SIMILAR PATTERNS OF AMINO ACIDS FOR 4BVA_B_T3B1314

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.
1egj CYTOKINE RECEPTOR
COMMON BETA CHAIN
PRECURSOR

(Homo sapiens) 		PF00041
(fn3) 		5 ARG A 432
SER A 429
ARG A 411
TRP A 428
GLU A 430
 None
 1.45A 4bvaB-1egjA:
undetectable		 4bvaB-1egjA:
13.13
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.
1evj GLUCOSE-FRUCTOSE
OXIDOREDUCTASE

(Zymomonas
mobilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A 249
PHE A 246
GLY A 209
ARG A 245
PRO A 195
 None
 1.41A 4bvaB-1evjA:
6.9		 4bvaB-1evjA:
23.31
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.
1fhi FRAGILE HISTIDINE
TRIAD PROTEIN

(Homo sapiens) 		PF01230
(HIT) 		5 VAL A  99
GLY A  66
VAL A  68
PHE A  73
HIS A  72
 None
 1.43A 4bvaB-1fhiA:
undetectable		 4bvaB-1fhiA:
19.09
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.
1m6j TRIOSEPHOSPHATE
ISOMERASE

(Entamoeba
histolytica) 		PF00121
(TIM) 		5 VAL A 240
PHE A 238
GLY A   9
VAL A  42
PRO A 223
 None
 1.31A 4bvaB-1m6jA:
undetectable		 4bvaB-1m6jA:
22.56
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE BETA
SUBUNIT

(Klebsiella
pneumoniae) 		PF02288
(Dehydratase_MU) 		5 VAL B  34
GLY B 105
HIS B  76
SER B  58
PRO B   6
 None
 1.28A 4bvaB-1nbwB:
undetectable		 4bvaB-1nbwB:
16.27
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.
1nlt MITOCHONDRIAL
PROTEIN IMPORT
PROTEIN MAS5

(Saccharomyces
cerevisiae) 		PF00684
(DnaJ_CXXCXGXG)
PF01556
(DnaJ_C) 		5 ARG A 131
VAL A 220
HIS A 118
SER A 121
GLU A 126
 None
 1.48A 4bvaB-1nltA:
undetectable		 4bvaB-1nltA:
19.77
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		5 VAL A 385
GLY A 386
VAL A 415
PHE A 460
HIS A 413
 None
None
HEA  A 602 (-4.2A)
None
HEA  A 601 (-3.4A)
 1.49A 4bvaB-1qleA:
undetectable		 4bvaB-1qleA:
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.
1u6r CREATINE KINASE, M
CHAIN

(Oryctolagus
cuniculus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ARG A 250
PHE A 249
VAL A 254
PHE A 252
GLU A 247
 None
 1.40A 4bvaB-1u6rA:
undetectable		 4bvaB-1u6rA:
21.46
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.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE

(Thermus
thermophilus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 VAL A 228
PHE A 237
GLY A 239
VAL A 155
PHE A 157
 None
 0.65A 4bvaB-1uekA:
undetectable		 4bvaB-1uekA:
24.16
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.
1vdh MUCONOLACTONE
ISOMERASE-LIKE
PROTEIN

(Thermus
thermophilus) 		PF06778
(Chlor_dismutase) 		5 VAL A  67
PHE A 233
GLY A 235
VAL A 142
PHE A 144
 None
 0.48A 4bvaB-1vdhA:
undetectable		 4bvaB-1vdhA:
21.61
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.
1vho ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 VAL A 252
PHE A 286
GLY A 249
VAL A 276
SER A 300
 VAL  A 252 ( 0.6A)
PHE  A 286 ( 1.3A)
GLY  A 249 ( 0.0A)
VAL  A 276 ( 0.6A)
SER  A 300 ( 0.0A)
 1.49A 4bvaB-1vhoA:
undetectable		 4bvaB-1vhoA:
24.69
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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 VAL A   9
PHE A  68
GLY A  11
VAL A  12
ARG A 238
 None
 1.31A 4bvaB-2dwuA:
2.9		 4bvaB-2dwuA:
25.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i99 MU-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF02423
(OCD_Mu_crystall) 		8 ARG A  47
VAL A  49
GLY A  60
VAL A  77
HIS A  92
SER A 229
PRO A 231
GLU A 257
 None
None
None
None
NDP  A 502 (-3.9A)
NDP  A 502 ( 4.0A)
None
None
 0.84A 4bvaB-2i99A:
21.3		 4bvaB-2i99A:
82.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i99 MU-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF02423
(OCD_Mu_crystall) 		7 ARG A  47
VAL A  77
HIS A  92
SER A 229
PRO A 231
TRP A 233
GLU A 257
 None
None
NDP  A 502 (-3.9A)
NDP  A 502 ( 4.0A)
None
None
None
 0.89A 4bvaB-2i99A:
21.3		 4bvaB-2i99A:
82.93
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.
2j9l CHLORIDE CHANNEL
PROTEIN 5

