SIMILAR PATTERNS OF AMINO ACIDS FOR 2NNK_A_ROCA401_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.
1a5z L-LACTATE
DEHYDROGENASE


(Thermotoga
maritima)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
3 ARG A 267
VAL A 189
THR A 169
None
0.68A 2nnkA-1a5zA:
0.0
2nnkA-1a5zA:
16.93
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.
1akm ORNITHINE
TRANSCARBAMYLASE


(Escherichia
coli)
PF00185
(OTCace)
PF02729
(OTCace_N)
3 ARG A 246
VAL A 255
THR A 230
None
0.71A 2nnkA-1akmA:
0.0
2nnkA-1akmA:
12.43
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.
1bco BACTERIOPHAGE MU
TRANSPOSASE


(Escherichia
virus Mu)
PF02914
(DDE_2)
PF09299
(Mu-transpos_C)
3 ARG A 324
VAL A 467
THR A 297
None
0.85A 2nnkA-1bcoA:
0.0
2nnkA-1bcoA:
14.24
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.
1ccw PROTEIN (GLUTAMATE
MUTASE)


(Clostridium
cochlearium)
PF06368
(Met_asp_mut_E)
3 ARG B 266
VAL B 323
THR B  61
None
0.84A 2nnkA-1ccwB:
0.0
2nnkA-1ccwB:
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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)


(Escherichia
coli)
PF00709
(Adenylsucc_synt)
3 ARG A 272
VAL A 313
THR A 358
None
0.87A 2nnkA-1cg4A:
undetectable
2nnkA-1cg4A:
13.69
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)


(Allochromatium
vinosum)
PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind)
3 ARG A 160
VAL A  48
THR A 134
FAD  A 699 (-3.1A)
None
None
0.86A 2nnkA-1fcdA:
0.0
2nnkA-1fcdA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)


(Pseudomonas
aeruginosa)
PF01011
(PQQ)
PF13360
(PQQ_2)
3 ARG A 185
VAL A 303
THR A 218
None
0.79A 2nnkA-1flgA:
undetectable
2nnkA-1flgA:
9.86
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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda)
PF00685
(Sulfotransfer_1)
3 ARG A 185
VAL A  68
THR A  79
A3P  A 400 (-2.8A)
None
None
0.83A 2nnkA-1fmlA:
0.0
2nnkA-1fmlA:
16.55
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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda)
PF00685
(Sulfotransfer_1)
3 ARG A 312
VAL A 293
THR A  77
A3P  A 400 (-3.7A)
None
A3P  A 400 (-3.6A)
0.78A 2nnkA-1fmlA:
0.0
2nnkA-1fmlA:
16.55
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum)
PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim)
3 ARG A 394
VAL A 464
THR A 399
None
0.68A 2nnkA-1fohA:
0.0
2nnkA-1fohA:
9.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ARG A   8
VAL A  32
THR A  80
A79  A 800 (-3.4A)
A79  A 800 ( 4.4A)
None
0.43A 2nnkA-1hvcA:
14.3
2nnkA-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)
3 ARG A   8
VAL A  32
THR A  80
A79  A 800 (-3.6A)
A79  A 800 ( 4.3A)
None
0.44A 2nnkA-1hvcA:
14.3
2nnkA-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.
1iu9 ASPARTATE RACEMASE

(Pyrococcus
horikoshii)
PF01177
(Asp_Glu_race)
3 ARG A 172
VAL A 155
THR A 178
None
0.82A 2nnkA-1iu9A:
undetectable
2nnkA-1iu9A:
26.45
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE


(Brevundimonas
diminuta)
PF01804
(Penicil_amidase)
3 ARG A 637
VAL A 175
THR A 180
None
0.85A 2nnkA-1kehA:
undetectable
2nnkA-1kehA:
8.63
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.
1l9g CONSERVED
HYPOTHETICAL PROTEIN


(Thermotoga
maritima)
PF03167
(UDG)
3 ARG A  77
VAL A  42
THR A  39
None
0.85A 2nnkA-1l9gA:
undetectable
2nnkA-1l9gA:
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.
1lar PROTEIN (LAR)

(Homo sapiens)
PF00102
(Y_phosphatase)
3 ARG A1505
VAL A1829
THR A1844
None
0.81A 2nnkA-1larA:
undetectable
2nnkA-1larA:
10.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mb9 BETA-LACTAM
SYNTHETASE


