SIMILAR PATTERNS OF AMINO ACIDS FOR 3HCN_B_CHDB1_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.
1jfx 1,4-BETA-N-ACETYLMUR
AMIDASE M1

(Streptomyces
coelicolor) 		PF01183
(Glyco_hydro_25) 		5 LEU A 209
ARG A  59
PRO A 159
VAL A  96
GLY A  95
 None
 1.19A 3hcnB-1jfxA:
1.3		 3hcnB-1jfxA:
18.08
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.
1sxj ACTIVATOR 1 40 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 MET C 205
LEU C 169
ARG C 176
PRO C  21
SER C  61
 AGS  C 803 (-4.5A)
AGS  C 803 (-4.8A)
None
AGS  C 803 (-4.3A)
AGS  C 803 (-2.6A)
 1.44A 3hcnB-1sxjC:
0.2		 3hcnB-1sxjC:
22.11
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 MET A 465
LEU A 668
ARG A 674
ARG A 675
GLY A 456
 None
 1.48A 3hcnB-1urjA:
0.0		 3hcnB-1urjA:
16.35
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.
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
 1.15A 3hcnB-1zkcA:
undetectable		 3hcnB-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.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		5 MET A 119
LEU A  83
ARG A 105
SER A 164
GLY A 170
 None
 1.26A 3hcnB-2w61A:
0.0		 3hcnB-2w61A:
22.04
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A  52
ARG A 201
PRO A 175
VAL A 173
GLY A  57
 None
 1.37A 3hcnB-2zxoA:
0.0		 3hcnB-2zxoA:
20.46
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) 		7 MET A  99
LEU A 101
ARG A 114
PRO A 266
SER A 268
VAL A 305
GLY A 306
 CHD  A   2 (-4.0A)
CHD  A   3 ( 4.9A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
CHD  A   1 ( 4.9A)
CHD  A   2 ( 3.8A)
 1.01A 3hcnB-3aqiA:
54.5		 3hcnB-3aqiA:
99.44
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) 		7 MET A  99
LEU A 101
PRO A 266
SER A 268
VAL A 305
GLY A 306
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
 0.87A 3hcnB-3aqiA:
54.5		 3hcnB-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.
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)
 1.49A 3hcnB-3egwA:
1.9		 3hcnB-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.
3ffr PHOSPHOSERINE
AMINOTRANSFERASE
SERC

(Cytophaga
hutchinsonii) 		PF00266
(Aminotran_5) 		5 MET A 146
LEU A 135
ARG A 155
PRO A 174
SER A 170
 None
 1.36A 3hcnB-3ffrA:
2.5		 3hcnB-3ffrA:
21.78
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.
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
 1.42A 3hcnB-3k8zA:
2.0		 3hcnB-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.
3vn4 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 13

(Homo sapiens) 		PF00090
(TSP_1) 		5 MET A 432
LEU A 521
ARG A 625
SER A 538
GLY A 517
 None
 1.33A 3hcnB-3vn4A:
undetectable		 3hcnB-3vn4A:
20.56
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ARG A1385
PRO A1354
SER A1292
GLY A1382
MET A 740
 None
 1.35A 3hcnB-4o9xA:
undetectable		 3hcnB-4o9xA:
10.21
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.
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
 1.38A 3hcnB-4pv4A:
undetectable		 3hcnB-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.
4xhj ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 LEU A 334
PRO A 277
VAL A 256
GLY A 255
MET A 259
 None
 1.30A 3hcnB-4xhjA:
undetectable		 3hcnB-4xhjA:
17.86
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 LEU A 150
PRO A 168
SER A 169
VAL A  59
GLY A  56
 None
 1.37A 3hcnB-4y23A:
undetectable		 3hcnB-4y23A:
20.03
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.
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
 1.46A 3hcnB-5t87E:
undetectable		 3hcnB-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.
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis) 		no annotation 5 LEU A 150
PRO A 168
SER A 169
VAL A  59
GLY A  56
 LEU  A 150 ( 0.6A)
PRO  A 168 ( 1.1A)
SER  A 169 ( 0.0A)
VAL  A  59 ( 0.6A)
GLY  A  56 ( 0.0A)
 1.38A 3hcnB-5xluA:
undetectable		 3hcnB-5xluA:
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.
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)
 1.37A 3hcnB-6fnwA:
undetectable		 3hcnB-6fnwA:
undetectable