SIMILAR PATTERNS OF AMINO ACIDS FOR 1ICV_A_NIOA704_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.
1g33 PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		4 SER A 103
PHE A  47
GLU A 100
GLY A  98
 None
None
None
SO4  A 200 (-3.0A)
 1.26A 1icvA-1g33A:
undetectable
1icvB-1g33A:
undetectable		 1icvA-1g33A:
15.67
1icvB-1g33A:
15.67
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.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))

(Desulfovibrio
vulgaris) 		PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10) 		4 SER L 198
PHE L 372
GLU L 159
GLY L 157
 None
 1.33A 1icvA-1hfeL:
0.0
1icvB-1hfeL:
0.0		 1icvA-1hfeL:
20.24
1icvB-1hfeL:
20.24
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 SER A 140
PHE A 158
GLU A 142
GLY A 146
 NAD  A1300 (-4.3A)
None
None
None
 1.22A 1icvA-1nffA:
0.0
1icvB-1nffA:
0.0		 1icvA-1nffA:
22.26
1icvB-1nffA:
22.26
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.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		4 SER A 162
PHE A 228
GLU A 361
GLY A 360
 None
 1.14A 1icvA-1q1lA:
0.9
1icvB-1q1lA:
0.3		 1icvA-1q1lA:
19.70
1icvB-1q1lA:
19.70
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.
1ta9 GLYCEROL
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00465
(Fe-ADH) 		4 SER A 235
PHE A 306
GLU A 239
GLY A 310
 K  A1503 (-2.9A)
GOL  A1401 ( 3.8A)
None
None
 1.36A 1icvA-1ta9A:
0.0
1icvB-1ta9A:
0.0		 1icvA-1ta9A:
17.00
1icvB-1ta9A:
17.00
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.
1wp9 ATP-DEPENDENT RNA
HELICASE, PUTATIVE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 SER A 453
PHE A 367
GLU A 430
GLY A 432
 None
 1.42A 1icvA-1wp9A:
0.2
1icvB-1wp9A:
0.0		 1icvA-1wp9A:
19.59
1icvB-1wp9A:
19.59
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.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		4 SER A  80
PHE A  49
GLU A  48
GLY A  75
 None
 1.46A 1icvA-2b6nA:
0.0
1icvB-2b6nA:
0.0		 1icvA-2b6nA:
20.75
1icvB-2b6nA:
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2

(Daboia
siamensis) 		PF00059
(Lectin_C) 		4 SER C 110
PHE B  99
GLU B  98
GLY B  95
 None
 1.10A 1icvA-2e3xC:
0.0
1icvB-2e3xC:
0.0		 1icvA-2e3xC:
22.39
1icvB-2e3xC:
22.39
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		4 SER A 194
PHE A 132
GLU A 130
GLY A 129
 None
 1.44A 1icvA-2ivdA:
0.0
1icvB-2ivdA:
0.0		 1icvA-2ivdA:
19.21
1icvB-2ivdA:
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11) 		4 SER A 426
PHE B 281
GLU B 286
GLY B 282
 None
None
None
GOL  B1355 ( 4.9A)
 1.45A 1icvA-2ivfA:
undetectable
1icvB-2ivfA:
undetectable		 1icvA-2ivfA:
13.27
1icvB-2ivfA:
13.27
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.
2vac TWINFILIN-2

(Homo sapiens) 		PF00241
(Cofilin_ADF) 		4 SER A  75
PHE A  81
GLU A  82
GLY A  80
 None
None
ZN  A1140 (-2.2A)
None
 1.42A 1icvA-2vacA:
undetectable
1icvB-2vacA:
undetectable		 1icvA-2vacA:
19.91
1icvB-2vacA:
19.91
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.
2x1c ACYL-COENZYME

