SIMILAR PATTERNS OF AMINO ACIDS FOR 2X45_B_HSMB1161

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.
1eih EOTAXIN-2

(Homo sapiens) 		PF00048
(IL8) 		4 VAL A  56
TYR A  59
VAL A  21
SER A  47
 None
 1.30A 2x45B-1eihA:
0.1		 2x45B-1eihA:
15.44
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.
1rmg RHAMNOGALACTURONASE
A

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 VAL A 241
TYR A 238
VAL A 200
SER A 219
 None
 1.33A 2x45B-1rmgA:
0.0		 2x45B-1rmgA:
17.31
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.
1vl4 PMBA-RELATED PROTEIN

(Thermotoga
maritima) 		PF01523
(PmbA_TldD) 		4 VAL A 225
TYR A 223
VAL A 432
SER A 397
 None
 1.44A 2x45B-1vl4A:
0.0		 2x45B-1vl4A:
14.71
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.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		4 VAL A 324
TYR A 430
VAL A 423
SER A 417
 None
 1.40A 2x45B-2bdeA:
undetectable		 2x45B-2bdeA:
13.57
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.
2exu TRANSCRIPTION
INITIATION PROTEIN
SPT4/SPT5

(Saccharomyces
cerevisiae) 		PF03439
(Spt5-NGN)
PF06093
(Spt4) 		4 VAL A  50
TYR A  74
VAL A  66
SER A  58
 None
 1.05A 2x45B-2exuA:
0.0		 2x45B-2exuA:
21.51
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		4 VAL A 241
TYR A 253
VAL A 182
SER A 172
 None
 1.24A 2x45B-2vc2A:
0.0		 2x45B-2vc2A:
14.98
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) 		4 VAL A 528
TYR A 527
VAL A 424
SER A 389
 None
 1.25A 2x45B-2wk2A:
0.0		 2x45B-2wk2A:
13.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x46 ALLERGEN ARG R 1

(Argas reflexus) 		PF02098
(His_binding) 		4 VAL A  53
TYR A  69
VAL A  94
SER A  99
 TRS  A1160 (-4.1A)
None
None
None
 0.74A 2x45B-2x46A:
29.6		 2x45B-2x46A:
99.31
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 VAL A 462
TYR A 131
VAL A 168
SER A 163
 None
None
PE5  A 558 ( 4.8A)
None
 1.40A 2x45B-2yeqA:
0.0		 2x45B-2yeqA:
15.55
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 VAL A 529
TYR A 467
VAL A 554
SER A 440
 None
 1.14A 2x45B-3abzA:
undetectable		 2x45B-3abzA:
10.43
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.
3b8o LIPOPOLYSACCHARIDE
BIOSYNTHESIS PROTEIN
WZZE

(Escherichia
coli) 		no annotation 4 VAL A 180
TYR A 179
VAL A 162
SER A  58
 None
 1.42A 2x45B-3b8oA:
undetectable		 2x45B-3b8oA:
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.
3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B

(Bacillus cereus) 		PF01613
(Flavin_Reduct) 		4 VAL A  59
TYR A  44
VAL A  30
SER A  86
 None
CL  A 605 (-4.6A)
None
None
 1.49A 2x45B-3bpkA:
undetectable		 2x45B-3bpkA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu1 LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		4 VAL A  37
TYR A  53
VAL A  78
SER A  83
 None
None
None
HSM  A 301 ( 4.0A)
 0.33A 2x45B-3bu1A:
25.9		 2x45B-3bu1A:
48.30
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.
3cpq 50S RIBOSOMAL
PROTEIN L30E

(Methanocaldococcus
jannaschii) 		PF01248
(Ribosomal_L7Ae) 		4 VAL A  42
TYR A  67
VAL A   9
SER A  97
 None
 1.15A 2x45B-3cpqA:
undetectable		 2x45B-3cpqA:
20.95
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.
3m9q PROTEIN
MALE-SPECIFIC
LETHAL-3

(Drosophila
melanogaster) 		no annotation 4 VAL A  67
TYR A  52
VAL A  35
SER A  33
 None
 1.30A 2x45B-3m9qA:
undetectable		 2x45B-3m9qA:
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.
3saj GLUTAMATE RECEPTOR 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 VAL A 232
TYR A 210
VAL A 199
SER A 228
 None
 1.47A 2x45B-3sajA:
undetectable		 2x45B-3sajA:
15.09
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 VAL A 523
TYR A 551
VAL A 515
SER A 586
 None
 1.39A 2x45B-3w5nA:
undetectable		 2x45B-3w5nA:
9.11
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.
4hf5 FAB 8F8 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H 100
TYR H 100
VAL H  33
SER H  55
 None
 1.32A 2x45B-4hf5H:
undetectable		 2x45B-4hf5H:
21.70
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.
5bul FLAVIN-DEPENDENT
HALOGENASE TRIPLE
MUTANT

(Streptomyces) 		PF04820
(Trp_halogenase) 		4 VAL A 124
TYR A 139
VAL A 148
SER A 150
 FAD  A 501 (-4.0A)
None
None
None
 1.39A 2x45B-5bulA:
undetectable		 2x45B-5bulA:
15.89
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 VAL A 517
TYR A 516
VAL A 415
SER A 380
 None
 1.22A 2x45B-5df0A:
undetectable		 2x45B-5df0A:
11.72
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.
5e44 FNR REGULATOR

(Aliivibrio
fischeri) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 VAL A  99
TYR A  69
VAL A 121
SER A 119
 None
 1.22A 2x45B-5e44A:
undetectable		 2x45B-5e44A:
20.30
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) 		4 VAL A 521
TYR A 520
VAL A 417
SER A 382
 VAL  A 521 ( 0.6A)
TYR  A 520 ( 1.3A)
VAL  A 417 ( 0.6A)
SER  A 382 ( 0.0A)
 1.17A 2x45B-5gprA:
undetectable		 2x45B-5gprA:
12.04
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 4 VAL A 238
TYR A 227
VAL A 156
SER A 194
 None
 1.18A 2x45B-5h3kA:
undetectable		 2x45B-5h3kA:
13.12
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.
5nfn JMJC
DOMAIN-CONTAINING
PROTEIN 7

(Homo sapiens) 		no annotation 4 VAL A 235
TYR A 211
VAL A  94
SER A 176
 None
 1.43A 2x45B-5nfnA:
undetectable		 2x45B-5nfnA:
16.06
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 VAL D 965
TYR D 979
VAL D 995
SER D 881
 None
 1.27A 2x45B-5uheD:
undetectable		 2x45B-5uheD:
6.97
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.
5w8x LIPID-A-DISACCHARIDE
SYNTHASE

(Escherichia
coli) 		no annotation 4 VAL A 159
TYR A 157
VAL A 133
SER A 122
 None
 1.38A 2x45B-5w8xA:
undetectable		 2x45B-5w8xA:
18.66
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.
5xon TRANSCRIPTION
ELONGATION FACTOR
SPT4

(Komagataella
phaffii) 		PF06093
(Spt4) 		4 VAL V  58
TYR V  82
VAL V  74
SER V  66
 None
 1.07A 2x45B-5xonV:
undetectable		 2x45B-5xonV:
20.26
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 4 VAL A 530
TYR A 529
VAL A 426
SER A 391
 None
 1.16A 2x45B-5zl9A:
undetectable		 2x45B-5zl9A:
23.40
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 4 VAL A 959
TYR A 970
VAL A 925
SER A 890
 None
 0.92A 2x45B-6en4A:
undetectable		 2x45B-6en4A:
17.36