsA:
19.7
2aofB-3mwsA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzp ARGININE
DECARBOXYLASE


(Campylobacter
jejuni)
PF02784
(Orn_Arg_deC_N)
4 LEU A 332
PRO A 335
ALA A 334
ILE A 333
None
1.03A 2aofB-3nzpA:
undetectable
2aofB-3nzpA:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT


(Komagataella
pastoris)
PF00365
(PFK)
4 LEU A 724
PRO A 615
ALA A 616
ILE A 695
None
0.98A 2aofB-3opyA:
undetectable
2aofB-3opyA:
7.82
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.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC


(Candida
albicans)
PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N)
4 LEU A 405
PRO A 206
ALA A 272
ILE A 301
None
0.74A 2aofB-3qo7A:
undetectable
2aofB-3qo7A:
12.18
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.
3svl PROTEIN YIEF

(Escherichia
coli)
PF03358
(FMN_red)
4 LEU A  27
PRO A  32
ALA A  31
ILE A  30
None
1.00A 2aofB-3svlA:
undetectable
2aofB-3svlA:
23.63
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)
4 LEU A  23
ASP A  25
PRO A  81
ALA A  82
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
None
SO4  A 101 (-3.5A)
0.59A 2aofB-3t3cA:
18.3
2aofB-3t3cA:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t5t PUTATIVE
GLYCOSYLTRANSFERASE


(Streptomyces
hygroscopicus)
PF00982
(Glyco_transf_20)
4 LEU A 179
PRO A 208
ALA A 209
ILE A 212
None
0.95A 2aofB-3t5tA:
undetectable
2aofB-3t5tA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
4 LEU A  86
PRO A 130
ALA A 131
ILE A 132
None
1.00A 2aofB-3toxA:
undetectable
2aofB-3toxA:
18.94
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)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
017  A 201 (-2.6A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
0.17A 2aofB-3ttpA:
19.4
2aofB-3ttpA:
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.
3v9p THYMIDYLATE KINASE

(Burkholderia
thailandensis)
PF02223
(Thymidylate_kin)
4 LEU A 136
ASP A 138
ALA A 176
ILE A 185
None
None
None
GOL  A 252 (-3.8A)
0.97A 2aofB-3v9pA:
undetectable
2aofB-3v9pA:
17.62
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.
3vlb XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE A


(Aspergillus
aculeatus)
PF01670
(Glyco_hydro_12)
4 LEU B 127
PRO B 206
ALA B 100
ILE B  98
None
1.01A 2aofB-3vlbB:
undetectable
2aofB-3vlbB:
18.63
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
4 LEU A 377
PRO A 296
ALA A 295
ILE A 379
None
0.92A 2aofB-3wn6A:
undetectable
2aofB-3wn6A:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila)
PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase)
4 LEU A 682
PRO A 391
ALA A 389
ILE A 678
None
1.03A 2aofB-4bevA:
undetectable
2aofB-4bevA:
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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)


(Legionella
pneumophila)
PF00351
(Biopterin_H)
4 LEU A 124
PRO A  81
ALA A 102
ILE A 120
None
1.01A 2aofB-4bptA:
undetectable
2aofB-4bptA:
16.92
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.
4btg MAJOR INNER PROTEIN
P1


(Pseudomonas
virus phi6)
no annotation 4 LEU A 462
PRO A 455
ALA A 458
ILE A 459
None
0.81A 2aofB-4btgA:
undetectable
2aofB-4btgA:
9.46
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Thermobispora
bispora)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 LEU A 313
PRO A 336
ALA A 337
ILE A 338
None
1.02A 2aofB-4dhgA:
undetectable
2aofB-4dhgA:
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.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster)
PF04389
(Peptidase_M28)
4 LEU A  72
PRO A 157
ALA A 155
ILE A  68
None
0.86A 2aofB-4faiA:
undetectable
2aofB-4faiA:
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.
4hs4 CHROMATE REDUCTASE

(Komagataeibacter
hansenii)
PF03358
(FMN_red)
4 LEU A  29
PRO A  34
ALA A  33
ILE A  32
None
0.92A 2aofB-4hs4A:
undetectable
2aofB-4hs4A:
20.11
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.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260


(Arabidopsis
thaliana)
PF07714
(Pkinase_Tyr)
4 LEU A 268
PRO A 253
ALA A 256
ILE A 260
None
0.93A 2aofB-4i93A:
undetectable
2aofB-4i93A:
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.
4jkw BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1


