SIMILAR PATTERNS OF AMINO ACIDS FOR 4A6N_C_T1CC392_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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ARG A 325
MET A 338
GLY A 432
SER A 284
GLY A 161
 None
 1.46A 4a6nC-1r8wA:
0.0		 4a6nC-1r8wA:
19.37
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.
1tr1 BETA-GLUCOSIDASE A

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		5 GLN A 311
MET A 176
PHE A 309
GLY A 308
GLY A 271
 None
 1.50A 4a6nC-1tr1A:
0.0		 4a6nC-1tr1A:
22.18
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.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans) 		PF04616
(Glyco_hydro_43) 		5 ASN A 144
PHE A 162
ASN A 149
GLY A 163
GLY A 112
 None
 1.15A 4a6nC-1wl7A:
undetectable		 4a6nC-1wl7A:
22.33
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.
2az3 NUCLEOSIDE
DIPHOSPHATE KINASE

(Halobacterium
salinarum) 		PF00334
(NDK) 		5 PHE A   9
ASN A 129
GLY A 120
GLY A  38
MET A  42
 None
 1.24A 4a6nC-2az3A:
0.0		 4a6nC-2az3A:
17.53
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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT
COWPEA MOSAIC VIRUS,
SMALL (S) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP)
PF02248
(Como_SCP) 		5 ARG S 170
GLY S 173
SER L  94
GLY L 133
MET L 140
 None
 1.30A 4a6nC-2bfuS:
undetectable		 4a6nC-2bfuS:
20.11
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLN A 775
PHE A 779
GLY A 776
SER A 844
GLY A 839
 None
 1.43A 4a6nC-2inyA:
0.0		 4a6nC-2inyA:
17.93
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.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		5 ASN A 686
MET A 588
GLY A 591
SER A 684
GLY A 773
 RIE  A 876 ( 4.8A)
None
None
RIE  A 876 (-2.5A)
None
 1.47A 4a6nC-2r4fA:
undetectable		 4a6nC-2r4fA:
23.52
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.
2wim NEURAL CELL ADHESION
MOLECULE 2

(Homo sapiens) 		PF07679
(I-set) 		5 ASN A 273
ASN A 219
GLY A 276
SER A 274
GLY A 225
 None
NAG  A 951 (-1.8A)
None
None
None
 1.49A 4a6nC-2wimA:
undetectable		 4a6nC-2wimA:
20.34
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.20A 4a6nC-2wk2A:
0.0		 4a6nC-2wk2A:
22.05
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.
2zua NUCLEOSIDE
DIPHOSPHATE KINASE

(Haloarcula
quadrata) 		PF00334
(NDK) 		5 PHE A   8
ASN A 128
GLY A 119
GLY A  37
MET A  41
 None
 1.36A 4a6nC-2zuaA:
undetectable		 4a6nC-2zuaA:
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		5 GLN A 604
GLY A 440
SER A 454
PRO A 690
GLY A 693
 None
 1.40A 4a6nC-3fbyA:
undetectable		 4a6nC-3fbyA:
19.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		10 ASN A 190
GLN A 192
ARG A 213
MET A 215
ASN A 226
GLY A 236
SER A 238
PRO A 318
GLY A 321
MET A 375
 FAD  A 401 ( 4.5A)
FAD  A 401 (-3.4A)
SO4  A   1 (-4.5A)
None
SO4  A   1 (-4.5A)
None
None
FAD  A 401 (-4.4A)
None
None
 0.56A 4a6nC-3p9uA:
58.4		 4a6nC-3p9uA:
94.47
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ASN A 240
MET A 137
ASN A 178
SER A 140
GLY A 219
 None
 1.41A 4a6nC-3u5tA:
6.2		 4a6nC-3u5tA:
25.65
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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		5 ASN A 287
GLN A 289
MET A 343
GLY A 393
GLY A 369
 None
 1.42A 4a6nC-4a0mA:
undetectable		 4a6nC-4a0mA:
21.86
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.
4fet SPORE CORTEX-LYTIC
ENZYME PREPEPTIDE

(Bacillus
anthracis) 		no annotation 5 ASN B 215
GLY B 216
PRO B 133
GLY B 135
MET B 144
 None
 1.26A 4a6nC-4fetB:
undetectable		 4a6nC-4fetB:
19.25
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.
4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN

(Bacillus
anthracis) 		PF00188
(CAP)
PF14504
(CAP_assoc_N) 		5 MET A  59
PHE A  99
GLY A 100
PRO A  74
GLY A  72
 None
 1.30A 4a6nC-4ifaA:
undetectable		 4a6nC-4ifaA:
26.37
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 PHE A 157
ASN A 154
PRO A 245
GLY A 643
MET A 465
 None
 1.20A 4a6nC-4jc8A:
undetectable		 4a6nC-4jc8A:
20.89
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ASN A 700
ASN A 632
GLY A 701
SER A 698
PRO A 659
 None
 1.24A 4a6nC-4okdA:
undetectable		 4a6nC-4okdA:
21.28
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.
4pmz XYLANASE

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 ASN A 137
GLY A  58
SER A  62
PRO A 101
GLY A 151
 BXP  A 402 (-3.4A)
None
None
None
None
 1.47A 4a6nC-4pmzA:
undetectable		 4a6nC-4pmzA:
19.90
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ASN A1016
ARG A1259
ASN A1062
GLY A 980
GLY A 987
 None
 1.14A 4a6nC-5dotA:
3.8		 4a6nC-5dotA:
13.79
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.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		5 MET A 412
ASN A 572
GLY A 567
PRO A 313
GLY A 316
 None
 1.31A 4a6nC-5fx8A:
undetectable		 4a6nC-5fx8A:
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 309
ASN A 316
GLY A 312
GLY A 266
MET A 381
 PHE  A 309 ( 1.3A)
ASN  A 316 ( 0.6A)
GLY  A 312 ( 0.0A)
GLY  A 266 ( 0.0A)
MET  A 381 ( 0.0A)
 1.13A 4a6nC-5gprA:
undetectable		 4a6nC-5gprA:
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.
5knm LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1

(Homo sapiens) 		PF13895
(Ig_2) 		5 ASN D 146
ASN D 180
GLY D 130
SER D 132
GLY D  71
 None
 0.90A 4a6nC-5knmD:
undetectable		 4a6nC-5knmD:
19.42
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.
5lb8 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		5 ASN A 285
GLY A 283
SER A 280
PRO A 311
GLY A 262
 None
 1.32A 4a6nC-5lb8A:
undetectable		 4a6nC-5lb8A:
20.11
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.
5lw3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 5 GLN A 180
ARG A 134
ASN A 135
GLY A 183
GLY A 131
 None
 1.34A 4a6nC-5lw3A:
undetectable		 4a6nC-5lw3A:
22.57
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 GLN A  56
ARG A 322
ASN A 297
GLY A 440
GLY A 289
 None
 1.34A 4a6nC-5xgvA:
26.9		 4a6nC-5xgvA:
14.42
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 GLN C3564
ARG C3696
ASN C3697
GLY C3565
MET C3796
 None
 1.44A 4a6nC-5y3rC:
undetectable		 4a6nC-5y3rC:
7.14
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 390
 None
None
None
None
GOL  A 706 (-3.3A)
 1.12A 4a6nC-5zl9A:
undetectable		 4a6nC-5zl9A:
12.43
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.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 5 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.38A 4a6nC-6apgA:
undetectable		 4a6nC-6apgA:
12.34