(Homo sapiens) 		PF00571
(CBS) 		5 VAL A 713
VAL A 699
HIS A 731
ARG A 589
PRO A 588
 None
 1.48A 4bvaB-2j9lA:
undetectable		 4bvaB-2j9lA:
20.18
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.
2jfe CYTOSOLIC
BETA-GLUCOSIDASE

(Homo sapiens) 		PF00232
(Glyco_hydro_1) 		5 VAL X 349
GLY X 352
HIS X 250
ARG X 312
PRO X 336
 None
 1.40A 4bvaB-2jfeX:
undetectable		 4bvaB-2jfeX:
20.37
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 VAL A  51
GLY A  52
VAL A  73
PHE A  32
PRO A  28
 None
None
None
ACT  A 306 (-4.8A)
None
 1.22A 4bvaB-2p4oA:
undetectable		 4bvaB-2p4oA:
22.28
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.
2qfl INOSITOL-1-MONOPHOSP
HATASE

(Escherichia
coli) 		PF00459
(Inositol_P) 		5 VAL A 195
PHE A 203
GLY A 245
VAL A 249
PHE A 204
 None
 1.35A 4bvaB-2qflA:
2.2		 4bvaB-2qflA:
22.29
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 PHE A 193
GLY A 179
PHE A   8
ARG A   6
PRO A   4
 None
 1.18A 4bvaB-2wu5A:
2.9		 4bvaB-2wu5A:
19.97
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.
3dcd GALACTOSE MUTAROTASE
RELATED ENZYME

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		5 ARG A 112
PHE A 111
VAL A 129
PHE A 109
GLU A  84
 None
 1.27A 4bvaB-3dcdA:
undetectable		 4bvaB-3dcdA:
21.94
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 VAL A 503
PHE A 491
GLY A 555
VAL A 571
HIS A 523
 None
 1.39A 4bvaB-3eqnA:
undetectable		 4bvaB-3eqnA:
18.60
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		5 VAL A 273
GLY A 217
VAL A 216
SER A 252
ARG A 258
 None
LLP  A  91 ( 3.4A)
LLP  A  91 ( 4.3A)
None
None
 1.36A 4bvaB-3iauA:
4.5		 4bvaB-3iauA:
24.87
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.
3io5 RECOMBINATION AND
REPAIR PROTEIN

(Escherichia
virus T4) 		PF00154
(RecA) 		5 VAL A 110
PHE A  88
VAL A 139
PHE A 141
PRO A  97
 None
 1.43A 4bvaB-3io5A:
undetectable		 4bvaB-3io5A:
25.20
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.
3krs TRIOSEPHOSPHATE
ISOMERASE

(Cryptosporidium
parvum) 		PF00121
(TIM) 		5 VAL A 233
PHE A 231
GLY A   8
VAL A  37
PRO A 216
 None
 1.39A 4bvaB-3krsA:
undetectable		 4bvaB-3krsA:
23.41
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 VAL A 675
PHE A 690
GLY A 692
VAL A 699
ARG A 703
 None
 1.25A 4bvaB-3lj0A:
undetectable		 4bvaB-3lj0A:
20.73
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.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 VAL A 426
GLY A 421
PHE A 431
ARG A  72
PRO A  73
 None
 1.27A 4bvaB-3of7A:
undetectable		 4bvaB-3of7A:
22.45
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ARG A 115
PHE A 116
GLY A 118
ARG A 114
GLU A 122
 None
3NP  A 602 (-4.7A)
None
None
None
 1.39A 4bvaB-3p4sA:
2.8		 4bvaB-3p4sA:
20.14
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.
3qvu SULFOTRANSFERASE 1A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 VAL A 167
GLY A 165
VAL A 164
SER A 157
PRO A 152
 None
 1.33A 4bvaB-3qvuA:
undetectable		 4bvaB-3qvuA:
23.45
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 VAL A 222
GLY A 223
VAL A 235
SER A 191
PRO A 183
 None
 1.26A 4bvaB-3v4pA:
undetectable		 4bvaB-3v4pA:
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.
3wob HYPOTHETICAL PROTEIN