(Homo sapiens)
PF07686
(V-set)
4 LEU A  73
ASP A  75
PRO A  24
ALA A  83
None
0.94A 2aofB-4jkwA:
undetectable
2aofB-4jkwA:
20.49
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C


(Streptococcus
mutans)
no annotation 4 LEU A  30
PRO A  61
ALA A  60
ILE A  58
None
0.97A 2aofB-4l9aA:
undetectable
2aofB-4l9aA:
12.80
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)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
0.35A 2aofB-4njvA:
20.1
2aofB-4njvA:
84.85
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.
4npr XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE GH12


(Aspergillus
niveus)
PF01670
(Glyco_hydro_12)
4 LEU A 141
PRO A 220
ALA A 114
ILE A 112
None
0.93A 2aofB-4nprA:
undetectable
2aofB-4nprA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oiy PROTEIN TRANSPORT
PROTEIN SEC7


(Saccharomyces
cerevisiae)
PF01369
(Sec7)
4 LEU A 849
PRO A 842
ALA A 845
ILE A 846
None
0.87A 2aofB-4oiyA:
undetectable
2aofB-4oiyA:
21.05
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS


(Escherichia
coli)
PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C)
4 LEU A 161
ASP A 162
PRO A 154
ALA A 157
None
1.03A 2aofB-4pdxA:
undetectable
2aofB-4pdxA:
10.45
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.
4q3r ARGINASE

(Schistosoma
mansoni)
PF00491
(Arginase)
4 LEU A  63
PRO A 123
ALA A  24
ILE A  61
None
1.02A 2aofB-4q3rA:
undetectable
2aofB-4q3rA:
16.21
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.
4rsi STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4


(Saccharomyces
cerevisiae)
PF06470
(SMC_hinge)
4 LEU B 692
ASP B 715
ALA B 778
ILE B 742
None
0.82A 2aofB-4rsiB:
undetectable
2aofB-4rsiB:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1)
PF13561
(adh_short_C2)
4 LEU A 249
PRO A 230
ALA A 231
ILE A 251
None
0.89A 2aofB-4w7hA:
undetectable
2aofB-4w7hA:
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.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338


(Methanocaldococcus
jannaschii)
PF03201
(HMD)
4 ASP A  86
PRO A 101
ALA A 105
ILE A 109
None
0.96A 2aofB-4yt2A:
undetectable
2aofB-4yt2A:
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.
5b8h TYPE III
PANTOTHENATE KINASE


(Burkholderia
cenocepacia)
PF03309
(Pan_kinase)
4 LEU A 251
ASP A   9
ALA A 108
ILE A 247
None
1.00A 2aofB-5b8hA:
undetectable
2aofB-5b8hA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d91 AF2299
PROTEIN,PHOSPHATIDYL
INOSITOL SYNTHASE


(Archaeoglobus
fulgidus;
Renibacterium
salmoninarum)
PF01066
(CDP-OH_P_transf)
4 LEU A 120
PRO A 113
ALA A 116
ILE A 117
None
None
None
8K6  A 305 ( 4.1A)
1.03A 2aofB-5d91A:
undetectable
2aofB-5d91A:
14.84
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.
5dqn CYTOCHROME P450
CYP125


(Mycolicibacterium
smegmatis)
PF00067
(p450)
4 LEU A 165
PRO A 158
ALA A 161
ILE A 162
None
1.05A 2aofB-5dqnA:
undetectable
2aofB-5dqnA:
13.60
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.
5egl ACYL COA HYDROLASE

(Staphylococcus
aureus)
PF03061
(4HBT)
4 LEU A  78
ASP A  76
ALA A 111
ILE A 100
None
0.98A 2aofB-5eglA:
undetectable
2aofB-5eglA:
16.96
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.
5eq6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILM


(Pseudomonas
aeruginosa)
PF11104
(PilM_2)
4 LEU A 348
ASP A  16
ALA A 174
ILE A 344
None
0.97A 2aofB-5eq6A:
undetectable
2aofB-5eq6A:
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2


(Danio rerio)
PF13649
(Methyltransf_25)
4 LEU A 136
PRO A 139
ALA A 137
ILE A 107
CL  A1409 ( 4.9A)
None
None
None
1.04A 2aofB-5fubA:
undetectable
2aofB-5fubA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gui CHAPERONE PROTEIN
CLPC1, CHLOROPLASTIC


