SIMILAR PATTERNS OF AMINO ACIDS FOR 2R2V_D_ACTD36

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.
1a81 SYK KINASE

(Homo sapiens) 		PF00017
(SH2) 		3 SER A  84
TYR A  74
HIS A  82
 None
 0.79A 2r2vD-1a81A:
0.0		 2r2vD-1a81A:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		3 SER B1547
TYR B1548
HIS B1576
 CYG  B1769 (-3.2A)
None
None
 0.67A 2r2vD-1a9xB:
0.0		 2r2vD-1a9xB:
6.37
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.
1bsh PROTEIN (EPSILON
SUBUNIT)

(Escherichia
coli) 		PF00401
(ATP-synt_DE)
PF02823
(ATP-synt_DE_N) 		3 SER A 106
TYR A 114
HIS A 104
 None
 0.77A 2r2vD-1bshA:
undetectable		 2r2vD-1bshA:
16.26
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.
1dy2 COLLAGEN ALPHA1(XV)
CHAIN

(Mus musculus) 		PF06482
(Endostatin) 		3 SER A 123
TYR A 206
HIS A 193
 None
 0.80A 2r2vD-1dy2A:
undetectable		 2r2vD-1dy2A:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4u NIDOGEN-1

(Mus musculus) 		PF07474
(G2F) 		3 SER A 599
TYR A 546
HIS A 545
 None
 0.72A 2r2vD-1h4uA:
undetectable		 2r2vD-1h4uA:
7.92
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.
1iqr PHOTOLYASE

(Thermus
thermophilus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 SER A 251
TYR A 252
HIS A 253
 FAD  A 421 ( 4.1A)
None
None
 0.72A 2r2vD-1iqrA:
0.0		 2r2vD-1iqrA:
6.12
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		3 SER B 508
TYR B 521
HIS B 520
 None
 0.77A 2r2vD-1k5sB:
0.0		 2r2vD-1k5sB:
6.50
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 SER A 115
TYR A 116
HIS A 117
 None
 0.82A 2r2vD-1knrA:
undetectable		 2r2vD-1knrA:
7.16
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		3 SER A 211
TYR A 174
HIS A 173
 None
 0.60A 2r2vD-1lxyA:
0.0		 2r2vD-1lxyA:
8.75
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		3 SER A 106
TYR A 109
HIS A 107
 None
 0.82A 2r2vD-1m1cA:
undetectable		 2r2vD-1m1cA:
5.29
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 SER A 275
TYR A 161
HIS A 274
 None
 0.69A 2r2vD-1t4bA:
undetectable		 2r2vD-1t4bA:
7.50
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.
1tye INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		3 SER B 282
TYR B 281
HIS B 280
 None
 0.63A 2r2vD-1tyeB:
undetectable		 2r2vD-1tyeB:
6.94
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.
1v5n PDI-LIKE
HYPOTHETICAL PROTEIN
AT1G60420

(Arabidopsis
thaliana) 		PF03107
(C1_2) 		3 SER A  61
TYR A  62
HIS A  63
 None
 0.82A 2r2vD-1v5nA:
undetectable		 2r2vD-1v5nA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zno HYPOTHETICAL UPF0244
PROTEIN VC0702

(Vibrio cholerae) 		PF01931
(NTPase_I-T) 		3 SER A 160
TYR A 163
HIS A 164
 None
 0.38A 2r2vD-1znoA:
undetectable		 2r2vD-1znoA:
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.
1zxj HYPOTHETICAL PROTEIN
MG377 HOMOLOG

(Mycoplasma
pneumoniae) 		no annotation 3 SER A  75
TYR A  78
HIS A  79
 None
 0.76A 2r2vD-1zxjA:
undetectable		 2r2vD-1zxjA:
12.69
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.
2asn NITROPHORIN 2

(Rhodnius
prolixus) 		PF02087
(Nitrophorin) 		3 SER X  65
TYR X  58
HIS X  57
 None
None
HEM  X 201 (-3.2A)
 0.70A 2r2vD-2asnX:
undetectable		 2r2vD-2asnX:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 SER A1029
TYR A1026
HIS A1025
 None
 0.71A 2r2vD-2b39A:
undetectable		 2r2vD-2b39A:
3.11
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.
2c8j FERROCHELATASE 1

