SIMILAR PATTERNS OF AMINO ACIDS FOR 4BQF_A_QPSA951

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.
1fns VON WILLEBRAND
FACTOR

(Homo sapiens) 		PF00092
(VWA) 		4 MET A 622
GLY A 652
GLU A 666
ARG A 663
 None
 1.26A 4bqfA-1fnsA:
4.8		 4bqfA-1fnsA:
12.70
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.
1hyn BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF07565
(Band_3_cyto) 		4 GLY P  92
TRP P  94
GLU P  77
ARG P  80
 None
 1.48A 4bqfA-1hynP:
undetectable		 4bqfA-1hynP:
19.28
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.
1k44 NUCLEOSIDE
DIPHOSPHATE KINASE

(Mycobacterium
tuberculosis) 		PF00334
(NDK) 		4 GLY A 105
ARG A  16
GLU A  21
ARG A  25
 None
 1.00A 4bqfA-1k44A:
undetectable		 4bqfA-1k44A:
10.34
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.
1obg PHOSPHORIBOSYLAMIDOI
MIDAZOLE-
SUCCINOCARBOXAMIDE
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01259
(SAICAR_synt) 		4 GLY A 221
ARG A 190
GLU A 228
ARG A  73
 None
 0.98A 4bqfA-1obgA:
undetectable		 4bqfA-1obgA:
17.43
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.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		4 GLY A  18
ARG A  44
GLU A 138
ARG A 133
 None
 1.48A 4bqfA-1q1lA:
undetectable		 4bqfA-1q1lA:
19.58
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.
1q3k CREATININASE

(Pseudomonas
putida) 		PF02633
(Creatininase) 		4 GLY A 130
ARG A 139
GLU A 137
ARG A 104
 None
 1.27A 4bqfA-1q3kA:
2.1		 4bqfA-1q3kA:
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.
1rdu CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF02579
(Nitro_FeMo-Co) 		4 GLY A  91
ARG A 105
GLU A 107
ARG A  88
 None
 1.19A 4bqfA-1rduA:
undetectable		 4bqfA-1rduA:
9.32
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.
1rqb TRANSCARBOXYLASE 5S
SUBUNIT

(Propionibacterium
freudenreichii) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 GLY A  15
TRP A  51
ARG A 124
ARG A  87
 None
 1.31A 4bqfA-1rqbA:
undetectable		 4bqfA-1rqbA:
21.72
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.
1w2d INOSITOL-TRISPHOSPHA
TE 3-KINASE A

(Homo sapiens) 		PF03770
(IPK) 		4 GLY A 438
TRP A 435
ARG A 279
ARG A 268
 None
 0.95A 4bqfA-1w2dA:
undetectable		 4bqfA-1w2dA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w7w NUCLEOSIDE
DIPHOSPHATE KINASE

(Pisum sativum) 		PF00334
(NDK) 		4 GLY A 105
ARG A  17
GLU A  22
ARG A  26
 None
 0.93A 4bqfA-1w7wA:
undetectable		 4bqfA-1w7wA:
13.33
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLY B  35
ARG B 177
GLU B 171
ARG B 115
 None
 1.47A 4bqfA-1w85B:
undetectable		 4bqfA-1w85B:
17.37
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLY A 679
ARG A 713
GLU A 670
ARG A 668
 None
 1.26A 4bqfA-1yguA:
2.2		 4bqfA-1yguA:
20.70
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.
1zs6 NUCLEOSIDE
DIPHOSPHATE KINASE 3

(Homo sapiens) 		PF00334
(NDK) 		4 GLY A 123
ARG A  35
GLU A  40
ARG A  44
 None
 1.15A 4bqfA-1zs6A:
undetectable		 4bqfA-1zs6A:
11.85
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.
2a98 INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE C

(Homo sapiens) 		PF03770
(IPK) 		4 GLY A 660
TRP A 657
ARG A 501
ARG A 490
 None
 1.04A 4bqfA-2a98A:
undetectable		 4bqfA-2a98A:
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.
2ab4 TRNA PSEUDOURIDINE
SYNTHASE B

(Thermotoga
maritima) 		PF01472
(PUA)
PF01509
(TruB_N)
PF16198
(TruB_C_2) 		4 MET A 176
GLY A 179
GLU A  88
ARG A  90
 None
 1.32A 4bqfA-2ab4A:
undetectable		 4bqfA-2ab4A:
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.
2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B

(Mus musculus) 		PF03770
(IPK) 		4 GLY A 915
TRP A 912
ARG A 756
ARG A 745
 None
 1.23A 4bqfA-2aqxA:
undetectable		 4bqfA-2aqxA:
16.11
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.
2bsz ARYLAMINE
N-ACETYLTRANSFERASE
1

