SIMILAR PATTERNS OF AMINO ACIDS FOR 2QHF_A_ACTA504_0

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.
1cyq INTRON-ENCODED
HOMING ENDONUCLEASE
I-PPOI

(Physarum
polycephalum) 		no annotation 4 SER A  77
HIS A 106
ARG A  61
LEU A 111
 None
 1.18A 2qhfA-1cyqA:
0.0		 2qhfA-1cyqA:
16.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		4 SER A   9
HIS A  10
LEU A 128
SER A 132
 EPS  A5001 ( 4.3A)
EPS  A5001 (-4.4A)
None
EPS  A5001 (-3.5A)
 0.41A 2qhfA-1qxoA:
49.6		 2qhfA-1qxoA:
44.79
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		4 SER A 230
HIS A 225
LEU A 238
SER A 234
 None
 1.18A 2qhfA-2g02A:
undetectable		 2qhfA-2g02A:
19.73
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		4 SER A 217
ARG A  18
LEU A 147
SER A 149
 None
 1.29A 2qhfA-2jbwA:
0.0		 2qhfA-2jbwA:
26.01
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.
2ka9 DISKS LARGE HOMOLOG
4

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 SER A  33
ARG A  91
LEU A  58
SER A  56
 None
 1.38A 2qhfA-2ka9A:
0.0		 2qhfA-2ka9A:
22.33
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.
2q07 UNCHARACTERIZED
PROTEIN AF0587

(Archaeoglobus
fulgidus) 		PF01472
(PUA) 		4 SER A 381
HIS A 348
LEU A 377
SER A 378
 None
 1.18A 2qhfA-2q07A:
0.0		 2qhfA-2q07A:
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.
2vj5 PROTEIN MXIC

(Shigella
flexneri) 		PF07201
(HrpJ) 		4 SER A 306
HIS A 307
LEU A 273
SER A 272
 None
 1.24A 2qhfA-2vj5A:
0.0		 2qhfA-2vj5A:
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 4 SER A 653
HIS A 412
ARG A 119
SER A 651
 None
None
FAD  A 801 (-3.4A)
FAD  A 801 (-2.7A)
 1.15A 2qhfA-2yr5A:
0.0		 2qhfA-2yr5A:
22.50
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		4 SER A 306
HIS A 243
LEU A 302
SER A 304
 None
 1.22A 2qhfA-3dc8A:
0.0		 2qhfA-3dc8A:
23.91
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.
3es1 CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Novosphingobium
aromaticivorans) 		PF07883
(Cupin_2) 		4 SER A   8
ARG A 145
LEU A   5
SER A   6
 None
 0.97A 2qhfA-3es1A:
0.0		 2qhfA-3es1A:
20.45
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 HIS A  74
ARG A 374
LEU A 326
SER A 314
 None
 1.27A 2qhfA-3i8bA:
undetectable		 2qhfA-3i8bA:
27.59
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.
3kar KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		4 SER A 599
HIS A 595
ARG A 585
SER A 601
 None
 1.27A 2qhfA-3karA:
undetectable		 2qhfA-3karA:
20.09
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 HIS A  50
ARG A 425
LEU A 399
SER A 612
 None
 1.46A 2qhfA-3ldrA:
undetectable		 2qhfA-3ldrA:
22.78
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 SER V 283
HIS V 288
LEU V 261
SER V 241
 None
 1.36A 2qhfA-4bxsV:
undetectable		 2qhfA-4bxsV:
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.
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans) 		PF00501
(AMP-binding) 		4 SER A 183
ARG A  95
LEU A 202
SER A  62
 EDO  A 414 (-3.3A)
EDO  A 414 ( 4.3A)
None
None
 1.20A 2qhfA-4gs5A:
undetectable		 2qhfA-4gs5A:
23.79
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.
4iqh DYSFERLIN

(Homo sapiens) 		PF00168
(C2) 		4 SER A  22
ARG A  81
LEU A  13
SER A  15
 None
 1.34A 2qhfA-4iqhA:
undetectable		 2qhfA-4iqhA:
16.42
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 323
HIS A 349
ARG A 404
LEU A  18
 TLA  A 502 ( 4.9A)
TLA  A 502 (-4.7A)
TLA  A 502 (-2.9A)
None
 1.41A 2qhfA-4it1A:
undetectable		 2qhfA-4it1A:
23.74
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.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		4 SER A 188
ARG A 119
LEU A 124
SER A 190
 None
FOL  A 301 (-3.0A)
None
FOL  A 301 (-2.6A)
 1.24A 2qhfA-4kmzA:
undetectable		 2qhfA-4kmzA:
18.34
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.
4lmh EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT OMCA

(Shewanella
oneidensis) 		no annotation 4 SER A 236
HIS A 232
LEU A 620
SER A 627
 None
HEC  A 801 (-3.2A)
HEC  A 801 ( 3.9A)
HEC  A 801 (-2.6A)
 1.45A 2qhfA-4lmhA:
undetectable		 2qhfA-4lmhA:
20.78
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		4 SER A 247
HIS A 191
LEU A 270
SER A 272
 None
 1.16A 2qhfA-4n03A:
undetectable		 2qhfA-4n03A:
22.59
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.
4nre ARACHIDONATE
15-LIPOXYGENASE B

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 557
HIS A 373
LEU A 607
SER A 611
 GOL  A 718 (-2.0A)
C8E  A 702 ( 3.5A)
C8E  A 702 ( 4.3A)
None
 1.36A 2qhfA-4nreA:
undetectable		 2qhfA-4nreA:
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.
4utt PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Clostridium
perfringens) 		PF04131
(NanE) 		4 SER A 155
ARG A 182
LEU A 148
SER A 149
 None
 1.36A 2qhfA-4uttA:
undetectable		 2qhfA-4uttA:
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 375
ARG A 417
LEU A 596
SER A 597
 None
 1.16A 2qhfA-5fkcA:
undetectable		 2qhfA-5fkcA:
22.85
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.
5hp0 CREB-BINDING
PROTEIN,CELLULAR
TUMOR ANTIGEN P53
FUSION PROTEIN

(Homo sapiens;
Mus musculus) 		PF02135
(zf-TAZ) 		4 SER A1779
ARG A1775
LEU A1793
SER A1795
 None
 1.16A 2qhfA-5hp0A:
undetectable		 2qhfA-5hp0A:
13.14
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 SER A 219
ARG A 367
LEU A 303
SER A 263
 None
FAD  A2001 (-4.1A)
None
None
 1.42A 2qhfA-5kf7A:
undetectable		 2qhfA-5kf7A:
16.99
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 HIS A  54
ARG A 397
LEU A 371
SER A 585
 None
 1.48A 2qhfA-5xh9A:
undetectable		 2qhfA-5xh9A:
22.04
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 341
ARG A 397
LEU A 584
SER A 585
 None
 1.29A 2qhfA-5xh9A:
undetectable		 2qhfA-5xh9A:
22.04