(Streptomyces
clavuligerus)
PF00733
(Asn_synthase)
PF13537
(GATase_7)
3 ARG A 120
VAL A  51
THR A  30
None
0.84A 2nnkA-1mb9A:
undetectable
2nnkA-1mb9A:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE


(Escherichia
coli)
PF00202
(Aminotran_3)
3 ARG A 221
VAL A 154
THR A 139
None
0.65A 2nnkA-1mlzA:
undetectable
2nnkA-1mlzA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae)
PF13354
(Beta-lactamase2)
3 ARG A 266
VAL A 247
THR A  71
None
0.59A 2nnkA-1n9bA:
undetectable
2nnkA-1n9bA:
17.56
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.
1ort ORNITHINE
TRANSCARBAMOYLASE


(Pseudomonas
aeruginosa)
PF00185
(OTCace)
PF02729
(OTCace_N)
3 ARG A 246
VAL A 255
THR A 230
None
0.64A 2nnkA-1ortA:
undetectable
2nnkA-1ortA:
16.30
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.
1ow0 IG ALPHA-1 CHAIN C
REGION


(Homo sapiens)
PF00047
(ig)
PF07654
(C1-set)
3 ARG A 401
VAL A 381
THR A 397
None
0.80A 2nnkA-1ow0A:
undetectable
2nnkA-1ow0A:
18.23
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.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)


(Burkholderia
glumae)
PF00561
(Abhydrolase_1)
no annotation
3 ARG D  94
VAL E 276
THR D 192
None
0.86A 2nnkA-1qgeD:
undetectable
2nnkA-1qgeD:
17.12
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT


(Wolinella
succinogenes)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
3 ARG A 139
VAL A 105
THR A 159
None
0.87A 2nnkA-1qlbA:
undetectable
2nnkA-1qlbA:
10.07
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.
1t8t HEPARAN SULFATE
D-GLUCOSAMINYL
3-O-SULFOTRANSFERASE
3A1


(Homo sapiens)
PF00685
(Sulfotransfer_1)
3 ARG A 248
VAL A 379
THR A 270
None
0.57A 2nnkA-1t8tA:
undetectable
2nnkA-1t8tA:
17.76
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
DIOL DEHYDRASE BETA
SUBUNIT


(Klebsiella
oxytoca)
PF02286
(Dehydratase_LU)
PF02288
(Dehydratase_MU)
3 ARG A 177
VAL A 147
THR B 186
None
0.86A 2nnkA-1uc4A:
undetectable
2nnkA-1uc4A:
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis)
PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C)
3 ARG A 768
VAL A 418
THR A 469
None
0.85A 2nnkA-1ulvA:
undetectable
2nnkA-1ulvA:
7.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9l GLUTAMATE
DEHYDROGENASE


(Pyrobaculum
islandicum)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 ARG A 185
VAL A  72
THR A 148
None
0.80A 2nnkA-1v9lA:
undetectable
2nnkA-1v9lA:
15.42
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.
1vj7 BIFUNCTIONAL
RELA/SPOT


(Streptococcus
dysgalactiae)
PF04607
(RelA_SpoT)
PF13328
(HD_4)
3 ARG A 290
VAL A 282
THR A 313
None
0.65A 2nnkA-1vj7A:
undetectable
2nnkA-1vj7A:
14.92
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.
1wkk NUCLEOSIDE
DIPHOSPHATE KINASE


(Thermus
thermophilus)
PF00334
(NDK)
3 ARG A  31
VAL A  84
THR A   4
None
0.81A 2nnkA-1wkkA:
undetectable
2nnkA-1wkkA:
22.73
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.
1wko TERMINAL FLOWER 1
PROTEIN


(Arabidopsis
thaliana)
PF01161
(PBP)
3 ARG A 122
VAL A  71
THR A 148
None
0.84A 2nnkA-1wkoA:
undetectable
2nnkA-1wkoA:
20.00
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.
1yb5 QUINONE
OXIDOREDUCTASE


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 ARG A  12
VAL A  73
THR A  98
None
0.63A 2nnkA-1yb5A:
undetectable
2nnkA-1yb5A:
13.28
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.
1yr2 PROLYL
OLIGOPEPTIDASE


