SIMILAR PATTERNS OF AMINO ACIDS FOR 3HCO_A_CHDA4_0

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.
1zkc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
LIKE 2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 MET A 410
LEU A 407
PRO A 422
SER A 415
GLY A 332
 None
 1.14A 3hcoA-1zkcA:
0.0		 3hcoA-1zkcA:
20.06
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.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF01238
(PMI_typeI) 		5 LEU A 109
SER A 189
VAL A  99
GLY A 172
PRO A 171
 None
None
None
None
EDO  A 801 (-4.5A)
 1.29A 3hcoA-1zx5A:
undetectable		 3hcoA-1zx5A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 SER A 227
VAL A 260
GLY A 261
PRO A 262
MET A 263
 BGC  A1337 (-4.7A)
None
None
GOL  A1341 ( 4.7A)
BGC  A1337 (-4.5A)
 1.15A 3hcoA-2wabA:
4.1		 3hcoA-2wabA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zt9 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX SUBUNIT 4
CYTOCHROME B6-F
COMPLEX SUBUNIT 5

(Nostoc sp. PCC
7120;
Nostoc sp. PCC
7120;
Nostoc sp. PCC
7120) 		PF00033
(Cytochrome_B)
PF00032
(Cytochrom_B_C)
PF02529
(PetG) 		5 MET A  96
LEU G  13
SER A  89
VAL B  43
GLY B  46
 OPC  H  30 ( 3.9A)
BCR  G 101 ( 4.0A)
None
BCR  G 101 ( 3.9A)
BCR  G 101 ( 4.7A)
 1.41A 3hcoA-2zt9A:
undetectable		 3hcoA-2zt9A:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		8 MET A  99
LEU A 101
PRO A 266
SER A 268
VAL A 305
GLY A 306
PRO A 307
MET A 308
 CHD  A   2 (-4.0A)
CHD  A   3 ( 4.9A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
CHD  A   1 ( 4.9A)
CHD  A   2 ( 3.8A)
None
None
 0.76A 3hcoA-3aqiA:
54.0		 3hcoA-3aqiA:
99.44
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 MET A 783
PRO A 791
SER A 790
VAL A 835
GLY A 833
 None
 1.31A 3hcoA-3c10A:
1.9		 3hcoA-3c10A:
20.09
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 ARG A 260
PRO A 224
SER A 227
VAL A 578
GLY A 541
 MGD  A1246 ( 3.7A)
None
None
MGD  A1246 (-3.9A)
MGD  A1246 (-3.0A)
 1.43A 3hcoA-3egwA:
0.0		 3hcoA-3egwA:
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.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A  46
LEU A  41
ARG A 420
SER A  97
GLY A  76
 None
 1.27A 3hcoA-3k8zA:
3.1		 3hcoA-3k8zA:
22.03
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 5 LEU A 262
PRO A 135
SER A  26
VAL A 139
GLY A 254
 None
 1.47A 3hcoA-3rxyA:
0.6		 3hcoA-3rxyA:
20.50
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.
3vr1 PEPTIDE CHAIN
RELEASE FACTOR 3

(Desulfovibrio
vulgaris) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF16658
(RF3_C) 		5 ARG A 243
PRO A 135
SER A 107
PRO A 251
MET A 137
 None
 1.36A 3hcoA-3vr1A:
2.5		 3hcoA-3vr1A:
19.38
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.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  27
PRO A 231
SER A 229
GLY A 391
PRO A 392
 None
 1.21A 3hcoA-4f32A:
1.6		 3hcoA-4f32A:
21.14
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 MET A 307
LEU A 187
VAL A 322
GLY A 323
PRO A 324
 CO3  A 608 (-4.4A)
None
None
None
None
 1.17A 3hcoA-4gxrA:
3.8		 3hcoA-4gxrA:
23.45
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.
4myd 2-SUCCINYL-6-HYDROXY
-2,4-CYCLOHEXADIENE-
1-CARBOXYLATE
SYNTHASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A  72
PRO A  48
SER A  53
VAL A  91
GLY A  88
 None
 1.30A 3hcoA-4mydA:
2.7		 3hcoA-4mydA:
20.64
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 MET A 319
LEU A 385
ARG A 343
SER A 298
GLY A 349
 None
 1.41A 3hcoA-4pv4A:
undetectable		 3hcoA-4pv4A:
21.25
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		5 ARG A 213
PRO A 373
GLY A 222
PRO A 223
MET A 296
 None
 1.40A 3hcoA-4zfmA:
undetectable		 3hcoA-4zfmA:
20.29
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.
5d95 AMINOTRANSFERASE
CLASS-III

(Sphaerobacter
thermophilus) 		PF00202
(Aminotran_3) 		5 LEU A 118
PRO A 223
SER A 259
VAL A 273
GLY A 272
 None
 1.34A 3hcoA-5d95A:
2.0		 3hcoA-5d95A:
21.26
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.
5t87 CDII IMMUNITY
PROTEIN
CDIA TOXIN

(Cupriavidus
taiwanensis;
Cupriavidus
taiwanensis) 		no annotation
no annotation 		5 MET E 225
LEU E 221
ARG A  75
SER E 180
GLY E 213
 None
 1.49A 3hcoA-5t87E:
undetectable		 3hcoA-5t87E:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 LEU A 430
PRO A 462
SER A 464
VAL A 459
GLY A 437
 None
None
None
None
EDO  A 904 ( 3.4A)
 1.43A 3hcoA-6fnwA:
undetectable		 3hcoA-6fnwA:
undetectable