(Arabidopsis
thaliana)
PF02861
(Clp_N)
4 LEU A 220
PRO A 224
ALA A 222
ILE A 147
None
1.05A 2aofB-5guiA:
undetectable
2aofB-5guiA:
23.53
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.
5h5x PUTATIVE
OXIDOREDUCTASE


(Streptomyces
coelicolor)
PF13561
(adh_short_C2)
4 LEU A  97
PRO A 141
ALA A 142
ILE A 143
None
0.89A 2aofB-5h5xA:
undetectable
2aofB-5h5xA:
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B


(Homo sapiens)
no annotation 4 LEU A 605
PRO A 610
ALA A 609
ILE A 608
None
1.00A 2aofB-5hdtA:
undetectable
2aofB-5hdtA:
6.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqw PUTATIVE POLYKETIDE
SYNTHASE


(Brevibacillus
brevis)
PF14765
(PS-DH)
4 LEU A2348
ASP A2479
ALA A2347
ILE A2487
None
1.01A 2aofB-5hqwA:
undetectable
2aofB-5hqwA:
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.
5jvf SITE-DETERMINING
PROTEIN


(Pseudomonas
aeruginosa)
PF10609
(ParA)
4 LEU A  44
ASP A  46
PRO A  84
ILE A  89
None
1.00A 2aofB-5jvfA:
undetectable
2aofB-5jvfA:
16.90
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum)
PF12708
(Pectate_lyase_3)
4 LEU A  99
PRO A 471
ALA A 469
ILE A  55
None
1.01A 2aofB-5m60A:
undetectable
2aofB-5m60A:
9.01
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.
5n8o DNA HELICASE I

(Escherichia
coli)
PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30)
4 LEU A 814
PRO A 567
ALA A 568
ILE A 570
None
0.97A 2aofB-5n8oA:
undetectable
2aofB-5n8oA:
4.56
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)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
0.22A 2aofB-5t2zA:
20.2
2aofB-5t2zA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqj U6 SNRNA
PHOSPHODIESTERASE


(Saccharomyces
cerevisiae)
PF09749
(HVSL)
4 LEU A 188
PRO A 120
ALA A 235
ILE A 234
None
0.96A 2aofB-5uqjA:
undetectable
2aofB-5uqjA:
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.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE


(Burkholderia
ambifaria)
PF00905
(Transpeptidase)
4 LEU A 337
ASP A 338
ALA A 414
ILE A 411
None
SO4  A 704 ( 4.6A)
None
None
1.02A 2aofB-5uy7A:
undetectable
2aofB-5uy7A:
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A


(Homo sapiens)
PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS)
4 LEU B 808
PRO B 493
ALA B 492
ILE B 818
None
1.04A 2aofB-5vniB:
undetectable
2aofB-5vniB:
9.71
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.
5xfa NAD-REDUCING
HYDROGENASE


(Hydrogenophilus
thermoluteolus)
PF00374
(NiFeSe_Hases)
4 LEU D 399
PRO D 395
ALA D 394
ILE D 392
FCO  D 501 (-3.3A)
FCO  D 501 ( 3.8A)
FCO  D 501 (-3.6A)
None
0.98A 2aofB-5xfaD:
undetectable
2aofB-5xfaD:
12.33
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.
5y6g FLAGELLAR BRAKE
PROTEIN YCGR


(Escherichia
coli)
no annotation 4 LEU A 146
PRO A 122
ALA A 121
ILE A 119
None
0.83A 2aofB-5y6gA:
undetectable
2aofB-5y6gA:
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.
6coy CHLORIDE CHANNEL
PROTEIN 1


(Homo sapiens)
no annotation 4 LEU A 173
PRO A 478
ALA A 176
ILE A 172
None
0.95A 2aofB-6coyA:
undetectable
2aofB-6coyA:
17.35
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE


(Pseudomonas
aeruginosa)
no annotation 4 LEU A 260
ASP A 261
PRO A 253
ALA A 256
None
0.98A 2aofB-6fbtA:
undetectable
2aofB-6fbtA:
19.39
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)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
NIU  A 100 (-2.8A)
None
None
0.47A 2aofB-6upjA:
17.8
2aofB-6upjA:
49.49