(Novosphingobium
capsulatum)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
3 ARG A 101
VAL A 479
THR A 429
None
0.83A 2nnkA-1yr2A:
undetectable
2nnkA-1yr2A:
11.41
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.
1ywg GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Plasmodium
falciparum)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
3 ARG O  16
VAL O 290
THR O 242
None
0.67A 2nnkA-1ywgO:
undetectable
2nnkA-1ywgO:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA


(Escherichia
coli)
PF02233
(PNTB)
3 ARG C  58
VAL C 109
THR C 106
None
0.73A 2nnkA-2bruC:
undetectable
2nnkA-2bruC:
21.39
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.
2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII


(Bacillus
anthracis)
PF02568
(ThiI)
PF02926
(THUMP)
3 ARG A 314
VAL A 207
THR A 272
None
0.71A 2nnkA-2c5sA:
undetectable
2nnkA-2c5sA:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE


(Bordetella
pertussis)
PF03497
(Anthrax_toxA)
3 ARG A  15
VAL A  43
THR A  48
None
0.66A 2nnkA-2colA:
undetectable
2nnkA-2colA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpw HYPOTHETICAL PROTEIN
TTHA0179


(Thermus
thermophilus)
PF12804
(NTP_transf_3)
3 ARG A 226
VAL A 222
THR A 131
None
0.81A 2nnkA-2dpwA:
undetectable
2nnkA-2dpwA:
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.
2egg SHIKIMATE
5-DEHYDROGENASE


(Geobacillus
kaustophilus)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N)
3 ARG A 173
VAL A 146
THR A 211
None
0.82A 2nnkA-2eggA:
undetectable
2nnkA-2eggA:
16.16
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1)
PF02225
(PA)
PF04389
(Peptidase_M28)
3 ARG A  42
VAL A 245
THR A 268
None
0.80A 2nnkA-2ek8A:
undetectable
2nnkA-2ek8A:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5t DIPEPTIDYL PEPTIDASE
4


(Homo sapiens)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
3 ARG A 184
VAL A 155
THR A 152
None
0.75A 2nnkA-2g5tA:
undetectable
2nnkA-2g5tA:
10.14
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT


(Stenotrophomonas
maltophilia)
PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4)
3 ARG A 422
VAL A 246
THR A 435
None
0.81A 2nnkA-2gahA:
undetectable
2nnkA-2gahA:
7.07
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.
2gh8 CAPSID PROTEIN

(Vesicular
exanthema of
swine virus)
PF00915
(Calici_coat)
3 ARG A 385
VAL A 612
THR A 620
None
0.85A 2nnkA-2gh8A:
undetectable
2nnkA-2gh8A:
11.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h7g DNA TOPOISOMERASE 1

(Variola virus)
PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N)
3 ARG X  86
VAL X 304
THR X 278
None
0.77A 2nnkA-2h7gX:
undetectable
2nnkA-2h7gX:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iht CARBOXYETHYLARGININE
SYNTHASE


(Streptomyces
clavuligerus)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
3 ARG A 229
VAL A  62
THR A  94
None
0.80A 2nnkA-2ihtA:
undetectable
2nnkA-2ihtA:
10.60
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus)
PF01593
(Amino_oxidase)
3 ARG A  44
VAL A  17
THR A 292
FAD  A1489 (-3.9A)
None
FAD  A1489 ( 4.7A)
0.85A 2nnkA-2jb1A:
undetectable
2nnkA-2jb1A:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN


(Deinococcus
radiodurans)
PF01903
(CbiX)
3 ARG A 427
VAL A 373
THR A 345
None
0.86A 2nnkA-2jh3A:
undetectable
2nnkA-2jh3A:
12.58
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.
2jzd REPLICASE
POLYPROTEIN 1AB


(Severe acute
respiratory
syndrome-related
coronavirus)
PF11633
(SUD-M)
3 ARG A 625
VAL A 635
THR A 528
None
0.84A 2nnkA-2jzdA:
undetectable
2nnkA-2jzdA:
20.00
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.
2lc0 PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8


(Mycobacterium
tuberculosis)
PF12401
(DUF3662)
3 ARG A  10
VAL A 125
THR A 100
None
0.80A 2nnkA-2lc0A:
undetectable
2nnkA-2lc0A:
28.47
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.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH


