SIMILAR PATTERNS OF AMINO ACIDS FOR 5CCM_A_SAMA504

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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 GLY A 301
ASN A 296
TYR A 255
TYR A 295
PHE A 345
 None
 1.26A 5ccmA-1bf2A:
undetectable		 5ccmA-1bf2A:
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.
1gbg (1,3-1,4)-BETA-D-GLU
CAN 4
GLUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00722
(Glyco_hydro_16) 		5 ASN A  12
GLU A   8
ASN A  64
HIS A 205
TYR A 206
 None
 1.19A 5ccmA-1gbgA:
undetectable		 5ccmA-1gbgA:
16.01
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.
1mt6 SET9

(Homo sapiens) 		PF00856
(SET)
PF02493
(MORN) 		5 GLY A 227
ASN A 265
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 ( 4.0A)
SAH  A   1 (-3.6A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.4A)
 0.38A 5ccmA-1mt6A:
7.3		 5ccmA-1mt6A:
20.91
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.
2atf CYSTEINE DIOXYGENASE
TYPE I

(Mus musculus) 		PF05995
(CDO_I) 		5 GLY A 100
ASN A 101
GLU A 149
ASN A 144
HIS A  81
 None
 1.14A 5ccmA-2atfA:
undetectable		 5ccmA-2atfA:
17.32
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT
METHANOL
DEHYDROGENASE SMALL
SUBUNIT

(Hyphomicrobium
denitrificans;
Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		5 GLY A 131
ASN A 149
TYR A 187
GLU B  47
TYR B  66
 None
 1.42A 5ccmA-2d0vA:
undetectable		 5ccmA-2d0vA:
18.95
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		6 GLY A  81
ASN A 242
HIS A 243
TYR A 287
TYR A 300
PHE A 302
 SAM  A 801 (-3.7A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.55A 5ccmA-2h21A:
9.5		 5ccmA-2h21A:
23.53
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		5 GLY A 472
ASN A 473
ASN A 467
TYR A 393
TYR A 465
 None
 1.37A 5ccmA-2iwbA:
undetectable		 5ccmA-2iwbA:
18.74
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		5 ARG A 948
GLY A 947
ASN A1014
ASN A 928
TYR A 591
 None
 1.07A 5ccmA-2ya1A:
undetectable		 5ccmA-2ya1A:
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 493
GLY A 492
ASN A 559
ASN A 473
TYR A 136
 None
 0.99A 5ccmA-2ya2A:
0.0		 5ccmA-2ya2A:
20.25
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.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 227
ASN A 265
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 ( 4.0A)
SAH  A   1 (-4.0A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
 0.35A 5ccmA-3cboA:
6.9		 5ccmA-3cboA:
19.77
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 171
ASN A  69
TYR A  80
ASN A 333
TYR A 360
 None
 1.39A 5ccmA-3cmgA:
undetectable		 5ccmA-3cmgA:
20.53
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 GLY A 169
ASN A 170
TYR A 288
ASN A 290
TYR A 351
 FAD  A 600 (-3.5A)
None
None
None
None
 1.30A 5ccmA-3e1tA:
undetectable		 5ccmA-3e1tA:
22.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  16
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 None
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 1.18A 5ccmA-3n71A:
38.1		 5ccmA-3n71A:
30.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		7 GLY A  18
ASN A 180
ASN A 205
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 ( 4.2A)
SFG  A 491 (-4.3A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.45A 5ccmA-3n71A:
38.1		 5ccmA-3n71A:
30.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
ASN A 180
HIS A 206
TYR A 252
TYR A 270
 None
SFG  A 491 (-4.3A)
None
SFG  A 491 (-4.8A)
None
 1.09A 5ccmA-3n71A:
38.1		 5ccmA-3n71A:
30.33
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		6 GLY A  74
ASN A 251
HIS A 252
TYR A 285
TYR A 297
PHE A 299
 SAM  A 484 (-3.4A)
SAM  A 484 (-3.1A)
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 0.52A 5ccmA-3rc0A:
12.2		 5ccmA-3rc0A:
23.33
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.46A 5ccmA-3smtA:
12.1		 5ccmA-3smtA:
24.69
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		5 GLY A 376
ASN A 375
GLU A 373
ASN A 492
HIS A 383
 None
HEC  A1008 ( 4.0A)
None
None
HEC  A1007 ( 3.1A)
 1.37A 5ccmA-3ttbA:
undetectable		 5ccmA-3ttbA:
20.00
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.
3wmy EXTRACELLULAR
EXO-ALPHA-L-ARABINOF
URANOSIDASE

(Streptomyces
coelicolor) 		PF03664
(Glyco_hydro_62) 		5 ARG A 386
GLY A 382
ASN A 384
ASN A 416
PHE A 388
 None
 1.41A 5ccmA-3wmyA:
undetectable		 5ccmA-3wmyA:
20.93
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.
4n2r ALPHA-L-ARABINOFURAN
OSIDASE UMABF62A

