SIMILAR PATTERNS OF AMINO ACIDS FOR 2RK8_B_PPFB3969_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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		6 ARG A  43
LYS A 185
LYS A 186
HIS A 205
ASP A 242
ARG A 307
 None
 0.70A 2rk8B-1ii2A:
30.1		 2rk8B-1ii2A:
23.57
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		6 ARG A  52
LYS A 196
LYS A 197
HIS A 216
ASP A 253
ARG A 319
 None
 0.91A 2rk8B-1j3bA:
30.3		 2rk8B-1j3bA:
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.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 ARG A  87
LYS A  12
SER A 226
ASP A 265
 None
 1.38A 2rk8B-1narA:
undetectable		 2rk8B-1narA:
19.52
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.
1ygg PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Actinobacillus
succinogenes) 		PF01293
(PEPCK_ATP) 		6 ARG A  65
LYS A 212
LYS A 213
HIS A 232
ASP A 269
ARG A 333
 None
 0.85A 2rk8B-1yggA:
28.3		 2rk8B-1yggA:
23.03
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.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		4 LYS A 404
LYS A 441
SER A  80
ASP A 370
 SO4  A1000 (-2.9A)
SO4  A1000 (-2.8A)
SO4  A1000 (-2.9A)
SO4  A1000 (-3.0A)
 1.46A 2rk8B-1yp4A:
undetectable		 2rk8B-1yp4A:
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		7 ARG A  60
LYS A 205
LYS A 206
HIS A 225
SER A 244
ASP A 263
ARG A 327
 OXD  A 543 (-4.1A)
OXD  A 543 ( 4.2A)
MN  A 999 ( 2.4A)
MN  A 999 (-3.4A)
OXD  A 543 ( 2.3A)
MN  A 999 (-2.5A)
ATP  A 541 ( 2.8A)
 0.73A 2rk8B-1ytmA:
29.2		 2rk8B-1ytmA:
23.17
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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		4 ARG A  62
SER A  34
ASP A  39
ARG A 186
 None
 1.49A 2rk8B-1zoiA:
undetectable		 2rk8B-1zoiA:
18.79
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.
2ep7 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Aquifex
aeolicus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 ARG A  12
HIS A  51
SER A  16
ASP A 321
 None
 1.37A 2rk8B-2ep7A:
undetectable		 2rk8B-2ep7A:
21.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		6 ARG A 105
LYS A 262
LYS A 263
HIS A 283
ASP A 330
ARG A 424
 1PE  A1262 (-3.7A)
1PE  A1262 (-4.3A)
MN  A1701 ( 1.9A)
MN  A1701 (-3.2A)
MN  A1701 (-2.3A)
1PE  A1262 (-3.0A)
 0.63A 2rk8B-2fafA:
55.1		 2rk8B-2fafA:
63.42
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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		4 LYS A 127
HIS A 220
SER A 221
ASP A 124
 INS  A 303 (-2.6A)
FE  A 302 (-3.2A)
INS  A 303 (-2.8A)
FE  A 302 ( 2.5A)
 1.41A 2rk8B-2huoA:
undetectable		 2rk8B-2huoA:
18.79
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.
2wbp L-ARGININE
BETA-HYDROXYLASE

(Streptomyces
vinaceus) 		PF02668
(TauD) 		4 HIS A 225
SER A 224
ASP A 171
ARG A 334
 None
ZZU  A1359 (-3.2A)
ZZU  A1359 ( 4.9A)
ZZU  A1359 ( 2.9A)
 1.30A 2rk8B-2wbpA:
undetectable		 2rk8B-2wbpA:
20.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 LYS A 229
LYS A 230
HIS A 250
ASP A 297
ARG A 389
 None
 0.37A 2rk8B-2zciA:
50.6		 2rk8B-2zciA:
48.01
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.
2zo6 CYAN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN (KCY)

(Verrillofungia
concinna) 		PF01353
(GFP) 		4 ARG A  66
LYS A  65
HIS A  38
ARG A  91
 GYS  A  63 ( 4.2A)
GYS  A  63 ( 3.6A)
GYS  A  63 ( 3.9A)
GYS  A  63 ( 3.0A)
 1.37A 2rk8B-2zo6A:
undetectable		 2rk8B-2zo6A:
16.80
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 4 ARG A 204
HIS A 200
ASP A 199
ARG A 286
 None
 1.07A 2rk8B-3gjyA:
undetectable		 2rk8B-3gjyA:
18.73
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 HIS B 467
SER B  75
ASP B 425
ARG B 209
 CO  B 563 ( 3.1A)
CO  B 563 (-1.8A)
CO  B 562 (-2.1A)
3PG  B 564 ( 3.2A)
 1.47A 2rk8B-3igzB:
undetectable		 2rk8B-3igzB:
23.02
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ARG A 254
HIS A 199
ASP A 118
ARG A 122
 PO4  A 500 (-3.1A)
ZN  A 505 (-3.3A)
ZN  A 505 (-2.7A)
PO4  A 500 (-2.9A)
 1.31A 2rk8B-3ll8A:
undetectable		 2rk8B-3ll8A:
20.97
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.
3t2n SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09272
(Hepsin-SRCR) 		4 HIS A 262
SER A 408
ASP A 196
ARG A  97
 None
 1.34A 2rk8B-3t2nA:
undetectable		 2rk8B-3t2nA:
19.01
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		4 ARG A 146
LYS A   9
SER A 364
ASP A  12
 None
 1.31A 2rk8B-3t8lA:
undetectable		 2rk8B-3t8lA:
22.71
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.
3w64 MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		4 HIS A 285
SER A 283
ASP A 249
ARG A 240
 None
 1.28A 2rk8B-3w64A:
undetectable		 2rk8B-3w64A:
8.92
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.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 ARG A  62
SER A  34
ASP A  39
ARG A 186
 None
 1.40A 2rk8B-4dgqA:
undetectable		 2rk8B-4dgqA:
17.62
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.
4ga7 LEUKOCYTE ELASTASE
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 HIS A 364
SER A 367
ASP A  76
ARG A  69
 None
 1.19A 2rk8B-4ga7A:
undetectable		 2rk8B-4ga7A:
18.91
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.
4gz2 TYROSYL-DNA
PHOSPHODIESTERASE 2

