SIMILAR PATTERNS OF AMINO ACIDS FOR 4OLT_B_GCSB304_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.
1ae7 PHOSPHOLIPASE A2

(Notechis
scutatus) 		PF00068
(Phospholip_A2_1) 		4 ILE A   9
THR A  19
HIS A  48
TYR A  73
 None
 1.29A 4oltB-1ae7A:
undetectable		 4oltB-1ae7A:
17.62
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.
1fbt FRUCTOSE-2,6-BISPHOS
PHATASE

(Rattus
norvegicus) 		PF00300
(His_Phos_1) 		4 TYR A  32
ILE A 140
THR A  61
HIS A 142
 None
None
None
PO4  A 300 (-3.8A)
 1.22A 4oltB-1fbtA:
0.0		 4oltB-1fbtA:
23.19
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 TYR A 161
ILE A 184
THR A  95
TYR A 339
 None
 1.43A 4oltB-1lnlA:
0.0		 4oltB-1lnlA:
18.64
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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		4 TYR A  29
ILE A 257
THR A 149
TYR A   7
 None
 1.43A 4oltB-1nj8A:
0.0		 4oltB-1nj8A:
21.27
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 TYR A 336
ILE A 211
THR A 215
TYR A 238
 None
 1.31A 4oltB-1sb8A:
0.0		 4oltB-1sb8A:
26.28
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.
1wox HEME OXYGENASE 2

(Synechocystis
sp. PCC 6803) 		PF01126
(Heme_oxygenase) 		4 TYR A 156
ILE A 141
THR A 153
TYR A  24
 None
 1.29A 4oltB-1woxA:
0.0		 4oltB-1woxA:
20.74
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		4 TYR A 350
ILE A 163
THR A 217
HIS A 147
 None
 1.44A 4oltB-1x7fA:
0.0		 4oltB-1x7fA:
21.19
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 TYR A 228
ILE A 183
THR A 229
TYR A 433
 None
 1.07A 4oltB-2f43A:
0.0		 4oltB-2f43A:
22.20
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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		4 TYR A 325
ILE A 395
THR A 398
TYR A 390
 None
 1.39A 4oltB-2xlrA:
0.0		 4oltB-2xlrA:
19.78
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 TYR A 399
THR A 397
HIS A 291
TYR A 466
 None
 1.40A 4oltB-3b5qA:
undetectable		 4oltB-3b5qA:
20.17
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TYR A  50
THR A 349
HIS A  44
TYR A 239
 None
 1.49A 4oltB-3bgaA:
undetectable		 4oltB-3bgaA:
13.60
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TYR A  27
THR A 325
HIS A  21
TYR A 215
 None
 1.46A 4oltB-3decA:
undetectable		 4oltB-3decA:
12.91
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.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		4 TYR A 261
ILE A 271
THR A 264
TYR A 409
 None
 1.47A 4oltB-3k9tA:
undetectable		 4oltB-3k9tA:
18.22
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.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE

(Coxiella
burnetii) 		PF01041
(DegT_DnrJ_EryC1) 		4 TYR A   5
ILE A 284
THR A 342
HIS A 280
 EDO  A 376 (-3.5A)
None
None
None
 1.40A 4oltB-3uwcA:
undetectable		 4oltB-3uwcA:
18.70
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 673
ILE A 666
THR A 667
TYR A 701
 TYR  A 673 ( 1.3A)
ILE  A 666 ( 0.7A)
THR  A 667 ( 0.8A)
TYR  A 701 ( 1.3A)
 1.36A 4oltB-4flxA:
undetectable		 4oltB-4flxA:
15.07
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.
4l9r INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A 164
ILE A 227
THR A 173
TYR A 196
 None
 1.31A 4oltB-4l9rA:
undetectable		 4oltB-4l9rA:
20.59
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 TYR A 408
ILE A 577
THR A 406
HIS A 596
 None
 1.37A 4oltB-4qi7A:
undetectable		 4oltB-4qi7A:
15.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qwp CHITOSANASE