(Bacillus
anthracis) 		PF00762
(Ferrochelatase) 		3 SER A 117
TYR A 116
HIS A 115
 None
 0.71A 2r2vD-2c8jA:
undetectable		 2r2vD-2c8jA:
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.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		3 SER A 286
TYR A 279
HIS A 278
 None
 0.48A 2r2vD-2f4oA:
undetectable		 2r2vD-2f4oA:
12.64
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.
2gz3 ASPARTATE
BETA-SEMIALDEHYDE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 SER A 253
TYR A 154
HIS A 252
 None
None
AS2  A 400 (-4.0A)
 0.70A 2r2vD-2gz3A:
undetectable		 2r2vD-2gz3A:
7.27
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.
2hlr BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-2

(Ovis aries) 		PF01064
(Activin_recp) 		3 SER A 119
TYR A  96
HIS A  95
 None
 0.79A 2r2vD-2hlrA:
undetectable		 2r2vD-2hlrA:
12.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hy6 GENERAL CONTROL
PROTEIN GCN4

(Saccharomyces
cerevisiae) 		no annotation 3 SER A  15
TYR A  18
HIS A  19
 None
 0.48A 2r2vD-2hy6A:
4.5		 2r2vD-2hy6A:
61.76
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.
2mpc PYRIN

(Homo sapiens) 		PF02758
(PYRIN) 		3 SER A  38
TYR A  60
HIS A  37
 None
 0.81A 2r2vD-2mpcA:
undetectable		 2r2vD-2mpcA:
19.79
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.
2nra PI PROTEIN

(Escherichia
coli) 		PF01051
(Rep_3) 		3 SER C 183
TYR C 182
HIS C 181
 None
 0.71A 2r2vD-2nraC:
undetectable		 2r2vD-2nraC:
9.13
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		3 SER A 168
TYR A 172
HIS A 166
 None
 0.58A 2r2vD-2qtyA:
undetectable		 2r2vD-2qtyA:
9.82
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.
2ynz GENERAL CONTROL
PROTEIN GCN4,
PUTATIVE INNER
MEMBRANE PROTEIN

(Saccharomyces
cerevisiae;
Salmonella
enterica) 		PF05662
(YadA_stalk) 		3 SER A 806
TYR A 809
HIS A 810
 None
 0.53A 2r2vD-2ynzA:
3.5		 2r2vD-2ynzA:
15.11
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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		3 SER A 187
TYR A 190
HIS A 191
 None
 0.71A 2r2vD-3b74A:
undetectable		 2r2vD-3b74A:
8.09
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.
3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 3 SER B  68
TYR B  71
HIS B  69
 None
 0.78A 2r2vD-3bxwB:
undetectable		 2r2vD-3bxwB:
7.50
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.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		3 SER A 412
TYR A 416
HIS A 414
 None
 0.81A 2r2vD-3byvA:
undetectable		 2r2vD-3byvA:
8.26
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.
3dcm UNCHARACTERIZED
PROTEIN TM_1570

(Thermotoga
maritima) 		PF09936
(Methyltrn_RNA_4) 		3 SER X  23
TYR X  12
HIS X  11
 None
 0.75A 2r2vD-3dcmX:
undetectable		 2r2vD-3dcmX:
11.58
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.
3i7j BETA-LACTAMASE
MB2281C

(Mycobacterium
bovis) 		PF00144
(Beta-lactamase) 		3 SER A  86
TYR A 102
HIS A  85
 None
 0.82A 2r2vD-3i7jA:
undetectable		 2r2vD-3i7jA:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ig0 DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		3 SER A 453
TYR A 524
HIS A 525
 SER  A 453 ( 0.0A)
TYR  A 524 ( 1.3A)
HIS  A 525 ( 1.0A)
 0.74A 2r2vD-3ig0A:
undetectable		 2r2vD-3ig0A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iyj MAJOR CAPSID PROTEIN
L1