(Penicillium
chrysogenum) 		PF03417
(AAT) 		4 SER A 195
PHE A 222
GLU A 220
GLY A 216
 None
 1.32A 1icvA-2x1cA:
undetectable
1icvB-2x1cA:
undetectable		 1icvA-2x1cA:
20.80
1icvB-2x1cA:
20.80
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		4 SER A 357
PHE A 374
GLU A 375
GLY A 376
 None
None
None
GOL  A 505 ( 4.1A)
 1.49A 1icvA-3cz8A:
undetectable
1icvB-3cz8A:
undetectable		 1icvA-3cz8A:
20.25
1icvB-3cz8A:
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.
3g8z PROTEIN OF UNKNOWN
FUNCTION WITH
CYSTATIN-LIKE FOLD

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		4 SER A  68
PHE A  86
GLU A  85
GLY A  99
 None
 1.29A 1icvA-3g8zA:
undetectable
1icvB-3g8zA:
undetectable		 1icvA-3g8zA:
20.18
1icvB-3g8zA:
20.18
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.
3hy8 PYRIDOXINE-5'-PHOSPH
ATE OXIDASE

(Homo sapiens) 		PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C) 		4 SER A  55
PHE A 232
GLU A 251
GLY A 250
 PO4  A 380 (-3.0A)
None
PO4  A 380 (-2.7A)
None
 1.35A 1icvA-3hy8A:
undetectable
1icvB-3hy8A:
undetectable		 1icvA-3hy8A:
22.97
1icvB-3hy8A:
22.97
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.
3qz6 HPCH/HPAI ALDOLASE

(Desulfitobacterium
hafniense) 		PF03328
(HpcH_HpaI) 		4 SER A  65
PHE A 142
GLU A  87
GLY A  88
 None
 1.30A 1icvA-3qz6A:
undetectable
1icvB-3qz6A:
undetectable		 1icvA-3qz6A:
23.11
1icvB-3qz6A:
23.11
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.
3ttg PUTATIVE
AMINOMETHYLTRANSFERA
SE

(Leptospirillum
rubarum) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 SER A 214
PHE A 220
GLU A 215
GLY A 305
 None
 1.48A 1icvA-3ttgA:
undetectable
1icvB-3ttgA:
undetectable		 1icvA-3ttgA:
22.16
1icvB-3ttgA:
22.16
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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		4 SER A 491
PHE A 458
GLU A 447
GLY A 445
 None
 1.27A 1icvA-4b0sA:
1.1
1icvB-4b0sA:
undetectable		 1icvA-4b0sA:
18.43
1icvB-4b0sA:
18.43
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 SER A 412
PHE A 481
GLU A 478
GLY A 477
 None
 1.38A 1icvA-4c4aA:
undetectable
1icvB-4c4aA:
undetectable		 1icvA-4c4aA:
15.46
1icvB-4c4aA:
15.46
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.
4hfn ALLYL ALCOHOL
DEHYDROGENASE

(Nicotiana
tabacum) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 SER A 160
PHE A 228
GLU A 229
GLY A 253
 None
None
None
NAP  A 400 (-3.1A)
 1.35A 1icvA-4hfnA:
undetectable
1icvB-4hfnA:
undetectable		 1icvA-4hfnA:
22.49
1icvB-4hfnA:
22.49
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 SER A 406
PHE A  42
GLU A  40
GLY A  41
 None
 1.45A 1icvA-4i7iA:
undetectable
1icvB-4i7iA:
undetectable		 1icvA-4i7iA:
17.80
1icvB-4i7iA:
17.80
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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		4 SER A 174
PHE A 245
GLU A 178
GLY A 249
 NA  A1004 (-3.1A)
GOL  A1002 (-3.6A)
None
None
 1.41A 1icvA-4mcaA:
undetectable
1icvB-4mcaA:
undetectable		 1icvA-4mcaA:
21.01
1icvB-4mcaA:
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.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		4 SER A 152
PHE A  14
GLU A 154
GLY A  13
 None
 1.41A 1icvA-4mjkA:
undetectable
1icvB-4mjkA:
undetectable		 1icvA-4mjkA:
22.46
1icvB-4mjkA:
22.46
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.
4n5c CARGO-TRANSPORT
PROTEIN YPP1

