SIMILAR PATTERNS OF AMINO ACIDS FOR 4QWP_B_GCSB302_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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 TYR A 161
ILE A 184
THR A  95
TYR A 339
 None
 1.34A 4qwpB-1lnlA:
undetectable		 4qwpB-1lnlA:
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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		4 TYR A  29
ILE A 257
THR A 149
TYR A   7
 None
 1.46A 4qwpB-1nj8A:
0.0		 4qwpB-1nj8A:
21.27
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.
1o1u GASTROTROPIN

(Homo sapiens) 		PF14651
(Lipocalin_7) 		4 GLU A 110
ILE A  36
THR A  38
TYR A 119
 None
 1.29A 4qwpB-1o1uA:
0.0		 4qwpB-1o1uA:
18.88
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.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		4 GLU A  58
TYR A  55
THR A  23
TYR A 114
 None
 1.15A 4qwpB-1ralA:
0.0		 4qwpB-1ralA:
20.68
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 TYR A 336
ILE A 211
THR A 215
TYR A 238
 None
 1.34A 4qwpB-1sb8A:
0.0		 4qwpB-1sb8A:
26.59
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		4 GLU A 312
TYR A 266
ILE A 430
TYR A 470
 None
 1.34A 4qwpB-1xocA:
0.0		 4qwpB-1xocA:
18.56
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 TYR A 228
ILE A 183
THR A 229
TYR A 433
 None
 1.03A 4qwpB-2f43A:
0.0		 4qwpB-2f43A:
22.20
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.
2hzk TRAP-T FAMILY
SORBITOL/MANNITOL
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, SMOM

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		4 GLU A 240
ILE A  47
THR A 153
TYR A 100
 GOL  A 801 (-3.8A)
GOL  A 801 ( 4.9A)
None
None
 1.34A 4qwpB-2hzkA:
0.0		 4qwpB-2hzkA:
22.49
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.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		4 GLU A  93
TYR A  71
THR A  56
TYR A 207
 None
HEM  A 500 (-3.6A)
None
HEM  A 500 (-3.5A)
 1.22A 4qwpB-2r79A:
0.0		 4qwpB-2r79A:
26.94
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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		4 TYR A 325
ILE A 395
THR A 398
TYR A 390
 None
 1.33A 4qwpB-2xlrA:
undetectable		 4qwpB-2xlrA:
19.78
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.
3e9m OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		PF01408
(GFO_IDH_MocA) 		4 GLU A 280
TYR A  70
ILE A  14
TYR A 180
 None
 1.22A 4qwpB-3e9mA:
undetectable		 4qwpB-3e9mA:
20.41
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.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		4 GLU A  51
TYR A  48
THR A  23
TYR A 107
 None
ACT  A 501 ( 4.3A)
None
None
 1.36A 4qwpB-3h7rA:
undetectable		 4qwpB-3h7rA:
22.94
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.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		4 TYR A 261
ILE A 271
THR A 264
TYR A 409
 None
 1.41A 4qwpB-3k9tA:
undetectable		 4qwpB-3k9tA:
18.22
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.
3m0e TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00158
(Sigma54_activat) 		4 GLU A 304
ILE A 283
THR A 166
TYR A 298
 None
 1.06A 4qwpB-3m0eA:
undetectable		 4qwpB-3m0eA:
21.83
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.
3t0p DNA POLYMERASE III,
BETA SUBUNIT

([Eubacterium]
rectale) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 GLU A 160
TYR A 241
ILE A 244
TYR A 180
 EDO  A 386 (-3.9A)
None
None
None
 1.39A 4qwpB-3t0pA:
undetectable		 4qwpB-3t0pA:
20.15
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 218
TYR A 134
THR A 290
TYR A  56
 MG  A 401 ( 2.9A)
None
None
0XW  A 403 (-4.7A)
 1.33A 4qwpB-4h2hA:
undetectable		 4qwpB-4h2hA:
23.46
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.
4i3c BILIRUBIN-INDUCIBLE
FLUORESCENT PROTEIN
UNAG

(Anguilla
japonica) 		PF00061
(Lipocalin) 		4 GLU A  77
ILE A  55
THR A  65
TYR A 110
 BLR  A 200 (-4.0A)
BLR  A 200 (-3.6A)
BLR  A 200 ( 4.0A)
BLR  A 200 ( 4.0A)
 1.19A 4qwpB-4i3cA:
undetectable		 4qwpB-4i3cA:
19.92
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.
4i5s VICK-LIKE PROTEIN
PUTATIVE HISTIDINE
KINASE COVS

(Streptococcus
mutans) 		PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c) 		4 GLU A 253
ILE A 291
THR A 329
TYR A 229
 None
 1.47A 4qwpB-4i5sA:
undetectable		 4qwpB-4i5sA:
18.10
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.
4l35 CRUXRHODOPSIN-3

(Haloarcula
vallismortis) 		PF01036
(Bac_rhodopsin) 		4 GLU A 198
TYR A  77
ILE A 205
THR A 209
 None
 1.38A 4qwpB-4l35A:
1.0		 4qwpB-4l35A:
23.76
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.
4tqv ALGM1