(Deltapapillomavirus
4) 		no annotation 3 SER F 453
TYR F  34
HIS F  35
 None
 0.74A 2r2vD-3iyjF:
undetectable		 2r2vD-3iyjF:
5.60
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		3 SER B 719
TYR B 727
HIS B 726
 None
 0.70A 2r2vD-3l91B:
undetectable		 2r2vD-3l91B:
6.02
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.
3m3m GLUTATHIONE
S-TRANSFERASE

(Pseudomonas
protegens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		3 SER A 156
TYR A 155
HIS A 154
 None
 0.54A 2r2vD-3m3mA:
undetectable		 2r2vD-3m3mA:
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.
3ml0 PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		3 SER B 500
TYR B 513
HIS B 512
 None
 0.78A 2r2vD-3ml0B:
undetectable		 2r2vD-3ml0B:
8.98
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.
3nby SNURPORTIN-1

(Homo sapiens) 		PF11538
(Snurportin1) 		3 SER B 266
TYR B 265
HIS B 264
 None
 0.55A 2r2vD-3nbyB:
undetectable		 2r2vD-3nbyB:
5.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3npk GERANYLTRANSTRANSFER
ASE

(Campylobacter
jejuni) 		PF00348
(polyprenyl_synt) 		3 SER A  98
TYR A  99
HIS A  96
 None
 0.81A 2r2vD-3npkA:
undetectable		 2r2vD-3npkA:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o82 PEPTIDE ARYLATION
ENZYME

(Acinetobacter
baumannii) 		PF00501
(AMP-binding) 		3 SER A  44
TYR A  56
HIS A  43
 None
 0.69A 2r2vD-3o82A:
undetectable		 2r2vD-3o82A:
5.82
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		3 SER A 138
TYR A 137
HIS A 136
 None
 0.76A 2r2vD-3pm0A:
undetectable		 2r2vD-3pm0A:
4.74
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.
3pxg NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N) 		3 SER A 101
TYR A 102
HIS A 100
 None
 0.56A 2r2vD-3pxgA:
undetectable		 2r2vD-3pxgA:
7.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		3 SER A 101
TYR A 102
HIS A 100
 None
 0.56A 2r2vD-3pxiA:
undetectable		 2r2vD-3pxiA:
3.47
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 SER A 275
TYR A 160
HIS A 274
 None
None
CYS  A 371 (-3.9A)
 0.71A 2r2vD-3pzrA:
undetectable		 2r2vD-3pzrA:
7.57
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.
3t20 CIS-ACONITATE PORIN
OPDH

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		3 SER A 200
TYR A 199
HIS A 198
 None
 0.80A 2r2vD-3t20A:
undetectable		 2r2vD-3t20A:
7.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 SER A 257
TYR A 156
HIS A 256
 None
None
CYS  A 401 (-3.9A)
 0.76A 2r2vD-3tz6A:
undetectable		 2r2vD-3tz6A:
9.96
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 SER A 279
TYR A 160
HIS A 278
 None
 0.75A 2r2vD-3uw3A:
undetectable		 2r2vD-3uw3A:
7.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vnx FERRITIN

(Ulva pertusa) 		PF00210
(Ferritin) 		3 SER A  55
TYR A  58
HIS A  59
 None
 0.80A 2r2vD-3vnxA:
undetectable		 2r2vD-3vnxA:
10.61
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.
3voq TARGET OF RAPAMYCIN
COMPLEX 2 SUBUNIT
MAPKAP1

(Homo sapiens) 		PF16979
(SIN1_PH) 		3 SER A 405
TYR A 383
HIS A 382
 None
 0.63A 2r2vD-3voqA:
undetectable		 2r2vD-3voqA:
15.97
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.
3wp8 TRIMERIC
AUTOTRANSPORTER
ADHESIN

(Acinetobacter
sp. Tol 5) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		3 SER A2888
TYR A2891
HIS A2892
 None
 0.53A 2r2vD-3wp8A:
undetectable		 2r2vD-3wp8A:
6.73
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.
3x1l CMR6