(Mesorhizobium
loti) 		PF00797
(Acetyltransf_2) 		4 GLY A 171
TRP A 173
GLU A 146
ARG A 155
 None
 1.24A 4bqfA-2bszA:
undetectable		 4bqfA-2bszA:
16.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		6 MET A 311
GLY A 317
TRP A 318
ARG A 355
GLU A 362
ARG A 366
 FMT  A1803 ( 4.3A)
None
None
FMT  A1803 (-2.9A)
None
None
 0.45A 4bqfA-2c4mA:
53.0		 4bqfA-2c4mA:
42.84
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.
2cjs REGULATING SYNAPTIC
MEMBRANE EXOCYTOSIS
PROTEIN 2
UNC-13 HOMOLOG A

(Rattus
norvegicus) 		PF00168
(C2)
no annotation 		4 GLY A   7
ARG A  86
GLU A 128
ARG C 118
 EDO  A1156 (-3.2A)
None
None
None
 1.32A 4bqfA-2cjsA:
undetectable		 4bqfA-2cjsA:
10.86
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 GLY A  28
ARG A  34
GLU A  20
ARG A  23
 None
 1.45A 4bqfA-2elcA:
undetectable		 4bqfA-2elcA:
17.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		4 TRP A 361
ARG A 398
GLU A 405
ARG A 409
 None
 0.59A 4bqfA-2gj4A:
46.9		 4bqfA-2gj4A:
45.35
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.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 GLY A 181
ARG A 214
GLU A 169
ARG A 172
 None
 1.19A 4bqfA-2hz7A:
undetectable		 4bqfA-2hz7A:
22.52
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.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		4 GLY A  32
TRP A  52
GLU A 286
ARG A 296
 None
 1.29A 4bqfA-2igtA:
undetectable		 4bqfA-2igtA:
18.45
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.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		4 GLY A  74
ARG A  61
GLU A  53
ARG A  81
 None
 1.30A 4bqfA-2o5rA:
undetectable		 4bqfA-2o5rA:
20.38
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.
2o61 TRANSCRIPTION FACTOR
P65/INTERFERON
REGULATORY FACTOR
7/INTERFERON
REGULATORY FACTOR 3
FUSION PROTEIN

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF00605
(IRF)
PF16179
(RHD_dimer) 		4 GLY A1020
TRP A1032
ARG A1104
ARG A1037
 None
 1.11A 4bqfA-2o61A:
undetectable		 4bqfA-2o61A:
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 MET A 860
GLY A 861
ARG A 893
GLU A 866
 None
AKG  A2475 ( 4.8A)
None
None
 1.34A 4bqfA-2vdcA:
undetectable		 4bqfA-2vdcA:
20.17
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.
2vjh PHYCOERYTHRIN ALPHA
CHAIN

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		4 MET A 144
GLY A 145
GLU A 151
ARG A  33
 None
 1.40A 4bqfA-2vjhA:
undetectable		 4bqfA-2vjhA:
12.90
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		4 GLY A 398
ARG A 211
GLU A 440
ARG A 190
 None
 1.33A 4bqfA-2vmfA:
undetectable		 4bqfA-2vmfA:
20.77
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		4 GLY A 398
ARG A 447
GLU A 440
ARG A 190
 None
 1.20A 4bqfA-2vmfA:
undetectable		 4bqfA-2vmfA:
20.77
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.
2w6r IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISF

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		4 GLY A 127
ARG A  70
GLU A  46
ARG A   3
 None
 1.27A 4bqfA-2w6rA:
undetectable		 4bqfA-2w6rA:
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		4 GLY A 893
TRP A 895
ARG A 852
ARG A 923
 None
 1.21A 4bqfA-2xqxA:
undetectable		 4bqfA-2xqxA:
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 MET A 529
GLY A 517
TRP A 477
GLU A 415
 None
 1.43A 4bqfA-2yfnA:
undetectable		 4bqfA-2yfnA:
21.83
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.
3a8k AMINOMETHYLTRANSFERA
SE

(Escherichia
coli) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 MET A 232
GLY A 231
GLU A 191
ARG A  40
 None
 1.45A 4bqfA-3a8kA:
undetectable		 4bqfA-3a8kA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9i HOMOCITRATE SYNTHASE

(Thermus
thermophilus) 		PF00682
(HMGL-like) 		4 GLY A 196
ARG A  12
GLU A 227
ARG A 228
 None
LYS  A 378 (-3.4A)
None
None
 1.39A 4bqfA-3a9iA:
undetectable		 4bqfA-3a9iA:
19.52
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.
3d9w PUTATIVE
ACETYLTRANSFERASE