(Sphingomonas
sp.) 		PF00528
(BPD_transp_1) 		4 GLU A 123
TYR A 216
ILE A 208
THR A 234
 None
 1.30A 4qwpB-4tqvA:
undetectable		 4qwpB-4tqvA:
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		4 GLU H 101
TYR H 183
ILE H 165
THR H 158
 None
 0.88A 4qwpB-4u0gH:
undetectable		 4qwpB-4u0gH:
23.72
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		4 GLU A 282
TYR A 206
ILE A  50
THR A 213
 HIS  A 800 (-3.0A)
HIS  A 800 (-4.4A)
HIS  A 800 ( 4.2A)
HIS  A 800 ( 4.5A)
 1.44A 4qwpB-4uy6A:
undetectable		 4qwpB-4uy6A:
25.21
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.
4wfh POTASSIUM CHANNEL
SUBFAMILY K MEMBER 4

(Homo sapiens) 		PF07885
(Ion_trans_2) 		4 TYR A 132
ILE A 265
THR A 235
TYR A 257
 None
 1.20A 4qwpB-4wfhA:
undetectable		 4qwpB-4wfhA:
21.43
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		PF12940
(RAG1) 		4 GLU B 597
TYR B 707
ILE B 785
THR B 787
 None
 1.43A 4qwpB-4wwxB:
2.6		 4qwpB-4wwxB:
17.40
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.
4xdk POTASSIUM CHANNEL
SUBFAMILY K MEMBER
10

(Homo sapiens) 		PF07885
(Ion_trans_2) 		4 TYR A 175
ILE A 309
THR A 278
TYR A 301
 None
 1.14A 4qwpB-4xdkA:
undetectable		 4qwpB-4xdkA:
22.51
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.
4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28

(Cytomegalovirus) 		PF00001
(7tm_1) 		4 GLU A 277
TYR A  40
THR A  36
TYR A 112
 None
 1.44A 4qwpB-4xt1A:
undetectable		 4qwpB-4xt1A:
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.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		4 GLU G1184
TYR G1216
ILE G1208
THR G1212
 None
 1.28A 4qwpB-4z94G:
undetectable		 4qwpB-4z94G:
21.76
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.
5brl STAR-RELATED LIPID
TRANSFER PROTEIN 4

(Mus musculus) 		PF01852
(START) 		4 GLU A  63
TYR A  37
THR A  33
TYR A 165
 None
 1.38A 4qwpB-5brlA:
undetectable		 4qwpB-5brlA:
20.47
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 GLU A 313
TYR A 274
ILE A 332
THR A 318
 None
 1.32A 4qwpB-5gl7A:
undetectable		 4qwpB-5gl7A:
18.32
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		4 TYR A  64
ILE A 420
THR A 423
TYR A 332
 None
 1.47A 4qwpB-5hdmA:
0.6		 4qwpB-5hdmA:
20.05
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 452
ILE A 930
THR A 933
TYR A 892
 6GA  A1015 ( 4.8A)
None
None
6GA  A1015 (-3.8A)
 1.32A 4qwpB-5j6sA:
undetectable		 4qwpB-5j6sA:
13.84
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		4 TYR A 576
ILE A 670
THR A 515
TYR A 609
 None
 1.39A 4qwpB-5k04A:
undetectable		 4qwpB-5k04A:
15.91
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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		4 GLU A 419
ILE A 285
THR A 354
TYR A 615
 LA  A 711 ( 4.4A)
None
None
None
 1.18A 4qwpB-5kkbA:
undetectable		 4qwpB-5kkbA:
19.08
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.
5of4 GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 2

(Homo sapiens) 		PF04056
(Ssl1) 		4 TYR E 228
ILE E 170
THR E  84
TYR E 219
 None
 1.00A 4qwpB-5of4E:
undetectable		 4qwpB-5of4E:
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.
5w2h INOSITOL
POLYPHOSPHATE
MULTIKINASE,INOSITOL
POLYPHOSPHATE
MULTIKINASE

(Homo sapiens) 		PF03770
(IPK) 		4 GLU A 173
TYR A 168
ILE A 207
TYR A 291
 None
 1.17A 4qwpB-5w2hA:
undetectable		 4qwpB-5w2hA:
23.43
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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		4 GLU A 651
TYR A 646
THR A 488
TYR A 629
 None
 1.45A 4qwpB-5wx1A:
undetectable		 4qwpB-5wx1A:
16.01
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.
5xcu VH(S112C)-SARAH
CHIMERA,VH(S112C)-SA
RAH CHIMERA
VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 GLU B  55
TYR B  36
THR B  34
TYR A 102
 None
 1.22A 4qwpB-5xcuB:
undetectable		 4qwpB-5xcuB:
21.74
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 GLU A 597
TYR A 707
ILE A 785
THR A 787
 None
 1.31A 4qwpB-6cg0A:
undetectable		 4qwpB-6cg0A:
13.77
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 TYR A 707
ILE A 785
THR A 787
TYR A 559
 None
 1.46A 4qwpB-6cg0A:
undetectable		 4qwpB-6cg0A:
13.77