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		3 SER H 149
TYR H 146
HIS H 145
 None
None
U  I  26 ( 3.5A)
 0.78A 2r2vD-3x1lH:
undetectable		 2r2vD-3x1lH:
7.74
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.
4a0h ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3)
PF13500
(AAA_26) 		3 SER A 680
TYR A 681
HIS A 679
 None
 0.79A 2r2vD-4a0hA:
undetectable		 2r2vD-4a0hA:
3.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 SER B2557
TYR B2556
HIS B2833
 None
 0.74A 2r2vD-4bedB:
undetectable		 2r2vD-4bedB:
2.18
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.
4c95 DNA POLYMERASE
ALPHA-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF12341
(Mcl1_mid) 		3 SER A 631
TYR A 630
HIS A 629
 None
 0.72A 2r2vD-4c95A:
undetectable		 2r2vD-4c95A:
5.71
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		3 SER B 282
TYR B 281
HIS B 280
 None
 0.73A 2r2vD-4cakB:
undetectable		 2r2vD-4cakB:
4.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		3 SER A  84
TYR A  74
HIS A  82
 None
 0.81A 2r2vD-4fl3A:
undetectable		 2r2vD-4fl3A:
4.75
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		3 SER B 492
TYR B 500
HIS B 499
 None
 0.76A 2r2vD-4hstB:
undetectable		 2r2vD-4hstB:
6.37
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.
4ife GENE 2 PROTEIN

(Shigella virus
Sf6) 		PF04466
(Terminase_3)
PF17288
(Terminase_3C) 		3 SER A 241
TYR A 293
HIS A 292
 None
 0.55A 2r2vD-4ifeA:
undetectable		 2r2vD-4ifeA:
5.03
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		3 SER A1196
TYR A1206
HIS A1205
 None
 0.41A 2r2vD-4iglA:
undetectable		 2r2vD-4iglA:
3.14
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.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		3 SER A 190
TYR A 191
HIS A 189
 FOL  A 301 (-2.6A)
FOL  A 301 (-4.1A)
None
 0.64A 2r2vD-4kmzA:
undetectable		 2r2vD-4kmzA:
11.50
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.
4kng E3 UBIQUITIN-PROTEIN
LIGASE RNF43

(Homo sapiens) 		no annotation 3 SER E  85
TYR E  89
HIS E  86
 None
 0.77A 2r2vD-4kngE:
undetectable		 2r2vD-4kngE:
23.08
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.
4lh7 DNA LIGASE

(Enterococcus
faecalis) 		PF01653
(DNA_ligase_aden) 		3 SER A  26
TYR A  29
HIS A  27
 NMN  A 402 (-4.4A)
NMN  A 402 (-3.5A)
None
 0.82A 2r2vD-4lh7A:
undetectable		 2r2vD-4lh7A:
8.36
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.
4lrh FOLATE RECEPTOR
ALPHA

(Homo sapiens) 		PF03024
(Folate_rec) 		3 SER A 174
TYR A 175
HIS A 173
 FOL  A 301 (-2.8A)
FOL  A 301 (-4.1A)
None
 0.66A 2r2vD-4lrhA:
undetectable		 2r2vD-4lrhA:
19.81
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		3 SER A 309
TYR A 435
HIS A 311
 None
 0.46A 2r2vD-4m00A:
undetectable		 2r2vD-4m00A:
10.00
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.
4m01 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		no annotation 3 SER A 309
TYR A 435
HIS A 311
 None
 0.49A 2r2vD-4m01A:
undetectable		 2r2vD-4m01A:
10.00
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		3 SER A 437
TYR A 464
HIS A 463
 None
 0.82A 2r2vD-4nenA:
undetectable		 2r2vD-4nenA:
3.20
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.
4o1o RIBONUCLEASE L

(Sus scrofa) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		3 SER A 476
TYR A 478
HIS A 474
 None
 0.67A 2r2vD-4o1oA:
undetectable		 2r2vD-4o1oA:
4.52
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.
4oy7 PUTATIVE SECRETED
CELLULOSE BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF03067
(LPMO_10) 		3 SER A 139
TYR A 138
HIS A 189
 None
 0.73A 2r2vD-4oy7A:
undetectable		 2r2vD-4oy7A:
11.73
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.
4ry0 PROBABLE RIBOSE ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF13407
(Peripla_BP_4) 		3 SER A 169
TYR A 172
HIS A 173
 None
 0.60A 2r2vD-4ry0A:
undetectable		 2r2vD-4ry0A:
9.05
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.
4woj ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE

