SIMILAR PATTERNS OF AMINO ACIDS FOR 6MN1_B_LLLB302

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.
1g8w LEUCOAGGLUTINATING
PHYTOHEMAGGLUTININ

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 ASP A  86
GLY A 103
ASP A 222
THR A 220
SER A 208
 None
 1.49A 6mn1B-1g8wA:
0.0		 6mn1B-1g8wA:
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.
1k1e DEOXY-D-MANNOSE-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE

(Haemophilus
influenzae) 		PF08282
(Hydrolase_3) 		5 ASP A 111
ASP A  16
GLY A 106
ASP A  90
THR A  86
 CO  A 201 ( 4.3A)
None
None
GOL  A2502 (-4.2A)
None
 1.49A 6mn1B-1k1eA:
1.0		 6mn1B-1k1eA:
23.40
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.
1lu2 LECTIN

(Vigna
unguiculata) 		PF00139
(Lectin_legB) 		5 ASP A  85
GLY A 102
ASP A 223
THR A 221
SER A 209
 A2G  A 254 (-2.7A)
A2G  A 254 (-3.7A)
None
None
None
 1.46A 6mn1B-1lu2A:
0.0		 6mn1B-1lu2A:
16.16
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.
1n47 ISOLECTIN B4

(Vicia villosa) 		PF00139
(Lectin_legB) 		5 ASP A  85
GLY A 102
ASP A 222
THR A 220
SER A 208
 TNR  A1401 (-2.9A)
TNR  A1401 ( 3.9A)
None
None
None
 1.47A 6mn1B-1n47A:
0.0		 6mn1B-1n47A:
15.25
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.
2bre ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASP A 142
ASP A  52
ASP A  79
THR A 171
THR A  58
 None
None
KJ2  A1214 (-2.8A)
KJ2  A1214 (-4.0A)
None
 1.15A 6mn1B-2breA:
0.0		 6mn1B-2breA:
21.71
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.
2cg9 ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASP A 142
ASP A  52
ASP A  79
THR A 171
THR A  58
 None
None
ATP  A1678 (-3.2A)
ATP  A1678 (-3.9A)
None
 1.11A 6mn1B-2cg9A:
0.0		 6mn1B-2cg9A:
8.77
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.
2oix XANTHOMONAS OUTER
PROTEIN D

(Xanthomonas
euvesicatoria) 		PF02902
(Peptidase_C48) 		5 TRP A 410
GLY A 471
ASP A 497
THR A 499
THR A 476
 None
 1.49A 6mn1B-2oixA:
0.0		 6mn1B-2oixA:
23.37
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ASP A 405
GLY A 665
TYR A 469
ASP A 348
THR A 349
 None
None
None
MVL  A 801 (-2.9A)
None
 1.49A 6mn1B-2wzsA:
0.0		 6mn1B-2wzsA:
8.04
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 ASP A 124
GLY A 129
ASP A 212
THR A 213
SER A 163
 UD1  A 501 (-3.4A)
None
None
None
UD1  A 501 (-2.4A)
 1.45A 6mn1B-3vcyA:
0.0		 6mn1B-3vcyA:
11.86
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 TYR A 572
ASP A 502
GLY A 504
ASP A 534
THR A 536
 MPD  A1207 (-4.6A)
None
None
None
None
 1.38A 6mn1B-3w5nA:
undetectable		 6mn1B-3w5nA:
5.85
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		5 ASP A 353
GLY A 349
ASP A 281
THR A 324
SER A 318
 None
 1.29A 6mn1B-4gwnA:
undetectable		 6mn1B-4gwnA:
10.53
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.
4lxo FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3) 		5 ASP A1498
TYR A1393
ASP A1337
THR A1344
THR A1415
 None
 1.21A 6mn1B-4lxoA:
undetectable		 6mn1B-4lxoA:
16.23
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.
4p5h CLAUDIN-2
HEAT-LABILE
ENTEROTOXIN B CHAIN

(Mus musculus;
Clostridium
perfringens) 		no annotation
PF03505
(Clenterotox) 		5 TYR A 139
ASP A  45
ASP 1 154
GLY A  47
THR A 107
 None
 1.29A 6mn1B-4p5hA:
undetectable		 6mn1B-4p5hA:
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 5 GLY A 670
TYR A 634
ASP A 503
THR A 567
SER A 665
 None
 1.36A 6mn1B-4qnlA:
undetectable		 6mn1B-4qnlA:
6.70
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ASP A2360
GLY A2294
TYR A2432
ASP A2487
THR A2485
 None
ADP  A4405 (-2.9A)
None
None
None
 1.49A 6mn1B-4rh7A:
undetectable		 6mn1B-4rh7A:
2.07
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.
4yga VHH-1B7

(Vicugna pacos) 		PF07686
(V-set) 		5 TRP B  37
GLY B  36
TYR B 111
THR B 100
SER B  33
 None
 1.46A 6mn1B-4ygaB:
undetectable		 6mn1B-4ygaB:
22.54
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.
4z0z AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 TYR A 128
GLY A 277
TYR A 283
ASP A 321
SER A  85
 None
 1.38A 6mn1B-4z0zA:
undetectable		 6mn1B-4z0zA:
14.41
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.
5a6d DNA POLYMERASE
SLIDING CLAMP

(Thermococcus
gammatolerans) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ASP A 215
GLY A 212
ASP A  50
THR A 240
THR A  19
 None
 0.87A 6mn1B-5a6dA:
undetectable		 6mn1B-5a6dA:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005

(uncultured
bacterium) 		PF02522
(Antibiotic_NAT) 		5 ASP A  64
TRP A  65
GLY A 115
TYR A 138
ASP A 213
 None
 1.26A 6mn1B-5ht0A:
43.8		 6mn1B-5ht0A:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005

(uncultured
bacterium) 		PF02522
(Antibiotic_NAT) 		10 TYR A  62
ASP A  64
TRP A  65
ASP A  69
GLY A 115
TYR A 138
ASP A 162
THR A 163
THR A 204
SER A 205
 COA  A 301 (-4.7A)
None
None
None
None
None
None
COA  A 301 (-3.9A)
None
None
 0.68A 6mn1B-5ht0A:
43.8		 6mn1B-5ht0A:
98.75
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.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 5 TYR A 468
ASP A 481
GLY A 483
TYR A  79
ASP A 475
 9UB  A 803 (-4.7A)
None
9UB  A 803 ( 3.8A)
9UB  A 803 (-4.4A)
MN  A 802 (-2.9A)
 1.44A 6mn1B-5oglA:
undetectable		 6mn1B-5oglA:
7.87
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.
5or7 CAPSID PROTEIN
CMRF35-LIKE MOLECULE
1

(Norwalk virus;
Mus musculus) 		no annotation
no annotation 		5 TYR C  34
ASP C  98
ASP A 410
ASP C  51
THR C  50
 None
NA  C 401 (-2.9A)
None
None
NA  C 402 (-3.0A)
 1.46A 6mn1B-5or7C:
undetectable		 6mn1B-5or7C:
19.75
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.
5tuc SUS TBC1D15 GAP
DOMAIN

(Sus scrofa) 		PF00566
(RabGAP-TBC) 		5 TYR A 435
ASP A 397
GLY A 438
ASP A 421
SER A 444
 None
 1.25A 6mn1B-5tucA:
undetectable		 6mn1B-5tucA:
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		5 ASP A 185
GLY A 316
ASP A 304
THR A 303
SER A 313
 None
 1.27A 6mn1B-5uibA:
undetectable		 6mn1B-5uibA:
14.02