SIMILAR PATTERNS OF AMINO ACIDS FOR 4KOY_A_CSCA214_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.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 392
ASN A 147
MET A 146
ILE A 389
LEU A 337
 None
 0.99A 4koyA-1iyxA:
0.3		 4koyA-1iyxA:
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 CYH A  48
PRO A 398
GLY A   8
ILE A  10
LEU A 361
 None
 1.40A 4koyA-1k1dA:
0.0		 4koyA-1k1dA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1px8 BETA-XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF01229
(Glyco_hydro_39) 		5 CYH A  58
ARG A  65
GLY A  62
ILE A  82
LEU A  31
 None
 1.46A 4koyA-1px8A:
1.2		 4koyA-1px8A:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ASN A 226
MET A 225
ILE A 355
ARG A 215
LEU A 346
 CBQ  A2001 (-3.9A)
None
None
None
None
 1.34A 4koyA-1t1sA:
0.5		 4koyA-1t1sA:
18.07
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.
1tu7 GLUTATHIONE
S-TRANSFERASE 2

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ARG A  95
GLY A  64
ILE A  60
ARG A  18
LEU A   5
 GSH  A1001 (-3.6A)
None
None
None
None
 1.39A 4koyA-1tu7A:
undetectable		 4koyA-1tu7A:
22.07
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 111
ASN A 178
ILE A 201
TYR A 202
LEU A 278
 KCX  A 198 ( 3.9A)
None
KCX  A 198 ( 3.6A)
None
None
 1.17A 4koyA-1uagA:
0.0		 4koyA-1uagA:
16.99
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.
1uuf ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN YAHK

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 CYH A  40
GLY A  38
ILE A 342
TYR A 129
ARG A 330
 ZN  A 402 (-2.3A)
None
None
None
None
 1.37A 4koyA-1uufA:
0.0		 4koyA-1uufA:
18.92
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.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		5 PRO A 223
TYR A 215
GLY A 211
ILE A 239
LEU A 153
 None
 1.22A 4koyA-1uwiA:
0.0		 4koyA-1uwiA:
16.36
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		5 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
 PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
 1.37A 4koyA-1v0fA:
undetectable		 4koyA-1v0fA:
12.37
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.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY

(Nostoc sp. PCC
7120) 		PF13472
(Lipase_GDSL_2) 		5 CYH A  27
PRO A  25
ARG A  33
TYR A 188
GLY A  29
 None
 1.39A 4koyA-1vjgA:
undetectable		 4koyA-1vjgA:
22.12
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 394
ASN A 151
MET A 150
ILE A 391
LEU A 339
 None
 1.02A 4koyA-2fymA:
undetectable		 4koyA-2fymA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j87 THYMIDINE KINASE

(Vaccinia virus) 		PF00265
(TK) 		5 GLY A 162
ASN A 163
MET A 165
ILE A 160
LEU A 109
 None
None
None
TTP  A 300 (-4.2A)
TTP  A 300 (-4.8A)
 1.40A 4koyA-2j87A:
undetectable		 4koyA-2j87A:
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.
2rb5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 GLY A  44
ASN A  69
MET A  68
ILE A  49
LEU A  53
 WO6  A 801 (-3.6A)
None
None
None
None
 1.49A 4koyA-2rb5A:
undetectable		 4koyA-2rb5A:
18.94
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.
3ehc SNOAL-LIKE
POLYKETIDE CYCLASE

(Agrobacterium
fabrum) 		PF07366
(SnoaL) 		5 ARG A  36
ILE A 110
TYR A 103
ARG A  44
LEU A  23
 SO4  A 130 (-3.7A)
None
None
None
None
 1.35A 4koyA-3ehcA:
undetectable		 4koyA-3ehcA:
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.
3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Yersinia
pseudotuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ASN A 227
MET A 226
ILE A 356
ARG A 216
LEU A 347
 MG  A 501 ( 4.1A)
None
None
None
None
 1.37A 4koyA-3iieA:
undetectable		 4koyA-3iieA:
18.16
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.
3irz URO-ADHERENCE FACTOR
A

(Staphylococcus
saprophyticus) 		PF17210
(SdrD_B) 		5 PRO A 729
GLY A 473
ILE A 476
TYR A 495
LEU A 734
 None
 1.28A 4koyA-3irzA:
undetectable		 4koyA-3irzA:
17.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		6 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
None
EDO  A 176 ( 4.8A)
 1.28A 4koyA-3kkwA:
32.1		 4koyA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		11 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
TYR A 128
ARG A 141
LEU A 151
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.37A 4koyA-3kkwA:
32.1		 4koyA-3kkwA:
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.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		5 PRO A 322
GLY A 352
ASN A 320
ILE A 372
ARG A 362
 None
 1.47A 4koyA-3q3vA:
undetectable		 4koyA-3q3vA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 CYH A 205
TYR A 233
GLY A 207
ILE A 246
TYR A  79
 None
None
None
None
DSH  A 303 ( 4.9A)
 1.25A 4koyA-3rw9A:
2.1		 4koyA-3rw9A:
19.75
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 PRO A 539
GLY A 115
ASN A 114
TYR A 328
LEU A 119
 None
 1.48A 4koyA-3zuqA:
undetectable		 4koyA-3zuqA:
10.16
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.
4a3r ENOLASE

(Bacillus
subtilis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 392
ASN A 148
MET A 147
ILE A 389
LEU A 337
 None
 1.02A 4koyA-4a3rA:
undetectable		 4koyA-4a3rA:
15.90
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.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PRO A 426
TYR A  60
GLY A 420
ASN A 421
ILE A  45
 None
 1.30A 4koyA-4cokA:
undetectable		 4koyA-4cokA:
15.26
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		5 TYR A 337
GLY A 338
ASN A 339
ARG A 232
LEU A 233
 None
 1.02A 4koyA-4cp6A:
undetectable		 4koyA-4cp6A:
13.71
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.
5j04 ENOLASE

(Synechococcus
elongatus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 392
ASN A 152
MET A 151
ILE A 389
LEU A 337
 None
 0.96A 4koyA-5j04A:
undetectable		 4koyA-5j04A:
17.18
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		5 TYR A 464
GLY A 400
ILE A 402
ARG A 393
LEU A 538
 None
 1.23A 4koyA-5jwfA:
undetectable		 4koyA-5jwfA:
13.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		6 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
None
93M  A 207 (-4.9A)
 1.27A 4koyA-5vdbA:
32.3		 4koyA-5vdbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		11 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
TYR A 128
ARG A 141
LEU A 151
 93M  A 207 (-4.6A)
93M  A 207 (-4.0A)
93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
93M  A 207 (-4.9A)
None
93M  A 207 (-4.9A)
SO4  A 206 (-3.0A)
93M  A 207 (-4.6A)
 0.21A 4koyA-5vdbA:
32.3		 4koyA-5vdbA:
100.00