(Nocardia
farcinica) 		PF00797
(Acetyltransf_2) 		4 GLY A 186
TRP A 187
GLU A 155
ARG A 164
 None
 1.45A 4bqfA-3d9wA:
undetectable		 4bqfA-3d9wA:
17.16
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.
3dzm HYPOTHETICAL
CONSERVED PROTEIN

(Thermus
thermophilus) 		no annotation 4 GLY A  34
ARG A 206
GLU A   7
ARG A  36
 None
 1.32A 4bqfA-3dzmA:
undetectable		 4bqfA-3dzmA:
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 175
TRP A 176
GLU A 126
ARG A  46
 None
 1.26A 4bqfA-3fcjA:
undetectable		 4bqfA-3fcjA:
22.37
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.
3jz4 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
[NADP+]

(Escherichia
coli) 		PF00171
(Aldedh) 		4 GLY A  16
TRP A  18
GLU A 193
ARG A   9
 None
 1.36A 4bqfA-3jz4A:
undetectable		 4bqfA-3jz4A:
21.59
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.
3m0z PUTATIVE ALDOLASE

(Klebsiella
pneumoniae) 		PF07071
(KDGP_aldolase) 		4 MET A 164
GLY A 166
GLU A 174
ARG A 170
 None
 1.38A 4bqfA-3m0zA:
undetectable		 4bqfA-3m0zA:
15.74
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.
3m3i PUTATIVE
UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF06172
(Cupin_5) 		4 GLY A 159
ARG A 125
GLU A 136
ARG A 131
 None
 1.49A 4bqfA-3m3iA:
undetectable		 4bqfA-3m3iA:
14.76
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.
3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Clostridium
perfringens) 		PF01259
(SAICAR_synt) 		4 GLY A 207
ARG A 214
GLU A 228
ARG A 232
 None
 1.24A 4bqfA-3nuaA:
undetectable		 4bqfA-3nuaA:
14.53
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.
3og4 INTERLEUKIN-29

(Homo sapiens) 		PF15177
(IL28A) 		4 GLY A  56
TRP A 130
ARG A 160
ARG A 126
 None
 1.44A 4bqfA-3og4A:
undetectable		 4bqfA-3og4A:
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.
3oq9 PROTEIN FADD

(Homo sapiens) 		PF00531
(Death) 		4 GLY H 109
TRP H 112
GLU H 130
ARG H 113
 None
 1.35A 4bqfA-3oq9H:
undetectable		 4bqfA-3oq9H:
7.53
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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		4 GLY A 510
ARG A 506
GLU A 605
ARG A 522
 None
 1.37A 4bqfA-3q9oA:
undetectable		 4bqfA-3q9oA:
20.77
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		4 GLY A 117
ARG A 162
GLU A  44
ARG A 274
 None
 1.17A 4bqfA-3visA:
3.2		 4bqfA-3visA:
17.16
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 GLY A 111
ARG A 414
GLU A 406
ARG A 318
 None
 1.40A 4bqfA-3w5nA:
undetectable		 4bqfA-3w5nA:
20.31
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		4 GLY A  92
TRP A  88
GLU A 159
ARG A 163
 None
 1.30A 4bqfA-3zytA:
undetectable		 4bqfA-3zytA:
17.11
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		4 GLY A 603
TRP A 600
ARG A 229
GLU A 236
 None
None
None
ANP  A 700 ( 4.0A)
 1.40A 4bqfA-4a5aA:
undetectable		 4bqfA-4a5aA:
23.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		4 MET A 352
TRP A 363
GLU A 407
ARG A 411
 None
None
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 1.31A 4bqfA-4bqiA:
64.3		 4bqfA-4bqiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		6 MET A 356
GLY A 362
TRP A 363
ARG A 400
GLU A 407
ARG A 411
 MLR  A 951 ( 3.7A)
MLR  A 951 (-3.6A)
None
MLR  A 951 (-2.9A)
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 0.19A 4bqfA-4bqiA:
64.3		 4bqfA-4bqiA:
100.00
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.
4bz0 PUTATIVE TYPE IV
PILUS BIOSYNTHESIS
PROTEIN

(Burkholderia
pseudomallei) 		PF06864
(PAP_PilO) 		4 GLY A  16
TRP A 123
GLU A 129
ARG A 133
 None
 1.23A 4bqfA-4bz0A:
undetectable		 4bqfA-4bz0A:
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.
4cg1 CUTINASE