(Mus musculus) 		PF03372
(Exo_endo_phos) 		4 HIS A 236
SER A 239
ASP A 272
ARG A 276
 None
 1.40A 2rk8B-4gz2A:
undetectable		 2rk8B-4gz2A:
18.93
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 LYS A 530
SER A 412
ASP A 521
ARG A 440
 None
 1.49A 2rk8B-4jncA:
undetectable		 2rk8B-4jncA:
19.30
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.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 LYS A 329
SER A 283
ASP A 285
ARG A 431
 2OP  A2002 (-2.7A)
None
None
FAD  A2001 (-4.0A)
 1.50A 2rk8B-4o8aA:
undetectable		 2rk8B-4o8aA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		7 ARG A  87
LYS A 243
LYS A 244
HIS A 264
SER A 286
ASP A 311
ARG A 405
 SPV  A 704 (-3.8A)
SPV  A 704 (-4.5A)
MN  A 701 ( 2.4A)
MN  A 701 (-3.4A)
SPV  A 704 ( 2.8A)
MN  A 701 (-2.5A)
GTP  A 703 ( 2.8A)
 0.36A 2rk8B-4ox2A:
61.9		 2rk8B-4ox2A:
99.84
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.
4u8u GLOBIN B CHAIN
GLOBIN C CHAIN

(Glossoscolex
paulistus) 		PF00042
(Globin) 		4 ARG B  16
LYS B  12
SER C  27
ASP B  79
 None
 1.34A 2rk8B-4u8uB:
undetectable		 2rk8B-4u8uB:
12.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		6 ARG A  81
LYS A 228
LYS A 229
HIS A 249
ASP A 296
ARG A 388
 None
None
MN  A 705 (-3.1A)
MN  A 705 (-4.5A)
MN  A 705 (-3.5A)
None
 0.56A 2rk8B-5i67A:
51.3		 2rk8B-5i67A:
51.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		6 ARG A  81
LYS A 228
LYS A 229
SER A 271
ASP A 296
ARG A 388
 None
None
MN  A 705 (-3.1A)
MN  A 705 (-4.7A)
MN  A 705 (-3.5A)
None
 0.92A 2rk8B-5i67A:
51.3		 2rk8B-5i67A:
51.27
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		4 ARG A 459
LYS A 463
LYS A 460
ASP A 434
 None
 0.92A 2rk8B-5jfmA:
undetectable		 2rk8B-5jfmA:
21.65
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 LYS A 265
SER A 219
ASP A 221
ARG A 367
 TFB  A2003 (-2.8A)
None
None
FAD  A2001 (-4.1A)
 1.48A 2rk8B-5kf7A:
undetectable		 2rk8B-5kf7A:
19.95
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02783
(MCR_beta_N) 		4 ARG B 352
LYS B 387
SER A 461
ASP A 465
 None
 1.17A 2rk8B-5n28B:
undetectable		 2rk8B-5n28B:
23.18
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.
5t5w INTERFERON LAMBDA
RECEPTOR 1
INTERFERON LAMBDA-3

(Homo sapiens) 		PF01108
(Tissue_fac)
PF15177
(IL28A) 		4 LYS C  21
LYS C  24
SER B  42
ASP B  98
 None
 1.37A 2rk8B-5t5wC:
undetectable		 2rk8B-5t5wC:
13.30
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.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		4 HIS A 156
SER A 231
ASP A 157
ARG A 236
 None
 1.45A 2rk8B-5tlcA:
undetectable		 2rk8B-5tlcA:
20.34
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.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		4 ARG A 265
HIS A  91
SER A 269
ASP A 364
 UDP  A 501 (-3.9A)
None
None
GOL  A 504 (-3.3A)
 1.50A 2rk8B-5tvgA:
undetectable		 2rk8B-5tvgA:
20.34
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.
6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 4 LYS G 227
LYS G 485
HIS G 249
SER G 264
 None
 1.48A 2rk8B-6ck9G:
undetectable		 2rk8B-6ck9G:
8.12
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 6 ARG A  65
LYS A 212
LYS A 213
HIS A 232
ASP A 269
ARG A 333
 PYR  A 602 (-4.0A)
PYR  A 602 (-4.5A)
MN  A 604 ( 2.1A)
MN  A 604 ( 3.3A)
MN  A 604 ( 2.5A)
ATP  A 601 ( 2.9A)
 0.84A 2rk8B-6d5iA:
29.4		 2rk8B-6d5iA:
10.80
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.
6fv5 QUEUINE
TRNA-RIBOSYLTRANSFER
ASE ACCESSORY
SUBUNIT 2

(Mus musculus) 		no annotation 4 ARG A 232
SER A 150
ASP A 220
ARG A 202
 None
 1.37A 2rk8B-6fv5A:
undetectable		 2rk8B-6fv5A:
10.76