(Pseudomonas sp.
A-01) 		PF01374
(Glyco_hydro_46) 		5 TYR A  37
ILE A  41
THR A  48
HIS A 203
TYR A 233
 GCS  A 303 (-4.7A)
GCS  A 303 (-4.2A)
GCS  A 303 ( 4.2A)
GCS  A 303 ( 4.9A)
GCS  A 304 (-3.5A)
 0.13A 4oltB-4qwpA:
42.7		 4oltB-4qwpA:
99.60
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.
4rg6 CELL DIVISION CYCLE
PROTEIN 27 HOMOLOG

(Homo sapiens) 		PF00515
(TPR_1)
PF12895
(ANAPC3)
PF13181
(TPR_8) 		4 ILE A 544
THR A 547
HIS A 640
TYR A 485
 None
 1.09A 4oltB-4rg6A:
undetectable		 4oltB-4rg6A:
19.21
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.
4ui0 RGM DOMAIN FAMILY
MEMBER B

(Homo sapiens) 		PF06535
(RGM_N) 		4 TYR C  88
ILE C  56
THR C  92
HIS C 106
 None
 1.03A 4oltB-4ui0C:
undetectable		 4oltB-4ui0C:
16.53
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.
4ui2 REPULSIVE GUIDANCE
MOLECULE C, RGMC,
HEMOJUVELIN

(Homo sapiens) 		PF06535
(RGM_N) 		4 TYR C  88
ILE C  56
THR C  92
HIS C 106
 None
 1.08A 4oltB-4ui2C:
undetectable		 4oltB-4ui2C:
20.82
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.
4xdk POTASSIUM CHANNEL
SUBFAMILY K MEMBER
10

(Homo sapiens) 		PF07885
(Ion_trans_2) 		4 TYR A 175
ILE A 309
THR A 278
TYR A 301
 None
 1.22A 4oltB-4xdkA:
undetectable		 4oltB-4xdkA:
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 TYR A 125
THR A 552
HIS A 505
TYR A 337
 None
None
LGC  A 602 (-3.7A)
None
 1.43A 4oltB-4ynuA:
undetectable		 4oltB-4ynuA:
17.28
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.
5awf FES CLUSTER ASSEMBLY
PROTEIN SUFB

(Escherichia
coli) 		PF01458
(UPF0051) 		4 TYR A 386
ILE A 372
THR A 359
HIS A 363
 None
 1.25A 4oltB-5awfA:
undetectable		 4oltB-5awfA:
21.41
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.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ILE A 399
THR A 401
HIS A 174
TYR A 113
 None
None
FAD  A 603 ( 3.5A)
FAD  A 603 (-4.9A)
 1.22A 4oltB-5d79A:
undetectable		 4oltB-5d79A:
19.48
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 TYR A 822
ILE A 858
HIS A1080
TYR A 915
 None
 1.39A 4oltB-5ehkA:
undetectable		 4oltB-5ehkA:
13.28
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		4 TYR A  64
ILE A 420
THR A 423
TYR A 332
 None
 1.41A 4oltB-5hdmA:
undetectable		 4oltB-5hdmA:
20.05
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		4 ILE A 614
THR A 620
HIS A 566
TYR A  89
 None
 1.13A 4oltB-5j44A:
undetectable		 4oltB-5j44A:
15.05
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		4 TYR A 576
ILE A 670
THR A 515
TYR A 609
 None
 1.42A 4oltB-5k04A:
undetectable		 4oltB-5k04A:
15.91
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.
5y4f ANKYRIN-2

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		4 ILE A 732
THR A 757
HIS A 699
TYR A 737
 None
 1.08A 4oltB-5y4fA:
undetectable		 4oltB-5y4fA:
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 TYR A 707
ILE A 785
THR A 787
TYR A 559
 None
 1.50A 4oltB-6cg0A:
0.6		 4oltB-6cg0A:
12.15
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 537
ILE A 394
THR A 530
TYR A 346
 None
 1.26A 4oltB-6f91A:
undetectable		 4oltB-6f91A:
17.00