(Thermobifida
fusca) 		PF12740
(Chlorophyllase2) 		4 GLY A  78
ARG A 123
GLU A   5
ARG A 235
 None
 1.14A 4bqfA-4cg1A:
3.1		 4bqfA-4cg1A:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqy POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00645
(zf-PARP) 		4 MET A  38
TRP A  51
GLU A  12
ARG A  34
 None
 1.42A 4bqfA-4dqyA:
undetectable		 4bqfA-4dqyA:
9.53
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.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		4 GLY A 203
TRP A 254
GLU A 245
ARG A 250
 None
 1.00A 4bqfA-4dteA:
undetectable		 4bqfA-4dteA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g10 GLUTATHIONE
S-TRANSFERASE
HOMOLOG

(Sphingomonas
paucimobilis) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		4 GLY A 253
TRP A 252
GLU A 178
ARG A 124
 None
 1.36A 4bqfA-4g10A:
undetectable		 4bqfA-4g10A:
14.53
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		4 GLY A 353
ARG A  91
GLU A 361
ARG A 358
 None
 1.36A 4bqfA-4h41A:
undetectable		 4bqfA-4h41A:
16.40
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE ALPHA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		4 GLY A 143
TRP A  82
GLU A  69
ARG A  73
 None
 1.02A 4bqfA-4hstA:
undetectable		 4bqfA-4hstA:
15.29
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.
4jx2 HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		no annotation 4 MET A 256
GLY A 413
TRP A 415
GLU A 419
 None
 1.44A 4bqfA-4jx2A:
undetectable		 4bqfA-4jx2A:
19.29
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.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		4 MET A 160
GLY A 157
ARG A 170
GLU A 146
 None
 1.46A 4bqfA-4k2aA:
4.3		 4bqfA-4k2aA:
16.42
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.
4l5o PUTATIVE GLUTATHIONE
TRANSFERASE

(Clonorchis
sinensis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 GLY A 205
ARG A  18
GLU A 157
ARG A 103
 None
 1.45A 4bqfA-4l5oA:
undetectable		 4bqfA-4l5oA:
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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLY A 143
ARG A 158
GLU A  85
ARG A  84
 None
 1.42A 4bqfA-4na3A:
undetectable		 4bqfA-4na3A:
22.83
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.
4nj5 PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH9

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		4 MET A 153
GLY A 557
ARG A 149
GLU A 554
 None
 1.37A 4bqfA-4nj5A:
undetectable		 4bqfA-4nj5A:
20.20
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.
4ol9 PUTATIVE
2-DEHYDROPANTOATE
2-REDUCTASE

(Mycobacterium
tuberculosis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 GLY A 101
TRP A 175
ARG A 268
GLU A 220
 None
 1.25A 4bqfA-4ol9A:
3.4		 4bqfA-4ol9A:
16.57
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00645
(zf-PARP)
PF08063
(PADR1) 		4 MET A  38
TRP A  51
GLU A  12
ARG A  34
 None
 1.43A 4bqfA-4oqaA:
undetectable		 4bqfA-4oqaA:
15.17
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.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		4 GLY A 335
TRP A 334
ARG A 330
GLU A 262
 None
 1.50A 4bqfA-4pmuA:
undetectable		 4bqfA-4pmuA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 GLY A  88
TRP A  90
GLU A  31
ARG A  94
 None
 1.29A 4bqfA-4qvgA:
undetectable		 4bqfA-4qvgA:
17.03
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.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 MET A 591
GLY A 588
GLU A 548
ARG A 538
 None
 1.49A 4bqfA-4tz0A:
undetectable		 4bqfA-4tz0A:
21.18
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 MET L 333
TRP L 353
GLU L 470
ARG L 487
 None
 1.38A 4bqfA-4u9iL:
undetectable		 4bqfA-4u9iL:
20.38
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.
4wfi CUTINASE

(Saccharomonospora
viridis) 		PF03403
(PAF-AH_p_II) 		4 GLY A 124
ARG A 169
GLU A  50
ARG A 281
 None
 1.14A 4bqfA-4wfiA:
3.0		 4bqfA-4wfiA:
15.27
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.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 GLY A1377
ARG A1443
GLU A1438
ARG A1371
 None
 1.21A 4bqfA-4z3oA:
undetectable		 4bqfA-4z3oA:
22.20
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.
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi arvense) 		PF01344
(Kelch_1) 		4 GLY A 308
ARG A  80
GLU A  41
ARG A 335
 None
 1.17A 4bqfA-5a11A:
undetectable		 4bqfA-5a11A:
17.49
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.
5bxi NUCLEOSIDE
DIPHOSPHATE KINASE

