SIMILAR PATTERNS OF AMINO ACIDS FOR 3RLB_B_VIBB187

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.
1bm8 TRANSCRIPTION FACTOR
MBP1

(Saccharomyces
cerevisiae) 		PF04383
(KilA-N) 		5 TRP A  77
GLU A  17
TYR A  10
GLY A  69
VAL A  13
 None
 1.49A 3rlbB-1bm8A:
undetectable		 3rlbB-1bm8A:
19.85
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.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ILE A 197
TYR A 243
GLY A 227
TYR A  35
ASN A 170
 OXY  A 405 ( 4.7A)
None
None
None
None
 1.45A 3rlbB-1e5dA:
0.0		 3rlbB-1e5dA:
20.40
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 396
GLU B 397
TYR B 360
GLY B 323
ASN B 418
 None
 1.35A 3rlbB-1ffvB:
0.0		 3rlbB-1ffvB:
13.93
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.
1h65 CHLOROPLAST OUTER
ENVELOPE PROTEIN
OEP34

(Pisum sativum) 		PF04548
(AIG1) 		5 ILE A 209
GLU A 210
HIS A 163
GLY A  49
VAL A 126
 None
GDP  A 281 (-3.2A)
GDP  A 281 (-3.5A)
GDP  A 281 (-3.5A)
None
 1.31A 3rlbB-1h65A:
0.0		 3rlbB-1h65A:
23.47
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 ILE A  49
TYR A 102
GLY A  86
TYR A  88
VAL A  92
 None
 1.42A 3rlbB-1j1uA:
0.0		 3rlbB-1j1uA:
20.38
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.
1jal YCHF PROTEIN

(Haemophilus
influenzae) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ILE A 240
GLU A 210
GLY A  14
VAL A 236
ASN A 207
 None
 1.36A 3rlbB-1jalA:
0.0		 3rlbB-1jalA:
21.31
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 GLU A 142
GLU A 134
HIS A 132
GLY A 138
VAL A 181
 None
 0.95A 3rlbB-1pe9A:
undetectable		 3rlbB-1pe9A:
18.28
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.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		5 GLU C  20
TYR C 157
GLY C 136
TYR C 228
VAL C 138
 None
 1.42A 3rlbB-1pfxC:
0.0		 3rlbB-1pfxC:
22.44
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.
1ta3 ENDO-1,4-BETA-XYLANA
SE

(Aspergillus
nidulans) 		PF00331
(Glyco_hydro_10) 		5 GLU B 231
TYR B 167
HIS B 122
GLY B  79
VAL B 125
 None
 1.26A 3rlbB-1ta3B:
0.0		 3rlbB-1ta3B:
21.99
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.
1z27 OOKINETE SURFACE
PROTEIN PVS25

(Plasmodium
vivax) 		PF06247
(Plasmod_Pvs28) 		5 ILE A 101
GLU A  99
GLU A  33
GLY A  76
VAL A  88
 None
 1.35A 3rlbB-1z27A:
undetectable		 3rlbB-1z27A:
16.04
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 429
GLU A 428
HIS A 364
GLY A 373
VAL A 375
 None
 1.26A 3rlbB-2ipiA:
undetectable		 3rlbB-2ipiA:
18.38
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 ILE A 411
GLU A 414
GLU A 657
TYR A 650
VAL A 631
 None
 1.36A 3rlbB-2zzgA:
1.9		 3rlbB-2zzgA:
13.85
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ILE A 113
GLU A 110
GLU A  15
GLY A 380
VAL A   6
 None
 1.42A 3rlbB-3cp8A:
undetectable		 3rlbB-3cp8A:
17.00
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.
3cqh L-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE ULAE

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 GLU A 251
TYR A  11
TYR A 183
HIS A 211
GLY A 187
 None
SO4  A 402 (-4.4A)
None
None
None
 1.41A 3rlbB-3cqhA:
undetectable		 3rlbB-3cqhA:
22.97
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.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 177
GLU A 370
TYR A 380
TYR A 164
VAL A 388
 None
 1.25A 3rlbB-3g1uA:
undetectable		 3rlbB-3g1uA:
17.69
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 GLU A 381
TYR A 212
HIS A 336
GLY A 339
VAL A 377
 MN  A 519 ( 2.7A)
M44  A 518 (-3.6A)
MN  A 519 (-3.3A)
None
None
 1.30A 3rlbB-3l7gA:
undetectable		 3rlbB-3l7gA:
14.62
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.
3mgw LYSOZYME G

(Salmo salar) 		PF01464
(SLT) 		5 ILE A  69
GLU A  73
TYR A 169
GLY A  15
VAL A 174
 None
 1.49A 3rlbB-3mgwA:
undetectable		 3rlbB-3mgwA:
21.84
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.
3rva ORGANOPHOSPHORUS
ACID ANHYDROLASE