(Francisella
tularensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 SER A 271
TYR A 161
HIS A 270
 None
 0.77A 2r2vD-4wojA:
undetectable		 2r2vD-4wojA:
7.01
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.
4xba APRATAXIN-LIKE
PROTEIN

(Schizosaccharomyces
pombe) 		PF01230
(HIT)
PF16278
(zf-C2HE) 		3 SER A 163
TYR A 166
HIS A 165
 None
 0.79A 2r2vD-4xbaA:
undetectable		 2r2vD-4xbaA:
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.
4xw3 ATP-DEPENDENT RNA
HELICASE DDX1

(Homo sapiens) 		PF00622
(SPRY) 		3 SER A 272
TYR A  96
HIS A 271
 None
 0.74A 2r2vD-4xw3A:
undetectable		 2r2vD-4xw3A:
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		3 SER A  15
TYR A  28
HIS A  27
 None
 0.77A 2r2vD-4y0wA:
undetectable		 2r2vD-4y0wA:
10.19
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.
4y5o MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 3

(Homo sapiens) 		PF00564
(PB1) 		3 SER B  91
TYR B  85
HIS B  84
 None
 0.75A 2r2vD-4y5oB:
undetectable		 2r2vD-4y5oB:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		3 SER A 342
TYR A 341
HIS A 340
 None
 0.77A 2r2vD-4z26A:
undetectable		 2r2vD-4z26A:
4.43
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.
5app GENERAL CONTROL
PROTEIN GCN4, OUTER
MEMBRANE PROTEIN 100

(Aggregatibacter
actinomycetemcomitans;
Saccharomyces
cerevisiae) 		no annotation 3 SER A 212
TYR A 215
HIS A 216
 None
 0.77A 2r2vD-5appA:
undetectable		 2r2vD-5appA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b86 TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 2

(Mus musculus) 		PF06046
(Sec6) 		3 SER A 248
TYR A 251
HIS A 252
 None
 0.53A 2r2vD-5b86A:
undetectable		 2r2vD-5b86A:
6.07
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.
5bnt ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		no annotation 3 SER C 276
TYR C 161
HIS C 275
 None
 0.73A 2r2vD-5bntC:
undetectable		 2r2vD-5bntC:
6.88
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.
5c12 GENE 2 PROTEIN

(Shigella virus
Sf6) 		PF17288
(Terminase_3C) 		3 SER A 241
TYR A 293
HIS A 292
 None
 0.56A 2r2vD-5c12A:
undetectable		 2r2vD-5c12A:
8.30
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.
5cpc SECRETED EFFECTOR
PROTEIN SOPD

(Salmonella
enterica) 		PF11047
(SopD) 		3 SER A 302
TYR A 296
HIS A 299
 None
 0.81A 2r2vD-5cpcA:
undetectable		 2r2vD-5cpcA:
8.97
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		3 SER A 211
TYR A 210
HIS A 209
 None
 0.82A 2r2vD-5czwA:
undetectable		 2r2vD-5czwA:
8.82
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.
5dis SNURPORTIN-1

(Homo sapiens) 		PF11538
(Snurportin1) 		3 SER C 267
TYR C 266
HIS C 265
 None
 0.43A 2r2vD-5disC:
undetectable		 2r2vD-5disC:
8.27
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.
5djs TETRATRICOPEPTIDE
TPR_2 REPEAT PROTEIN

(Thermobaculum
terrenum) 		PF13181
(TPR_8)
PF13844
(Glyco_transf_41) 		3 SER A  78
TYR A  81
HIS A  80
 None
 0.76A 2r2vD-5djsA:
undetectable		 2r2vD-5djsA:
7.16
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.
5j3e THYMOCYTE NUCLEAR
PROTEIN 1

(Homo sapiens) 		PF01878
(EVE) 		3 SER A 180
TYR A 181
HIS A 182
 None
 0.81A 2r2vD-5j3eA:
undetectable		 2r2vD-5j3eA:
9.82
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.
5lnb UBIQUITIN-LIKE-SPECI
FIC PROTEASE 2