(Toxoplasma
gondii) 		PF00334
(NDK) 		4 GLY A 108
ARG A  20
GLU A  25
ARG A  29
 None
 0.93A 4bqfA-5bxiA:
undetectable		 4bqfA-5bxiA:
11.03
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.
5cwp DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 GLY A 142
ARG A 151
GLU A 145
ARG A 207
 None
 0.93A 4bqfA-5cwpA:
undetectable		 4bqfA-5cwpA:
16.09
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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		4 GLY A  21
ARG A 182
GLU A  25
ARG A 104
 None
 1.47A 4bqfA-5ds0A:
3.6		 4bqfA-5ds0A:
18.65
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.
5esx PURINE/PYRIMIDINE
PHOSPHORIBOSYLTRANSF
ERASE

(Legionella
pneumophila) 		PF00156
(Pribosyltran) 		4 GLY A  84
TRP A  88
GLU A 120
ARG A  91
 None
 1.15A 4bqfA-5esxA:
undetectable		 4bqfA-5esxA:
13.70
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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 MET A 338
GLY A 345
ARG A 165
GLU A 281
 None
 1.46A 4bqfA-5fl7A:
undetectable		 4bqfA-5fl7A:
21.32
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 4 GLY B 302
ARG B  80
GLU B  41
ARG B 329
 None
 1.13A 4bqfA-5gq0B:
undetectable		 4bqfA-5gq0B:
16.82
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 MET A 298
GLY A 356
ARG A 101
GLU A  94
 None
 1.47A 4bqfA-5k3jA:
undetectable		 4bqfA-5k3jA:
21.55
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.
5kk8 NUCLEOSIDE
DIPHOSPHATE KINASE

(Schistosoma
mansoni) 		PF00334
(NDK) 		4 GLY A 103
ARG A  15
GLU A  20
ARG A  24
 None
 0.91A 4bqfA-5kk8A:
undetectable		 4bqfA-5kk8A:
11.44
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.
5m3x ANGIOTENSINOGEN

(Homo sapiens) 		no annotation 4 GLY A  93
TRP A  92
GLU A 324
ARG A 444
 None
 1.22A 4bqfA-5m3xA:
undetectable		 4bqfA-5m3xA:
7.17
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		4 GLY A2110
ARG A1865
GLU A2115
ARG A2070
 None
 1.22A 4bqfA-5mptA:
undetectable		 4bqfA-5mptA:
18.70
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.
5ooo NON-STRUCTURAL
PROTEIN NS-S

(Rift Valley
fever
phlebovirus) 		PF11073
(NSs) 		4 GLY A 116
TRP A 113
GLU A 169
ARG A 196
 None
 1.42A 4bqfA-5oooA:
undetectable		 4bqfA-5oooA:
13.07
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.
5ul4 OXSB PROTEIN

(Bacillus
megaterium) 		PF02310
(B12-binding) 		4 GLY A 141
ARG A 135
GLU A 308
ARG A 311
 None
B12  A 802 ( 3.2A)
B12  A 802 (-3.4A)
B12  A 802 (-3.3A)
 1.36A 4bqfA-5ul4A:
4.9		 4bqfA-5ul4A:
22.90
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.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 MET A 201
GLY A 200
TRP A 198
GLU A 190
 None
 1.25A 4bqfA-5utuA:
4.0		 4bqfA-5utuA:
20.98
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		4 GLY A 198
ARG A 248
GLU A 347
ARG A  39
 None
 1.25A 4bqfA-5veoA:
undetectable		 4bqfA-5veoA:
19.41
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.
5ydp TETR TRANSCRIPTIONAL
REGULATORY PROTEIN

(Dietzia sp.
DQ12-45-1b) 		PF00440
(TetR_N) 		4 GLY A 146
ARG A 173
GLU A 154
ARG A 151
 None
 1.23A 4bqfA-5ydpA:
undetectable		 4bqfA-5ydpA:
12.73
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.
5yww NUCLEOTIDE BINDING
PROTEIN PINC

(Sulfolobus
islandicus) 		no annotation 4 GLY A 217
TRP A 218
GLU A  50
ARG A 172
 None
 1.16A 4bqfA-5ywwA:
undetectable		 4bqfA-5ywwA:
7.65
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.
6fkh ATP SYNTHASE SUBUNIT
ALPHA, CHLOROPLASTIC
ATP SYNTHASE SUBUNIT
BETA, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 MET D 239
GLY D 203
ARG C 165
GLU D 208
 None
 1.42A 4bqfA-6fkhD:
undetectable		 4bqfA-6fkhD:
7.01