SIMILAR PATTERNS OF AMINO ACIDS FOR 3KM6_B_EAAB222_1

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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 138
VAL A 129
VAL A  15
ASN A 131
GLY A 117
 None
 1.27A 3km6B-1ebdA:
0.0		 3km6B-1ebdA:
19.64
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.
1gyc LACCASE 2

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PHE A  31
VAL A  15
VAL A  10
ASN A  28
GLY A  29
 None
 1.29A 3km6B-1gycA:
undetectable		 3km6B-1gycA:
18.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lbk GLUTATHIONE
S-TRANSFERASE CLASS
PI CHIMAERA (CODA)

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 TYR A   7
PHE A   8
VAL A  10
VAL A  35
TRP A  38
GLN A  39
 None
GSH  A 504 (-4.7A)
None
None
GSH  A 504 (-3.9A)
None
 0.29A 3km6B-1lbkA:
36.0		 3km6B-1lbkA:
96.15
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.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 VAL A 220
GLN A  46
VAL A  39
ASN A  19
GLY A  18
 PXL  A 288 (-4.5A)
PXL  A 288 (-3.9A)
None
None
PXL  A 288 ( 4.1A)
 1.41A 3km6B-1td2A:
0.5		 3km6B-1td2A:
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.
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Homo sapiens) 		PF00698
(Acyl_transf_1) 		5 VAL A 125
VAL A 118
GLN A  85
VAL A  61
GLY A 135
 None
 1.28A 3km6B-2c2nA:
0.0		 3km6B-2c2nA:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gsr CLASS PI GST
GLUTATHIONE
S-TRANSFERASE

(Sus scrofa) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 TYR A   7
PHE A   8
VAL A  10
TRP A  38
ASN A 202
GLY A 203
 GTS  A 208 (-4.5A)
GTS  A 208 (-4.7A)
None
GTS  A 208 (-3.9A)
None
None
 0.21A 3km6B-2gsrA:
35.8		 3km6B-2gsrA:
81.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iut DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		5 PHE A 553
VAL A 547
VAL A 557
ASN A 549
GLY A 552
 None
 1.40A 3km6B-2iutA:
0.0		 3km6B-2iutA:
16.75
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.
2iuu DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		5 PHE A 553
VAL A 547
VAL A 557
ASN A 549
GLY A 552
 None
 1.47A 3km6B-2iuuA:
0.0		 3km6B-2iuuA:
17.81
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.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 226
TRP A 212
VAL A 233
ASN A 231
GLY A 228
 PLM  A 502 (-3.9A)
None
None
None
None
 1.21A 3km6B-2nnjA:
undetectable		 3km6B-2nnjA:
19.95
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.
2oz4 INTERCELLULAR
ADHESION MOLECULE 1

(Homo sapiens) 		no annotation 5 PHE A 243
VAL A 218
VAL A 236
ASN A 240
GLY A 239
 None
None
None
NAG  A1240 (-1.8A)
None
 1.47A 3km6B-2oz4A:
undetectable		 3km6B-2oz4A:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 PHE A 410
VAL A 421
VAL A 333
ASN A 392
GLY A 391
 None
 1.47A 3km6B-2pqdA:
undetectable		 3km6B-2pqdA:
19.86
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 TYR A 279
PHE A 297
GLN A 288
VAL A 441
GLY A 249
 None
 1.05A 3km6B-2wghA:
undetectable		 3km6B-2wghA:
16.20
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.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 PHE A 260
VAL A 267
VAL A  53
TRP A 319
GLY A 302
 None
 1.49A 3km6B-3aatA:
undetectable		 3km6B-3aatA:
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 PHE A 589
VAL A 585
GLN A 649
VAL A 716
GLY A 594
 None
 1.07A 3km6B-3aqpA:
undetectable		 3km6B-3aqpA:
15.72
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.
3dwl ACTIN-RELATED
PROTEIN 3

(Schizosaccharomyces
pombe) 		PF00022
(Actin) 		5 VAL A 376
VAL A 184
VAL A 247
ASN A 344
GLY A 343
 None
 1.43A 3km6B-3dwlA:
undetectable		 3km6B-3dwlA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 PHE A 248
VAL A 246
GLN A 288
VAL A 199
ASN A 234
 None
 1.31A 3km6B-3emyA:
undetectable		 3km6B-3emyA:
20.54
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 VAL A 619
TRP A 670
GLN A 667
VAL A 644
GLY A 640
 None
 1.32A 3km6B-3gsiA:
undetectable		 3km6B-3gsiA:
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PHE A 516
VAL A 580
VAL A 588
TRP A 514
GLY A 585
 None
 1.50A 3km6B-3gyrA:
undetectable		 3km6B-3gyrA:
17.88
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.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		5 TYR A 180
VAL A 205
GLN A 132
VAL A 246
GLY A 122
 None
GNG  A 800 (-4.4A)
None
GNG  A 800 (-4.2A)
GNG  A 800 (-3.6A)
 1.45A 3km6B-3iomA:
undetectable		 3km6B-3iomA:
21.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o76 GLUTATHIONE
S-TRANSFERASE P 1

(Mus musculus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PHE A   8
VAL A  10
VAL A 104
ASN A 204
GLY A 205
 GTB  A 210 (-4.5A)
None
None
None
GTB  A 210 (-3.7A)
 1.29A 3km6B-3o76A:
36.6		 3km6B-3o76A:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o76 GLUTATHIONE
S-TRANSFERASE P 1

