SIMILAR PATTERNS OF AMINO ACIDS FOR 1HK5_A_T44A1008_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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		5 ASP A  86
ALA A  90
GLU A 419
ASN A 341
VAL A 347
 None
 1.45A 1hk5A-1de6A:
0.0		 1hk5A-1de6A:
22.10
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.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLU A 430
ASN A 434
LYS A 437
VAL A 438
VAL A 388
 None
 0.89A 1hk5A-1r3nA:
0.0		 1hk5A-1r3nA:
19.64
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 312
LYS A 315
ALA A 314
GLU A 240
VAL A 305
 None
 1.31A 1hk5A-1tmoA:
0.0		 1hk5A-1tmoA:
21.71
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.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME

(Thermotoga
maritima) 		PF10396
(TrmE_N) 		5 ASP B  25
ALA B 100
GLU B  74
VAL B  77
VAL B   5
 None
 1.37A 1hk5A-1xzqB:
undetectable		 1hk5A-1xzqB:
13.04
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.
1zo1 TRANSLATION
INITIATION FACTOR 2

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 ASP I 482
ALA I 444
GLU I 448
VAL I 479
VAL I 433
 None
 1.42A 1hk5A-1zo1I:
undetectable		 1hk5A-1zo1I:
21.48
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.
2c41 DPS FAMILY
DNA-BINDING STRESS
RESPONSE PROTEIN

(Thermosynechococcus
elongatus) 		PF00210
(Ferritin) 		5 GLU A 112
ASN A  21
VAL A  23
TYR A  80
VAL A  83
 None
 1.50A 1hk5A-2c41A:
2.5		 1hk5A-2c41A:
14.68
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.
2jr0 N UTILIZATION
SUBSTANCE PROTEIN B
HOMOLOG

(Aquifex
aeolicus) 		PF01029
(NusB) 		5 ASP A   9
ALA A  11
LYS A  36
VAL A  33
VAL A  14
 None
 1.32A 1hk5A-2jr0A:
undetectable		 1hk5A-2jr0A:
15.52
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 267
LYS A 239
GLU A 250
ASN A 271
VAL A 246
 None
None
MG  A 701 (-2.4A)
None
None
 1.49A 1hk5A-2qgyA:
0.0		 1hk5A-2qgyA:
18.82
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.
2x3m HYPOTHETICAL PROTEIN
ORF239

(Pyrobaculum
spherical virus) 		no annotation 5 ALA A 184
GLU A 200
LYS A 176
VAL A 177
VAL A 194
 None
 1.23A 1hk5A-2x3mA:
3.7		 1hk5A-2x3mA:
18.89
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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 5 ASP Q  38
ALA Q  42
LYS Q  46
GLU Q  71
VAL Q  58
 None
 1.47A 1hk5A-3ksdQ:
0.0		 1hk5A-3ksdQ:
21.21
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.
3kvs C-PHYCOCYANIN ALPHA
CHAIN

(Galdieria
sulphuraria) 		PF00502
(Phycobilisome) 		5 ASP A 155
ALA A 157
LYS A 137
VAL A 136
VAL A  95
 None
 1.48A 1hk5A-3kvsA:
1.8		 1hk5A-3kvsA:
12.95
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.
3psf TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		5 ASP A 468
GLU A 474
VAL A 448
TYR A 451
VAL A 434
 None
 1.43A 1hk5A-3psfA:
2.7		 1hk5A-3psfA:
20.89
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.
3rpk BACKBONE PILUS
SUBUNIT

(Streptococcus
pneumoniae) 		PF16555
(GramPos_pilinD1)
PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		5 ASP A 548
GLU A 576
LYS A 554
VAL A 553
VAL A 544
 None
 1.18A 1hk5A-3rpkA:
2.9		 1hk5A-3rpkA:
22.72
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		5 ASP A 131
ALA A 133
GLU A 117
VAL A  65
VAL A  57
 None
 1.09A 1hk5A-4v2iA:
1.6		 1hk5A-4v2iA:
19.76
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.
4z17 ENOLASE

(Chloroflexus
aurantiacus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 LYS A 121
ALA A 119
GLU A  23
VAL A  72
VAL A  26
 None
 1.48A 1hk5A-4z17A:
2.2		 1hk5A-4z17A:
21.57
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 ASP B1110
ALA B1108
GLU B1067
ASN B1065
VAL B1063
 None
 1.21A 1hk5A-5gjeB:
undetectable		 1hk5A-5gjeB:
21.85
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASP A 230
ALA A 232
LYS A  44
VAL A  41
VAL A 242
 None
 1.43A 1hk5A-5i51A:
3.8		 1hk5A-5i51A:
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.
5ibx TRIOSEPHOSPHATE
ISOMERASE

(Streptococcus
pneumoniae) 		PF00121
(TIM) 		5 ASP A 183
LYS A 186
VAL A 215
TYR A 223
VAL A 229
 None
None
None
None
CME  A 226 (-4.2A)
 1.40A 1hk5A-5ibxA:
2.1		 1hk5A-5ibxA:
16.21
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB11

(Saccharomyces
cerevisiae) 		PF13656
(RNA_pol_L_2) 		5 ASP K  82
ALA K  86
GLU K  79
ASN K  29
VAL K  56
 None
 1.49A 1hk5A-5ip7K:
2.3		 1hk5A-5ip7K:
11.32
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.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 ASP A 453
LYS A 456
ALA A 457
GLU A 329
VAL A 449
 None
 1.46A 1hk5A-6b5iA:
undetectable		 1hk5A-6b5iA:
7.67