(Alteromonas
macleodii) 		PF00557
(Peptidase_M24) 		5 GLU A 384
TYR A 212
HIS A 339
GLY A 342
VAL A 380
 MN  A 453 (-2.9A)
None
MN  A 453 (-3.4A)
None
None
 1.28A 3rlbB-3rvaA:
undetectable		 3rlbB-3rvaA:
15.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		5 ILE A  36
GLU A  38
GLU A  84
HIS A 125
TYR A 136
 PG4  A 210 (-4.3A)
26G  A 203 (-3.8A)
26G  A 203 (-2.9A)
26G  A 203 (-3.4A)
None
 1.36A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		11 ILE A  36
GLU A  38
GLU A  84
TYR A  85
TYR A 122
HIS A 125
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-4.3A)
26G  A 203 (-3.8A)
26G  A 203 (-2.9A)
26G  A 203 (-4.6A)
None
26G  A 203 (-3.4A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 0.15A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		6 TRP A  34
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-3.9A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 0.99A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
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.
4nxk ABP, A GH27
BETA-L-ARABINOPYRANO
SIDASE

(Geobacillus
stearothermophilus) 		PF16499
(Melibiase_2) 		5 TRP A  21
ILE A 219
GLY A 280
VAL A 227
ASN A 248
 SO4  A 501 (-4.2A)
None
None
None
None
 1.43A 3rlbB-4nxkA:
undetectable		 3rlbB-4nxkA:
16.78
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.
4qr8 XAA-PRO DIPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 GLU A 384
TYR A 214
HIS A 339
GLY A 342
VAL A 380
 MG  A 501 (-2.5A)
None
MG  A 501 (-3.5A)
None
None
 1.32A 3rlbB-4qr8A:
undetectable		 3rlbB-4qr8A:
20.28
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 GLU A 389
TYR A 134
TYR A 318
TYR A 250
VAL A 248
 MVL  A 501 (-2.8A)
MVL  A 501 (-4.7A)
MVL  A 501 (-3.8A)
None
None
 1.43A 3rlbB-4re2A:
undetectable		 3rlbB-4re2A:
17.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tkr THIAMINE TRANSPORTER
THIA

(Listeria
monocytogenes) 		PF09515
(Thia_YuaJ) 		7 GLU A  82
TYR A  83
TYR A 128
HIS A 131
GLY A 135
TRP A 139
ASN A 157
 TPP  A 301 (-2.8A)
TPP  A 301 (-4.6A)
None
TPP  A 301 (-3.6A)
TPP  A 301 (-3.3A)
TPP  A 301 (-3.4A)
TPP  A 301 (-3.1A)
 0.37A 3rlbB-4tkrA:
27.1		 3rlbB-4tkrA:
37.79
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 569
HIS A 759
GLY A 724
TYR A 754
VAL A 761
 None
 1.43A 3rlbB-4wjlA:
undetectable		 3rlbB-4wjlA:
14.89
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.
5fip GH5 CELLULASE

(unidentified) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		5 ILE A  79
TYR A 147
GLY A  83
VAL A  51
ASN A 111
 None
 1.21A 3rlbB-5fipA:
undetectable		 3rlbB-5fipA:
17.97
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum) 		no annotation 5 GLU A 327
TYR A 260
HIS A 215
GLY A 172
VAL A 218
 None
 1.30A 3rlbB-5mrjA:
undetectable		 3rlbB-5mrjA:
17.39
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B

(Methanothermococcus
thermolithotrophicus) 		PF02754
(CCG) 		5 GLU B 124
TYR B  82
GLY B 152
VAL B 230
ASN B  79
 None
None
9S8  B 302 ( 3.8A)
None
9S8  B 302 (-4.4A)
 1.46A 3rlbB-5odrB:
undetectable		 3rlbB-5odrB:
20.60
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 GLU A 451
TYR A 300
HIS A 424
GLY A 427
VAL A 447
 MN  A 601 ( 2.5A)
01B  A 604 (-3.5A)
MN  A 601 ( 3.4A)
None
None
 1.26A 3rlbB-5x49A:
undetectable		 3rlbB-5x49A:
17.80
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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 183
GLU A 376
TYR A 384
TYR A 170
VAL A 388
 None
 1.27A 3rlbB-6aphA:
undetectable		 3rlbB-6aphA:
18.04
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 5 ILE A 433
GLU A 462
TYR A 415
VAL A 450
ASN A 416
 None
 1.16A 3rlbB-6ercA:
undetectable		 3rlbB-6ercA:
13.30