SIMILAR PATTERNS OF AMINO ACIDS FOR 3KEE_D_30BD500_2

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 PHE A  43
TYR A  56
VAL A 132
LEU A 135
 None
 0.43A 3keeD-1cu1A:
32.3		 3keeD-1cu1A:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 PHE A  43
TYR A  56
VAL A 132
LEU A 135
 None
 0.59A 3keeD-1ns3A:
32.6		 3keeD-1ns3A:
96.26
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.
1sva SIMIAN VIRUS 40

(Macaca mulatta
polyomavirus 1) 		PF00718
(Polyoma_coat) 		4 PHE 1 149
TYR 1 220
VAL 1 122
LEU 1 282
 None
 1.23A 3keeD-1sva1:
0.0		 3keeD-1sva1:
19.18
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.
1tqj RIBULOSE-PHOSPHATE
3-EPIMERASE

(Synechocystis
sp.) 		PF00834
(Ribul_P_3_epim) 		4 PHE A 127
TYR A 130
VAL A 178
LEU A 139
 None
 1.33A 3keeD-1tqjA:
0.0		 3keeD-1tqjA:
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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 PHE A1007
TYR A1108
VAL A 969
LEU A 968
 None
 1.27A 3keeD-1ux6A:
0.0		 3keeD-1ux6A:
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.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 PHE A 192
TYR A 169
VAL A 220
LEU A 223
 None
 1.38A 3keeD-2pkgA:
0.0		 3keeD-2pkgA:
16.76
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		4 PHE A 664
TYR A 591
VAL A 557
LEU A 623
 None
 1.44A 3keeD-2pqfA:
0.0		 3keeD-2pqfA:
21.33
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 PHE A1279
TYR A1295
VAL A1216
LEU A1246
 None
 1.35A 3keeD-2vdcA:
0.0		 3keeD-2vdcA:
8.36
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.
2x0q ALCALIGIN
BIOSYNTHESIS PROTEIN

(Bordetella
bronchiseptica) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 PHE A 355
TYR A 242
VAL A 299
LEU A 377
 None
 1.20A 3keeD-2x0qA:
0.2		 3keeD-2x0qA:
14.03
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.
3a57 THERMOSTABLE DIRECT
HEMOLYSIN 2

(Vibrio
parahaemolyticus) 		PF03347
(TDH) 		4 PHE A  38
TYR A  49
VAL A 137
LEU A 148
 None
 1.48A 3keeD-3a57A:
undetectable		 3keeD-3a57A:
20.81
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.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		4 PHE A 296
TYR A  35
VAL A 339
LEU A 328
 FMT  A2062 (-4.3A)
None
None
None
 1.46A 3keeD-3c7oA:
undetectable		 3keeD-3c7oA:
17.42
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.
3cob KINESIN HEAVY
CHAIN-LIKE PROTEIN

(Solanum
tuberosum) 		PF00225
(Kinesin) 		4 PHE A 967
TYR A1203
VAL A1017
LEU A1091
 None
 1.38A 3keeD-3cobA:
undetectable		 3keeD-3cobA:
20.65
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 PHE A 387
TYR A 453
VAL A 417
LEU A 393
 None
 1.43A 3keeD-3iv0A:
undetectable		 3keeD-3iv0A:
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.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 PHE A  89
TYR A  59
VAL A  10
LEU A  23
 None
 1.49A 3keeD-3mwsA:
undetectable		 3keeD-3mwsA:
24.07
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.
3o52 GDP-MANNOSE
PYROPHOSPHATASE NUDK

(Escherichia
coli) 		PF00293
(NUDIX) 		4 PHE A 160
TYR A 183
VAL A 155
LEU A 156
 None
NA  A7113 (-3.9A)
None
None
 1.02A 3keeD-3o52A:
undetectable		 3keeD-3o52A:
19.72
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		4 PHE A  87
TYR A 180
VAL A 154
LEU A 155
 None
 1.29A 3keeD-3pbkA:
undetectable		 3keeD-3pbkA:
16.78
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		4 PHE A 394
TYR A 328
VAL A 256
LEU A 219
 None
 1.32A 3keeD-3qokA:
undetectable		 3keeD-3qokA:
17.27
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.
3qyj ALR0039 PROTEIN

(Nostoc sp. PCC
7120) 		PF00561
(Abhydrolase_1) 		4 PHE A 271
TYR A  34
VAL A 236
LEU A 237
 None
 1.32A 3keeD-3qyjA:
undetectable		 3keeD-3qyjA:
19.24
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.
3shd PHOSPHATASE NUDJ