(Saccharomyces
cerevisiae) 		no annotation 4 SER A 192
PHE A 188
GLU A 189
GLY A 185
 None
 1.44A 1icvA-4n5cA:
undetectable
1icvB-4n5cA:
undetectable		 1icvA-4n5cA:
14.25
1icvB-4n5cA:
14.25
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.
4r0v FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		4 SER A 189
PHE A 411
GLU A 144
GLY A 142
 None
 1.35A 1icvA-4r0vA:
undetectable
1icvB-4r0vA:
undetectable		 1icvA-4r0vA:
17.53
1icvB-4r0vA:
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.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 SER A 216
PHE A 132
GLU A 225
GLY A 131
 None
 1.36A 1icvA-4rl6A:
undetectable
1icvB-4rl6A:
undetectable		 1icvA-4rl6A:
21.93
1icvB-4rl6A:
21.93
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		4 SER A 136
PHE A 143
GLU A 140
GLY A 142
 None
 1.44A 1icvA-4rnlA:
undetectable
1icvB-4rnlA:
undetectable		 1icvA-4rnlA:
22.35
1icvB-4rnlA:
22.35
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.
4wgg DOUBLE BOND
REDUCTASE

(Zingiber
officinale) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 SER A 167
PHE A 235
GLU A 236
GLY A 260
 None
None
None
NAP  A 400 (-3.5A)
 1.34A 1icvA-4wggA:
undetectable
1icvB-4wggA:
undetectable		 1icvA-4wggA:
21.10
1icvB-4wggA:
21.10
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		4 SER A 230
PHE A 430
GLU A 336
GLY A 447
 None
 1.40A 1icvA-5fv4A:
undetectable
1icvB-5fv4A:
undetectable		 1icvA-5fv4A:
17.49
1icvB-5fv4A:
17.49
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		4 SER A 279
PHE A 299
GLU A 280
GLY A 114
 None
 1.39A 1icvA-5hh9A:
undetectable
1icvB-5hh9A:
undetectable		 1icvA-5hh9A:
20.36
1icvB-5hh9A:
20.36
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 4 SER A 479
PHE A 589
GLU A 477
GLY A 475
 None
 1.21A 1icvA-5m41A:
undetectable
1icvB-5m41A:
undetectable		 1icvA-5m41A:
19.02
1icvB-5m41A:
19.02
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.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		4 SER A 107
PHE A 181
GLU A 142
GLY A 141
 None
 1.42A 1icvA-5u4nA:
undetectable
1icvB-5u4nA:
undetectable		 1icvA-5u4nA:
20.11
1icvB-5u4nA:
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.
5u7s FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Acinetobacter
baumannii) 		PF01116
(F_bP_aldolase) 		4 SER A 107
PHE A 181
GLU A 142
GLY A 141
 None
 1.36A 1icvA-5u7sA:
undetectable
1icvB-5u7sA:
undetectable		 1icvA-5u7sA:
21.17
1icvB-5u7sA:
21.17
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.
5vn5 2,2',3-TRIHYDROXY-3'
-METHOXY-5,5'-DICARB
OXYBIPHENYL
META-CLEAVAGE
COMPOUND HYDROLASE

(Sphingobium sp.
SYK-6) 		PF04909
(Amidohydro_2) 		4 SER A 239
PHE A 246
GLU A 236
GLY A 233
 None
 1.40A 1icvA-5vn5A:
undetectable
1icvB-5vn5A:
undetectable		 1icvA-5vn5A:
23.08
1icvB-5vn5A:
23.08
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		4 SER A 174
PHE A 245
GLU A 178
GLY A 249
 None
 1.38A 1icvA-5xn8A:
undetectable
1icvB-5xn8A:
undetectable		 1icvA-5xn8A:
21.12
1icvB-5xn8A:
21.12