(Mus musculus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 TYR A   7
PHE A   8
VAL A  10
TRP A  38
ASN A 204
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.0A)
None
GTB  A 210 (-3.7A)
 0.27A 3km6B-3o76A:
36.6		 3km6B-3o76A:
84.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		5 VAL A  96
VAL A 409
GLN A 105
VAL A 427
ASN A 423
 None
 1.39A 3km6B-3pm0A:
undetectable		 3km6B-3pm0A:
18.96
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		5 VAL A 219
GLN A  45
VAL A  38
ASN A  18
GLY A  17
 SO4  A 288 (-3.6A)
None
None
None
None
 1.37A 3km6B-3pzsA:
undetectable		 3km6B-3pzsA:
21.77
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.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		5 TYR A 154
VAL A 135
VAL A 119
GLN A 116
GLY A 111
 None
 1.48A 3km6B-3s5nA:
undetectable		 3km6B-3s5nA:
22.48
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 TYR A  34
PHE A  30
VAL A  27
GLN A 520
ASN A  89
 None
 1.45A 3km6B-3v5rA:
undetectable		 3km6B-3v5rA:
17.79
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.
3wzf ASPARTATE
AMINOTRANSFERASE,
CYTOPLASMIC

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 PHE A 260
VAL A 267
VAL A  53
TRP A 319
GLY A 302
 None
 1.48A 3km6B-3wzfA:
undetectable		 3km6B-3wzfA:
19.17
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF00121
(TIM) 		5 PHE A 126
VAL A 165
VAL A 128
GLN A 147
VAL A 201
 None
 1.33A 3km6B-4bi5A:
undetectable		 3km6B-4bi5A:
20.94
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.
4e93 TYROSINE-PROTEIN
KINASE FES/FPS

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 PHE A 480
VAL A 495
VAL A 549
TRP A 460
GLY A 478
 None
 1.45A 3km6B-4e93A:
undetectable		 3km6B-4e93A:
20.53
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 TYR A 336
PHE A 422
VAL A 396
ASN A 428
GLY A 426
 None
 1.48A 3km6B-4kxbA:
1.1		 3km6B-4kxbA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mqd DNA-ENTRY NUCLEASE
INHIBITOR

(Bacillus
subtilis) 		PF11033
(ComJ) 		5 TYR A 106
VAL A  82
VAL A  19
ASN A  85
GLY A  86
 None
 1.32A 3km6B-4mqdA:
undetectable		 3km6B-4mqdA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nsp ENDONUCLEASE V

(Homo sapiens) 		PF04493
(Endonuclease_5) 		5 PHE A 136
VAL A  28
VAL A 125
ASN A 128
GLY A 129
 None
 0.92A 3km6B-4nspA:
undetectable		 3km6B-4nspA:
22.10
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.
4p52 HOMOSERINE KINASE

(Cytophaga
hutchinsonii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 VAL A  22
TRP A 204
VAL A 231
ASN A  15
GLY A  19
 None
 1.44A 3km6B-4p52A:
undetectable		 3km6B-4p52A:
23.10
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		5 PHE A 248
VAL A 255
VAL A  49
TRP A 307
GLY A 290
 None
 1.49A 3km6B-4wd2A:
undetectable		 3km6B-4wd2A:
20.97
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 PHE A  74
VAL A  79
VAL A 370
GLN A 286
GLY A  72
 None
 1.46A 3km6B-4x4jA:
undetectable		 3km6B-4x4jA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5agt LEUCINE--TRNA LIGASE

(Mycobacterium
tuberculosis) 		PF13603
(tRNA-synt_1_2) 		5 TYR A 347
PHE A 426
VAL A 349
VAL A 408
TRP A 373
 None
 1.39A 3km6B-5agtA:
undetectable		 3km6B-5agtA:
24.57
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.
5aoy ENDONUCLEASE V

(Mus musculus) 		PF04493
(Endonuclease_5) 		5 PHE A 136
VAL A  28
VAL A 125
ASN A 128
GLY A 129
 None
 0.90A 3km6B-5aoyA:
undetectable		 3km6B-5aoyA:
23.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d73 GLUTATHIONE
S-TRANSFERASE

(Wuchereria
bancrofti) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 TYR A   7
PHE A   8
TRP A  38
ASN A 203
GLY A 204
 None
GSH  A 301 (-4.9A)
GSH  A 301 (-4.0A)
None
None
 0.40A 3km6B-5d73A:
30.5		 3km6B-5d73A:
41.90
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens) 		PF00400
(WD40) 		5 TYR C  74
PHE C  67
VAL C  69
VAL C  50
GLY C 553
 None
 1.41A 3km6B-5k1cC:
undetectable		 3km6B-5k1cC:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		5 VAL A 218
GLN A  46
VAL A  39
ASN A  19
GLY A  18
 None
 1.39A 3km6B-5trwA:
undetectable		 3km6B-5trwA:
20.76
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 TYR A1203
VAL A1251
VAL A1193
ASN A1199
GLY A1254
 None
 1.31A 3km6B-5x7sA:
undetectable		 3km6B-5x7sA:
10.54
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.
6aqj KETOL-ACID
REDUCTOISOMERASE
(NADP(+))

(Staphylococcus
aureus) 		no annotation 5 VAL A  70
VAL A  78
GLN A  85
VAL A 122
ASN A 101
 None
None
NDP  A 407 (-3.9A)
None
None
 1.48A 3km6B-6aqjA:
undetectable		 3km6B-6aqjA:
20.69