(Saccharomyces
cerevisiae) 		PF02902
(Peptidase_C48) 		3 SER B 124
TYR B 125
HIS B 126
 None
ACT  B 901 (-3.2A)
None
 0.64A 2r2vD-5lnbB:
1.3		 2r2vD-5lnbB:
9.29
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN6

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		3 SER Q 182
TYR Q 185
HIS Q 186
 None
 0.45A 2r2vD-5mpdQ:
undetectable		 2r2vD-5mpdQ:
6.76
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN6

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		3 SER Q 245
TYR Q 246
HIS Q 247
 None
 0.77A 2r2vD-5mpdQ:
undetectable		 2r2vD-5mpdQ:
6.76
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.
5o8r L-LYSINE
6-MONOOXYGENASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 3 SER A 159
TYR A 339
HIS A 340
 None
FAD  A 501 ( 4.5A)
None
 0.77A 2r2vD-5o8rA:
undetectable		 2r2vD-5o8rA:
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.
5oom 39S RIBOSOMAL
PROTEIN L22,
MITOCHONDRIAL

(Homo sapiens) 		PF00237
(Ribosomal_L22) 		3 SER T 147
TYR T 174
HIS T 173
 None
None
C  A1672 ( 3.6A)
 0.55A 2r2vD-5oomT:
undetectable		 2r2vD-5oomT:
11.50
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.
5twg MOB KINASE ACTIVATOR
1A

(Homo sapiens) 		PF03637
(Mob1_phocein) 		3 SER A  23
TYR A  26
HIS A  24
 None
 0.82A 2r2vD-5twgA:
undetectable		 2r2vD-5twgA:
10.65
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.
5u2p SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Treponema
pallidum) 		PF01547
(SBP_bac_1) 		3 SER A  52
TYR A  51
HIS A  50
 None
 0.59A 2r2vD-5u2pA:
undetectable		 2r2vD-5u2pA:
6.94
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		3 SER A 503
TYR A 511
HIS A 510
 None
 0.73A 2r2vD-5ubkA:
undetectable		 2r2vD-5ubkA:
4.81
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.
5udb CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae) 		PF16679
(CDT1_C) 		3 SER 8 146
TYR 8 148
HIS 8 147
 None
 0.78A 2r2vD-5udb8:
1.6		 2r2vD-5udb8:
5.76
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.
5voc ENVELOPE
GLYCOPROTEIN H

(Human
betaherpesvirus
5) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		3 SER A 316
TYR A 320
HIS A 318
 None
 0.81A 2r2vD-5vocA:
undetectable		 2r2vD-5vocA:
3.66
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 3 SER A 433
TYR A 384
HIS A 383
 None
 0.74A 2r2vD-5xexA:
undetectable		 2r2vD-5xexA:
6.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y0e -

(-) 		no annotation 3 SER A 249
TYR A 252
HIS A 250
 None
None
SO4  A 501 (-4.4A)
 0.82A 2r2vD-5y0eA:
undetectable		 2r2vD-5y0eA:
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.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 3 SER A 433
TYR A 384
HIS A 383
 None
 0.78A 2r2vD-5yjjA:
undetectable		 2r2vD-5yjjA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 3 SER A 594
TYR A 621
HIS A 623
 None
 0.74A 2r2vD-5zlnA:
undetectable		 2r2vD-5zlnA:
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.
6bac ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		no annotation 3 SER A 276
TYR A 161
HIS A 275
 None
 0.75A 2r2vD-6bacA:
undetectable		 2r2vD-6bacA:
6.86
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.
6bsp MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
9) 		no annotation 3 SER C 456
TYR C  35
HIS C  36
 None
 0.76A 2r2vD-6bspC:
undetectable		 2r2vD-6bspC:
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.
6chk TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Lactobacillus
paracasei) 		no annotation 3 SER A 195
TYR A 161
HIS A 160
 None
None
CL  A 403 (-4.7A)
 0.72A 2r2vD-6chkA:
undetectable		 2r2vD-6chkA:
undetectable