(Ustilago maydis) 		PF03664
(Glyco_hydro_62) 		5 ARG A 220
GLY A 216
ASN A 218
ASN A 250
PHE A 222
 None
 1.50A 5ccmA-4n2rA:
undetectable		 5ccmA-4n2rA:
20.51
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.
4nf2 ORNITHINE
CARBAMOYLTRANSFERASE

(Bacillus
anthracis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ARG A  59
GLY A 295
ASN A 296
GLU A 292
HIS A 268
 CP  A 401 (-3.6A)
None
None
None
None
 1.43A 5ccmA-4nf2A:
undetectable		 5ccmA-4nf2A:
22.61
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.
4ony EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 5

(Brucella
melitensis) 		PF00496
(SBP_bac_5) 		5 GLY A 203
ASN A 204
ASN A  59
TYR A  84
PHE A  61
 None
 1.42A 5ccmA-4onyA:
undetectable		 5ccmA-4onyA:
21.05
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.
4ovx XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

(Planctopirus
limnophila) 		PF01261
(AP_endonuc_2) 		5 GLY A 122
GLU A 121
ASN A  86
ASN A 157
HIS A 194
 None
None
None
None
EDO  A 401 (-4.0A)
 1.33A 5ccmA-4ovxA:
undetectable		 5ccmA-4ovxA:
20.79
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.
4pu5 TOXIN-ANTITOXIN
SYSTEM TOXIN HIPA
FAMILY

(Shewanella
oneidensis) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		5 ASN A 284
GLU A 322
ASN A 202
TYR A 312
PHE A 314
 None
 1.49A 5ccmA-4pu5A:
undetectable		 5ccmA-4pu5A:
22.36
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.
4q69 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 ARG A  56
GLY A  54
ASN A  51
ASN A 259
TYR A 198
 None
 1.29A 5ccmA-4q69A:
5.3		 5ccmA-4q69A:
21.65
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.
4q69 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 ARG A  56
GLY A  54
ASN A 259
ASN A  46
TYR A 198
 None
 1.06A 5ccmA-4q69A:
5.3		 5ccmA-4q69A:
21.65
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 GLY B 260
GLU B 503
ASN B 506
ASN B 502
HIS B 467
 None
None
None
None
CLA  B1231 (-3.9A)
 1.39A 5ccmA-4rkuB:
1.0		 5ccmA-4rkuB:
18.77
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.39A 5ccmA-4rkuB:
1.0		 5ccmA-4rkuB:
18.77
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT H
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT M

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF01398
(JAB)
PF01399
(PCI) 		5 ASN M 355
TYR M 351
GLU H 349
ASN H 352
TYR H 350
 None
 1.23A 5ccmA-5a5tM:
4.4		 5ccmA-5a5tM:
22.76
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 ARG A 262
GLY A 261
ASN A  46
ASN A 199
TYR A  75
 None
 1.41A 5ccmA-5iaiA:
undetectable		 5ccmA-5iaiA:
19.75
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.
5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ARG A 300
GLY A 301
ASN A 302
ASN A 336
TYR A 328
 None
 1.19A 5ccmA-5kc8A:
undetectable		 5ccmA-5kc8A:
23.71
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		5 ARG A 786
GLY A 787
ASN A 788
ASN A 822
TYR A 814
 None
 1.22A 5ccmA-5kcaA:
undetectable		 5ccmA-5kcaA:
18.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		8 GLY A  18
GLU A 135
ASN A 182
ASN A 206
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 SAM  A 501 ( 4.1A)
SAM  A 501 (-3.3A)
SAM  A 501 ( 3.8A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 0.57A 5ccmA-5kjmA:
43.3		 5ccmA-5kjmA:
32.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
ASN A 182
HIS A 207
TYR A 240
TYR A 258
 None
SAM  A 501 ( 3.8A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
 1.16A 5ccmA-5kjmA:
43.3		 5ccmA-5kjmA:
32.66
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ARG A 300
GLY A 301
ASN A 302
ASN A 336
TYR A 328
 None
 1.14A 5ccmA-5l2eA:
undetectable		 5ccmA-5l2eA:
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.
5no7 LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Trametes
cinnabarina) 		no annotation 5 GLY A  70
ASN A  68
ASN A  76
ASN A  13
HIS A   6
 None
None
NAG  A 304 (-1.8A)
NAG  A 301 (-1.9A)
None
 1.33A 5ccmA-5no7A:
undetectable		 5ccmA-5no7A:
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.
5nqf APICAL MEMBRANE
ANTIGEN 1

(Plasmodium
falciparum) 		PF02430
(AMA-1) 		5 GLY A 222
ASN A 223
TYR A 202
HIS A 248
TYR A 240
 GLY  A 222 ( 0.0A)
ASN  A 223 ( 0.6A)
TYR  A 202 ( 1.3A)
HIS  A 248 ( 1.0A)
TYR  A 240 ( 1.3A)
 1.31A 5ccmA-5nqfA:
undetectable		 5ccmA-5nqfA:
20.54
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.
5xxg -

(-) 		no annotation 12 ARG A  14
GLY A  15
ASN A  16
TYR A 124
GLU A 130
ASN A 132
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.26A 5ccmA-5xxgA:
64.1		 5ccmA-5xxgA:
undetectable