SIMILAR PATTERNS OF AMINO ACIDS FOR 3HCO_B_CHDB924

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
 1.16A 3hcoB-1jfxA:
0.8		 3hcoB-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.
1ujx POLYNUCLEOTIDE
KINASE
3'-PHOSPHATASE

(Mus musculus) 		no annotation 5 LEU A  38
PRO A  26
VAL A  48
GLY A  43
PRO A  44
 None
 1.31A 3hcoB-1ujxA:
0.0		 3hcoB-1ujxA:
17.45
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.
1wkk NUCLEOSIDE
DIPHOSPHATE KINASE

(Thermus
thermophilus) 		PF00334
(NDK) 		5 MET A  73
LEU A  75
ARG A  24
VAL A  18
GLY A  19
 None
 1.37A 3hcoB-1wkkA:
undetectable		 3hcoB-1wkkA:
17.95
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.
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 3hcoB-1zkcA:
0.0		 3hcoB-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)
 1.36A 3hcoB-1zx5A:
undetectable		 3hcoB-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.
2he4 NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF2

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A 165
ARG A 195
SER A 188
VAL A 228
GLY A 229
 None
 1.24A 3hcoB-2he4A:
0.0		 3hcoB-2he4A:
13.93
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
 1.27A 3hcoB-2w61A:
0.0		 3hcoB-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.
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)
 1.10A 3hcoB-2wabA:
3.8		 3hcoB-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)
 1.42A 3hcoB-2zt9A:
undetectable		 3hcoB-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
ARG A 114
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 (-3.6A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
CHD  A   1 ( 4.9A)
CHD  A   2 ( 3.8A)
None
 0.90A 3hcoB-3aqiA:
54.4		 3hcoB-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) 		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
 0.69A 3hcoB-3aqiA:
54.4		 3hcoB-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)
 1.45A 3hcoB-3egwA:
1.7		 3hcoB-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
 1.37A 3hcoB-3ffrA:
undetectable		 3hcoB-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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 LEU A  56
ARG A  51
PRO A 242
GLY A  12
PRO A  11
 None
 1.40A 3hcoB-3g5iA:
3.0		 3hcoB-3g5iA:
21.87
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.
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 3hcoB-3k8zA:
2.4		 3hcoB-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
 1.44A 3hcoB-3rxyA:
undetectable		 3hcoB-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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 LEU A 131
ARG A 105
PRO A  98
SER A 211
GLY A 103
 None
 1.27A 3hcoB-4ccwA:
2.4		 3hcoB-4ccwA:
21.24
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
 1.33A 3hcoB-4mydA:
2.7		 3hcoB-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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 PRO A 401
VAL A 440
GLY A 441
PRO A 442
MET A 399
 None
 1.40A 3hcoB-4oe6A:
undetectable		 3hcoB-4oe6A:
20.96
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.
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 3hcoB-4pv4A:
2.1		 3hcoB-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 3hcoB-4zfmA:
1.2		 3hcoB-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 3hcoB-5d95A:
undetectable		 3hcoB-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.
5khq RAS-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF00788
(RA) 		5 LEU A 226
ARG A 261
ARG A 257
PRO A 235
GLY A 230
 None
 1.50A 3hcoB-5khqA:
undetectable		 3hcoB-5khqA:
20.75
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.
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)
 1.40A 3hcoB-6fnwA:
undetectable		 3hcoB-6fnwA:
undetectable