(Sus scrofa) 		PF01419
(Jacalin) 		5 PHE A  45
GLY A  68
SER A  64
TRP A  63
GLU A  65
 None
 1.15A 4bvaB-3wobA:
undetectable		 4bvaB-3wobA:
15.82
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ARG A 562
PHE A 751
PHE A 754
HIS A 758
GLU A 225
 None
None
None
DMU  A1778 (-3.9A)
None
 1.24A 4bvaB-4a01A:
undetectable		 4bvaB-4a01A:
18.95
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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 VAL A 139
GLY A  48
VAL A  72
PHE A  74
SER A 114
 GOL  A1400 ( 4.7A)
None
None
GOL  A1400 (-4.5A)
None
 1.33A 4bvaB-4bkoA:
4.3		 4bvaB-4bkoA:
25.06
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.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A  28
PHE A  26
PHE A  19
ARG A  29
GLU A  12
 None
 1.34A 4bvaB-4hpnA:
undetectable		 4bvaB-4hpnA:
22.25
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.
4p6y AMINOPEPTIDASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 VAL A  82
PHE A 148
GLY A  65
VAL A 150
ARG A  17
 None
 1.31A 4bvaB-4p6yA:
undetectable		 4bvaB-4p6yA:
23.62
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.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 VAL A 450
PHE A 290
GLY A 293
VAL A 294
SER A 482
 None
SIN  A 901 (-4.0A)
None
None
None
 1.36A 4bvaB-4q6rA:
2.4		 4bvaB-4q6rA:
21.80
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 VAL D 152
GLY D 155
VAL D 185
ARG D 149
PRO D 164
 None
 1.44A 4bvaB-4x28D:
undetectable		 4bvaB-4x28D:
24.02
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.
4zxb INSULIN RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 VAL E 254
PHE E 231
HIS E 247
ARG E  83
GLU E  30
 None
 1.45A 4bvaB-4zxbE:
undetectable		 4bvaB-4zxbE:
16.83
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 ARG A 221
PHE A 277
GLY A 222
VAL A 223
GLU A 272
 None
 1.04A 4bvaB-5ey9A:
2.7		 4bvaB-5ey9A:
22.48
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.
5i7p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		5 VAL A  63
GLY A  62
VAL A   2
PHE A 146
GLU A  60
 None
 1.49A 4bvaB-5i7pA:
undetectable		 4bvaB-5i7pA:
19.68
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.
5i7q PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE 16
KDA PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE,PEPTIDYL-P
ROLYL CIS-TRANS
ISOMERASE FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		5 VAL A  63
GLY A  62
VAL A   2
PHE A 147
GLU A  60
 None
 1.48A 4bvaB-5i7qA:
undetectable		 4bvaB-5i7qA:
18.55
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 5 VAL A 384
PHE A 367
GLY A 365
VAL A 275
PHE A 277
 None
None
MG  A1003 (-4.1A)
None
None
 1.14A 4bvaB-5nlmA:
2.8		 4bvaB-5nlmA:
14.24
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.
5sv6 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 3

(Methylophaga
aminisulfidivorans) 		PF00497
(SBP_bac_3) 		5 GLY A  99
VAL A  97
SER A  49
PRO A  47
GLU A  45
 None
 1.45A 4bvaB-5sv6A:
undetectable		 4bvaB-5sv6A:
24.17
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.
5vwn TRIOSEPHOSPHATE
ISOMERASE

(Trichomonas
vaginalis) 		no annotation 5 VAL A 226
PHE A 224
GLY A   7
VAL A  38
PRO A 209
 None
 1.31A 4bvaB-5vwnA:
2.6		 4bvaB-5vwnA:
11.34
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.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 5 ARG A 102
VAL A 163
PHE A 115
PHE A 104
SER A  97
 None
 1.39A 4bvaB-5xvhA:
8.2		 4bvaB-5xvhA:
16.62