(Thermus
aquaticus)
PF00448
(SRP54)
PF02881
(SRP54_N)
3 ARG A  36
VAL A  43
THR A  48
None
0.88A 2nnkA-2ng1A:
undetectable
2nnkA-2ng1A:
17.06
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.
2nwq PROBABLE SHORT-CHAIN
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00106
(adh_short)
3 ARG A  80
VAL A  52
THR A  50
None
0.79A 2nnkA-2nwqA:
undetectable
2nnkA-2nwqA:
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN


(Archaeoglobus
fulgidus)
PF00437
(T2SSE)
3 ARG 1 409
VAL 1 265
THR 1 276
None
0.83A 2nnkA-2oap1:
undetectable
2nnkA-2oap1:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2owm RELATED TO
KINESIN-LIKE PROTEIN
KIF1C


(Neurospora
crassa)
PF00225
(Kinesin)
3 ARG A 294
VAL A  40
THR A 415
None
0.60A 2nnkA-2owmA:
undetectable
2nnkA-2owmA:
11.51
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.
2p0d RHO
GTPASE-ACTIVATING
PROTEIN 9


(Homo sapiens)
PF00169
(PH)
3 ARG A 386
VAL A 358
THR A 353
None
0.86A 2nnkA-2p0dA:
undetectable
2nnkA-2p0dA:
19.23
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.
2q0q ARYL ESTERASE

(Mycolicibacterium
smegmatis)
PF13472
(Lipase_GDSL_2)
3 ARG A  33
VAL A  19
THR A  25
GOL  A1730 (-2.9A)
None
None
0.84A 2nnkA-2q0qA:
undetectable
2nnkA-2q0qA:
18.83
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis)
PF03401
(TctC)
3 ARG A  83
VAL A  77
THR A 293
None
0.66A 2nnkA-2qpqA:
undetectable
2nnkA-2qpqA:
15.28
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.
2qqk NEUROPILIN-2

(Homo sapiens)
PF00431
(CUB)
PF00754
(F5_F8_type_C)
3 ARG A 518
VAL A 468
THR A 367
None
0.87A 2nnkA-2qqkA:
undetectable
2nnkA-2qqkA:
11.51
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1


(Saccharomyces
cerevisiae)
PF00012
(HSP70)
3 ARG A  70
VAL A 175
THR A 210
None
0.84A 2nnkA-2qxlA:
undetectable
2nnkA-2qxlA:
9.76
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.
2r9g AAA ATPASE, CENTRAL
REGION


(Enterococcus
faecium)
PF12002
(MgsA_C)
3 ARG A 278
VAL A 320
THR A 298
None
0.78A 2nnkA-2r9gA:
undetectable
2nnkA-2r9gA:
19.12
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.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE


(Bacillus
anthracis)
PF13561
(adh_short_C2)
3 ARG A  60
VAL A  92
THR A 112
None
0.72A 2nnkA-2uvdA:
undetectable
2nnkA-2uvdA:
17.14
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.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4)
PF01771
(Herpes_alk_exo)
3 ARG A  45
VAL A  32
THR A 454
None
0.76A 2nnkA-2w45A:
undetectable
2nnkA-2w45A:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xub DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3


(Homo sapiens)
PF05645
(RNA_pol_Rpc82)
PF08221
(HTH_9)
3 ARG A 150
VAL A 107
THR A  95
None
0.77A 2nnkA-2xubA:
undetectable
2nnkA-2xubA:
12.48
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR


(Methanothermobacter
thermautotrophicus)
PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7)
3 ARG A 149
VAL A 298
THR A 274
None
0.88A 2nnkA-2ycbA:
undetectable
2nnkA-2ycbA:
10.28
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE


(Peptoniphilus
asaccharolyticus)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 ARG A 187
VAL A  73
THR A 149
SO4  A1423 (-2.1A)
None
None
0.72A 2nnkA-2yfqA:
undetectable
2nnkA-2yfqA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2


(Methanocaldococcus
jannaschii)
PF00155
(Aminotran_1_2)
3 ARG A 230
VAL A  48
THR A  43
LLP  A 222 ( 2.8A)
None
None
0.78A 2nnkA-2z61A:
undetectable
2nnkA-2z61A:
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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum)
no annotation 3 ARG A 164
VAL A 172
THR A 137
None
0.84A 2nnkA-3a71A:
undetectable
2nnkA-3a71A:
12.65
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.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1