(Escherichia
coli) 		PF00293
(NUDIX) 		4 PHE A  84
TYR A 136
VAL A  20
LEU A  19
 None
 1.17A 3keeD-3shdA:
undetectable		 3keeD-3shdA:
20.10
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		4 PHE A  50
TYR A 245
VAL A 218
LEU A 215
 None
 1.48A 3keeD-4e1eA:
undetectable		 3keeD-4e1eA:
20.71
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.
4i9c RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE F

(Bacillus
subtilis) 		PF12895
(ANAPC3)
PF13424
(TPR_12) 		4 PHE A 123
TYR A 110
VAL A 134
LEU A 131
 None
 1.24A 3keeD-4i9cA:
undetectable		 3keeD-4i9cA:
16.10
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		4 PHE A 146
TYR A 240
VAL A 169
LEU A 170
 None
 1.22A 3keeD-4j9tA:
undetectable		 3keeD-4j9tA:
18.68
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.
4plj CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		4 PHE A 547
TYR A 480
VAL A 538
LEU A 539
 None
 1.44A 3keeD-4pljA:
undetectable		 3keeD-4pljA:
22.45
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.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		4 PHE A 394
TYR A 328
VAL A 256
LEU A 219
 None
 1.37A 3keeD-4q22A:
undetectable		 3keeD-4q22A:
17.44
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.
4u60 STRUCTURAL PROTEIN
VP1

(Human
polyomavirus 8) 		PF00718
(Polyoma_coat) 		4 PHE A 153
TYR A 226
VAL A 125
LEU A 288
 None
 1.27A 3keeD-4u60A:
undetectable		 3keeD-4u60A:
20.21
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.
4y2o CFA/I FIMBRIAL
SUBUNIT A
(COLONIZATION FACTOR
ANTIGEN SUBUNIT A
PUTATIVE CHAPERONE)
CFA/I FIMBRIAL
SUBUNIT B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1)
no annotation 		4 PHE A  93
TYR A  22
VAL A 116
LEU B 128
 None
 1.47A 3keeD-4y2oA:
undetectable		 3keeD-4y2oA:
21.62
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 PHE A 257
TYR A 470
VAL A 662
LEU A 665
 None
 1.13A 3keeD-5bqnA:
undetectable		 3keeD-5bqnA:
11.29
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.
5d4w PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 PHE A 700
TYR A 398
VAL A 744
LEU A 703
 None
 1.32A 3keeD-5d4wA:
undetectable		 3keeD-5d4wA:
12.32
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.
5drz HIV ANTIBODY F240
LIGHT CHAIN

(Homo sapiens) 		no annotation 4 PHE L  71
TYR L  92
VAL L  55
LEU L  47
 None
 1.17A 3keeD-5drzL:
undetectable		 3keeD-5drzL:
19.83
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.
5es6 LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00551
(Formyl_trans_N) 		4 PHE A 205
TYR A 375
VAL A 348
LEU A 345
 None
 1.44A 3keeD-5es6A:
undetectable		 3keeD-5es6A:
15.04
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.
5es9 LINEAR GRAMICIDIN
SYNTHETASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00551
(Formyl_trans_N)
PF13193
(AMP-binding_C) 		4 PHE A 205
TYR A 375
VAL A 348
LEU A 345
 None
 1.40A 3keeD-5es9A:
undetectable		 3keeD-5es9A:
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.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 PHE A 578
TYR A 660
VAL A 618
LEU A 626
 None
 1.36A 3keeD-5gxuA:
undetectable		 3keeD-5gxuA:
13.75
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.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE

(Weissella
cibaria) 		PF04616
(Glyco_hydro_43) 		4 PHE A 267
TYR A 280
VAL A  86
LEU A  77
 None
 1.46A 3keeD-5m8eA:
undetectable		 3keeD-5m8eA:
16.43
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.
5mv9 UNCONVENTIONAL
MYOSIN-VIIA

(Homo sapiens) 		PF00373
(FERM_M)
PF00784
(MyTH4) 		4 PHE A2085
TYR A2052
VAL A2034
LEU A2037
 None
 1.44A 3keeD-5mv9A:
undetectable		 3keeD-5mv9A:
16.32
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.
5ola TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 PHE A 350
TYR A 229
VAL A 300
LEU A 345
 None
 1.33A 3keeD-5olaA:
undetectable		 3keeD-5olaA:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 PHE A 546
TYR A 385
VAL A 587
LEU A 551
 None
 1.11A 3keeD-6etzA:
undetectable		 3keeD-6etzA:
17.89
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.
6f1j -

(-) 		no annotation 4 PHE A 107
TYR A 119
VAL A 282
LEU A 281
 None
 1.47A 3keeD-6f1jA:
undetectable		 3keeD-6f1jA:
undetectable