SIMILAR PATTERNS OF AMINO ACIDS FOR 3HCP_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.
1euz GLUTAMATE
DEHYDROGENASE

(Thermococcus
profundus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A 237
LEU A 235
ILE A 199
PRO A 257
GLY A 224
 None
 1.37A 3hcpB-1euzA:
0.4		 3hcpB-1euzA:
21.33
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.
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
 1.20A 3hcpB-1zkcA:
undetectable		 3hcpB-1zkcA:
19.26
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 MET A 538
LEU A 576
ILE A 552
ARG A 553
GLY A 304
 None
 1.50A 3hcpB-2bf4A:
4.0		 3hcpB-2bf4A:
19.15
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A  69
ARG A 417
PRO A 392
GLY A 252
MET A 413
 None
 1.47A 3hcpB-2ji9A:
2.9		 3hcpB-2ji9A:
18.99
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		5 LEU A  36
ILE A 278
ARG A 287
PRO A 320
SER A 322
 None
 1.00A 3hcpB-2qtyA:
undetectable		 3hcpB-2qtyA:
22.17
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 MET A 415
LEU A 411
ARG A 147
PRO A 321
GLY A 316
 None
 1.13A 3hcpB-2r9hA:
0.2		 3hcpB-2r9hA:
21.52
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 LEU A 551
ILE A 540
PRO A 586
SER A 585
TRP A 530
 None
 1.49A 3hcpB-2x3kA:
0.0		 3hcpB-2x3kA:
20.32
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) 		9 MET A  99
LEU A 101
ILE A 111
ARG A 114
PRO A 266
SER A 268
GLY A 306
MET A 308
TRP A 310
 CHD  A   2 (-4.0A)
CHD  A   3 ( 4.9A)
CHD  A   2 ( 4.7A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
CHD  A   2 ( 3.8A)
None
CHD  A   2 (-4.7A)
 0.61A 3hcpB-3aqiA:
60.5		 3hcpB-3aqiA:
99.16
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.
3hcy PUTATIVE
TWO-COMPONENT SENSOR
HISTIDINE KINASE
PROTEIN

(Sinorhizobium
meliloti) 		PF13185
(GAF_2) 		5 LEU A  25
ILE A 134
ARG A 138
PRO A  61
GLY A  99
 None
 1.22A 3hcpB-3hcyA:
0.0		 3hcpB-3hcyA:
16.10
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.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		5 LEU A 421
ILE A 383
ARG A 382
SER A  98
GLY A 367
 None
 1.34A 3hcpB-3icjA:
undetectable		 3hcpB-3icjA:
20.26
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.
3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ILE A 232
ARG A 230
PRO A   9
GLY A 255
TRP A 254
 None
 1.30A 3hcpB-3itaA:
undetectable		 3hcpB-3itaA:
22.14
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.
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
 1.40A 3hcpB-3k8zA:
2.1		 3hcpB-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.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		5 MET A  55
LEU A  59
ILE A  83
PRO A  52
GLY A  12
 None
 1.37A 3hcpB-3rpcA:
undetectable		 3hcpB-3rpcA:
21.01
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.
3tl8 EFFECTOR PROTEIN
HOPAB2

(Pseudomonas
syringae group
genomosp. 3) 		PF16847
(AvrPtoB_bdg) 		5 LEU B 348
ARG B 287
PRO B 328
SER B 329
GLY B 325
 None
 1.47A 3hcpB-3tl8B:
undetectable		 3hcpB-3tl8B:
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 LEU A 623
ILE A 619
SER A 520
GLY A 178
MET A 174
 None
 1.23A 3hcpB-4av6A:
undetectable		 3hcpB-4av6A:
18.38
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.
4dmm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Synechococcus
elongatus) 		PF13561
(adh_short_C2) 		5 MET A 195
ARG A 212
PRO A 188
SER A 145
GLY A 244
 None
 1.41A 3hcpB-4dmmA:
3.5		 3hcpB-4dmmA:
21.29
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 5 LEU A  74
ILE A  70
ARG A  67
GLY A 323
MET A 320
 None
 0.99A 3hcpB-4g4iA:
undetectable		 3hcpB-4g4iA:
21.15
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.
4ipa PUTATIVE CURVED
DNA-BINDING PROTEIN

(Chaetomium
thermophilum) 		PF00557
(Peptidase_M24) 		5 LEU A 225
ARG A 336
PRO A 237
GLY A 244
TRP A 243
 None
 1.46A 3hcpB-4ipaA:
undetectable		 3hcpB-4ipaA:
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		5 MET B  81
LEU B  47
ILE B  22
PRO B 121
GLY B  77
 None
 1.48A 3hcpB-4k7gB:
undetectable		 3hcpB-4k7gB:
20.73
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 MET A 176
LEU A 172
ILE A 129
ARG A 128
GLY A  59
 None
 1.31A 3hcpB-4nnbA:
1.2		 3hcpB-4nnbA:
23.29
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.
4rkr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Arthrobacter
sp. FB24) 		PF13377
(Peripla_BP_3) 		5 LEU A 214
ILE A 186
ARG A 183
GLY A 280
MET A 297
 None
 1.45A 3hcpB-4rkrA:
3.6		 3hcpB-4rkrA:
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 LEU A  44
ILE A 192
PRO A 179
SER A  64
GLY A  71
 None
 1.47A 3hcpB-5fn4A:
3.4		 3hcpB-5fn4A:
19.85
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.
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		5 LEU A2335
ILE A2402
ARG A2403
PRO A2191
GLY A2463
 None
 1.47A 3hcpB-5fzoA:
undetectable		 3hcpB-5fzoA:
20.70
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 3hcpB-5t87E:
undetectable		 3hcpB-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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE

(Legionella
pneumophila) 		no annotation 5 LEU A 198
ARG A 201
SER A 319
GLY A 209
MET A 270
 None
None
ZN  A 402 ( 4.6A)
None
ZN  A 402 ( 4.8A)
 1.48A 3hcpB-6eslA:
2.6		 3hcpB-6eslA:
undetectable