(Aquifex
aeolicus)
PF02005
(TRM)
3 ARG A 192
VAL A 358
THR A 355
None
0.75A 2nnkA-3axsA:
undetectable
2nnkA-3axsA:
14.93
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron)
PF07980
(SusD_RagB)
3 ARG A 294
VAL A 303
THR A 316
None
0.75A 2nnkA-3ckbA:
undetectable
2nnkA-3ckbA:
11.24
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.
3cps GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE


(Cryptosporidium
parvum)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
3 ARG A 252
VAL A 261
THR A 169
None
0.79A 2nnkA-3cpsA:
undetectable
2nnkA-3cpsA:
15.24
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.
3d3y UNCHARACTERIZED
PROTEIN


(Enterococcus
faecalis)
PF05193
(Peptidase_M16_C)
3 ARG A 343
VAL A 274
THR A 350
None
0.83A 2nnkA-3d3yA:
undetectable
2nnkA-3d3yA:
14.12
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.
3ff2 UNCHARACTERIZED
CYSTATIN FOLD
PROTEIN
(YP_497570.1) FROM
NTF2 SUPERFAMILY


(Novosphingobium
aromaticivorans)
PF12680
(SnoaL_2)
3 ARG A 111
VAL A  23
THR A  47
None
0.77A 2nnkA-3ff2A:
undetectable
2nnkA-3ff2A:
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES


(Salmonella
enterica)
PF01380
(SIS)
3 ARG A  23
VAL A  92
THR A  64
None
0.84A 2nnkA-3fkjA:
undetectable
2nnkA-3fkjA:
13.31
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE


(Giardia
intestinalis)
PF00185
(OTCace)
PF02729
(OTCace_N)
3 ARG A 255
VAL A 264
THR A 239
None
0.75A 2nnkA-3grfA:
undetectable
2nnkA-3grfA:
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.
3gt5 N-ACETYLGLUCOSAMINE
2-EPIMERASE


(Xylella
fastidiosa)
PF07221
(GlcNAc_2-epim)
3 ARG A 204
VAL A 125
THR A 147
None
0.65A 2nnkA-3gt5A:
undetectable
2nnkA-3gt5A:
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.
3h8f CYTOSOL
AMINOPEPTIDASE


(Pseudomonas
putida)
PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N)
3 ARG A 171
VAL A 304
THR A 488
None
0.86A 2nnkA-3h8fA:
undetectable
2nnkA-3h8fA:
12.07
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.
3hdx SUSD SUPERFAMILY
PROTEIN


(Bacteroides
thetaiotaomicron)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
3 ARG A 161
VAL A 106
THR A  68
None
0.83A 2nnkA-3hdxA:
undetectable
2nnkA-3hdxA:
12.55
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.
3hu5 ISOCHORISMATASE
FAMILY PROTEIN


(Desulfovibrio
vulgaris)
PF00857
(Isochorismatase)
3 ARG A  58
VAL A 131
THR A 143
None
0.83A 2nnkA-3hu5A:
undetectable
2nnkA-3hu5A:
20.69
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.
3in5 DNA POLYMERASE KAPPA

(Homo sapiens)
PF00817
(IMS)
PF11798
(IMS_HHH)
PF11799
(IMS_C)
3 ARG A 298
VAL A 177
THR A 305
None
0.87A 2nnkA-3in5A:
undetectable
2nnkA-3in5A:
11.65
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.
3ism CG4930
CG8862


(Drosophila
melanogaster)
PF01223
(Endonuclease_NS)
PF08785
(Ku_PK_bind)
3 ARG A 153
VAL C  50
THR C  55
None
0.78A 2nnkA-3ismA:
undetectable
2nnkA-3ismA:
15.09
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN


(Mycobacterium
tuberculosis)
PF01960
(ArgJ)
3 ARG A 133
VAL A 124
THR A 102
None
0.84A 2nnkA-3it4A:
undetectable
2nnkA-3it4A:
17.65
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42


(Schizosaccharomyces
pombe)
PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
3 ARG A  94
VAL A 519
THR A 148
None
0.81A 2nnkA-3jb9A:
undetectable
2nnkA-3jb9A:
4.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1


(Staphylococcus
aureus)
no annotation 3 ARG Q  15
VAL Q 284
THR Q 239
None
0.66A 2nnkA-3ksdQ:
undetectable
2nnkA-3ksdQ:
14.85
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.
3l6r SERINE RACEMASE

(Homo sapiens)
PF00291
(PALP)
3 ARG A 277
VAL A 293
THR A  38
None
0.82A 2nnkA-3l6rA:
undetectable
2nnkA-3l6rA:
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.
3lm6 STAGE V SPORULATION
PROTEIN AD


(Bacillus
subtilis)
PF07451
(SpoVAD)
3 ARG A 295
VAL A 284
THR A  22
None
0.87A 2nnkA-3lm6A:
undetectable
2nnkA-3lm6A:
12.57
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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN


(Bacillus cereus)
PF02441
(Flavoprotein)
3 ARG A  37
VAL A 124
THR A 117
None
0.70A 2nnkA-3mcuA:
undetectable
2nnkA-3mcuA:
21.74
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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN


(Bacillus cereus)
PF02441
(Flavoprotein)
3 ARG A 170
VAL A 125
THR A 177
None
0.87A 2nnkA-3mcuA:
undetectable
2nnkA-3mcuA:
21.74
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)
3 ARG A   8
VAL A  32
THR A  80
None
0.66A 2nnkA-3mwsA:
19.7
2nnkA-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.
3ol2 SEMAPHORIN-4D

(Homo sapiens)
PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI)
3 ARG A 412
VAL A 404
THR A 332
None
0.85A 2nnkA-3ol2A:
undetectable
2nnkA-3ol2A:
8.83
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF


(Bacillus
subtilis)
PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6)
3 ARG A 124
VAL A 119
THR A 147
None
0.77A 2nnkA-3pdwA:
undetectable
2nnkA-3pdwA:
18.61
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I


(Burkholderia
lata)
PF00117
(GATase)
PF00425
(Chorismate_bind)
3 ARG A 504
VAL A 473
THR A 457
None
0.80A 2nnkA-3r75A:
undetectable
2nnkA-3r75A:
11.09
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE


(Pseudomonas
aeruginosa)
PF02274
(Amidinotransf)
3 ARG A  85
VAL A 160
THR A 165
HM3  A 255 ( 4.7A)
None
None
0.71A 2nnkA-3rhyA:
undetectable
2nnkA-3rhyA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Toxoplasma
gondii)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
3 ARG A 236
VAL A 245
THR A 153
None
0.85A 2nnkA-3sthA:
undetectable
2nnkA-3sthA:
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.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Bacillus
anthracis)
PF00478
(IMPDH)
PF00571
(CBS)
3 ARG A 440
VAL A 360
THR A  34
None
0.34A 2nnkA-3tsdA:
undetectable
2nnkA-3tsdA:
13.09
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B


(Bacillus
subtilis)
PF12705
(PDDEXK_1)
3 ARG B  84
VAL B  75
THR B  79
None
0.83A 2nnkA-3u44B:
undetectable
2nnkA-3u44B:
7.58
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.
3us9 SODIUM/CALCIUM
EXCHANGER 1


(Canis lupus)
PF03160
(Calx-beta)
3 ARG A 547
VAL A 573
THR A 541
None
0.85A 2nnkA-3us9A:
undetectable
2nnkA-3us9A:
14.48
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.
3vcn MANNONATE
DEHYDRATASE


(Caulobacter
vibrioides)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 ARG A 148
VAL A 153
THR A 159
CO3  A 503 (-3.9A)
None
None
0.87A 2nnkA-3vcnA:
undetectable
2nnkA-3vcnA:
11.48
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.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
3 ARG A 423
VAL A 369
THR A 292
None
0.77A 2nnkA-3vi3A:
undetectable
2nnkA-3vi3A:
10.90
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD


(Thermococcus
kodakarensis)
PF01924
(HypD)
3 ARG B  84
VAL B  73
THR B 106
None
0.75A 2nnkA-3vysB:
undetectable
2nnkA-3vysB:
12.94
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
3 ARG A 321
VAL A 344
THR A 301
None
0.85A 2nnkA-3wdjA:
undetectable
2nnkA-3wdjA:
9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7


(Caenorhabditis
elegans)
PF13649
(Methyltransf_25)
3 ARG A 122
VAL A 118
THR A  73
SAH  A 701 (-4.0A)
None
None
0.81A 2nnkA-3wstA:
undetectable
2nnkA-3wstA:
10.84
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN


(Homo sapiens)
no annotation 3 ARG A 227
VAL A 180
THR A  31
None
F1P  A 702 (-3.8A)
None
0.85A 2nnkA-4bb9A:
undetectable
2nnkA-4bb9A:
11.05