SIMILAR PATTERNS OF AMINO ACIDS FOR 3VWP_A_ACAA503

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.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A  75
SER A  39
ASN A  71
GLY A  45
ILE A  44
 None
None
PLP  A 501 ( 3.9A)
None
None
 1.10A 3vwpA-1d6sA:
0.0		 3vwpA-1d6sA:
22.47
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.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		5 MET A 140
ASP A  26
ASN A  32
GLY A 216
ILE A 228
 None
 1.42A 3vwpA-2v9iA:
0.0		 3vwpA-2v9iA:
20.20
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		5 ALA A 111
ASP A 173
SER A 135
ASN A 112
GLY A 243
 None
PLP  A 600 (-3.5A)
PLP  A 600 ( 3.8A)
PLP  A 600 ( 4.7A)
None
 1.37A 3vwpA-2wk8A:
0.0		 3vwpA-2wk8A:
22.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		7 MET A 111
LYS A 115
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-3.1A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.20A 3vwpA-2zm2A:
68.8		 3vwpA-2zm2A:
97.96
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.
3d54 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 1

(Thermotoga
maritima) 		PF13507
(GATase_5) 		5 MET D 184
ALA D 171
SER D 166
ASN D 164
GLY D 172
 CYG  D  86 ( 3.4A)
None
None
None
None
 1.35A 3vwpA-3d54D:
0.0		 3vwpA-3d54D:
19.90
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.
3ehs FUSION PROTEIN OF
CRFR1 EXTRACELLULAR
DOMAIN AND MBP

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 ALA A-118
ASP A -53
TYR A-139
ASN A-115
GLY A-121
 None
 1.29A 3vwpA-3ehsA:
0.0		 3vwpA-3ehsA:
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.
3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING

(Geobacter
metallireducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 MET A 211
ALA A 212
ASN A 213
GLY A 209
ILE A 206
 None
GOL  A 290 (-3.7A)
None
None
GOL  A 290 ( 4.7A)
 1.21A 3vwpA-3pefA:
0.0		 3vwpA-3pefA:
20.62
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.
3rr2 CYSTEINE SYNTHASE

(Mycobacterium
marinum) 		PF00291
(PALP) 		5 ALA A  78
SER A  42
ASN A  74
GLY A  48
ILE A  47
 None
 1.21A 3vwpA-3rr2A:
0.0		 3vwpA-3rr2A:
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.
3zei O-ACETYLSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 ALA A  78
SER A  42
ASN A  74
GLY A  48
ILE A  47
 None
None
PLP  A1301 (-3.8A)
None
None
 1.15A 3vwpA-3zeiA:
0.0		 3vwpA-3zeiA:
22.92
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.
4gl8 OLIGOPEPTIDE ABC
TRANSPORTER OPPAIV

(Borreliella
burgdorferi) 		PF00496
(SBP_bac_5) 		5 ASP A  45
TYR A 117
SER A 116
GLY A  64
ILE A 184
 None
 1.49A 3vwpA-4gl8A:
undetectable		 3vwpA-4gl8A:
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		5 ALA X  76
SER X  40
ASN X  72
GLY X  46
ILE X  45
 LLP  X  42 ( 3.2A)
LLP  X  42 ( 3.0A)
LLP  X  42 ( 3.8A)
LLP  X  42 ( 3.7A)
LLP  X  42 ( 4.0A)
 1.05A 3vwpA-4li3X:
undetectable		 3vwpA-4li3X:
22.96
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.
4lma CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 ALA A  81
SER A  44
ASN A  77
GLY A  50
ILE A  49
 None
PLP  A 403 ( 4.7A)
PLP  A 403 (-3.9A)
None
None
 1.08A 3vwpA-4lmaA:
undetectable		 3vwpA-4lmaA:
20.39
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 ALA A  81
SER A  44
ASN A  77
GLY A  50
ILE A  49
 None
None
PLP  A 403 ( 3.7A)
None
None
 1.12A 3vwpA-4lmbA:
undetectable		 3vwpA-4lmbA:
22.00
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.
4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA

(Escherichia
coli;
Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		5 ALA A 232
ASP A 297
TYR A 211
ASN A 235
GLY A 229
 None
 1.31A 3vwpA-4pqkA:
undetectable		 3vwpA-4pqkA:
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF00342
(PGI) 		5 MET A 489
ASP A 103
TYR A 381
GLY A 524
ILE A  72
 None
 1.32A 3vwpA-4qfhA:
undetectable		 3vwpA-4qfhA:
22.22
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.
4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF01648
(ACPS)
PF13416
(SBP_bac_8) 		5 ALA A 232
ASP A 297
TYR A 211
ASN A 235
GLY A 229
 None
 1.30A 3vwpA-4qvhA:
undetectable		 3vwpA-4qvhA:
23.01
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.
5cxo EPOXIDE HYDROLASE

(Streptomyces
albus) 		PF12680
(SnoaL_2) 		5 MET A  87
ALA A  61
ASP A  38
SER A  57
ASN A  58
 P6G  A 202 (-3.1A)
None
P6G  A 202 (-3.8A)
P6G  A 202 (-3.2A)
P6G  A 202 (-3.2A)
 1.11A 3vwpA-5cxoA:
undetectable		 3vwpA-5cxoA:
17.05
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.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		5 ALA A 231
ASP A 296
TYR A 210
ASN A 234
GLY A 228
 None
 1.28A 3vwpA-5dfmA:
undetectable		 3vwpA-5dfmA:
19.18
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.
5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ALA C 231
ASP C 296
TYR C 210
ASN C 234
GLY C 228
 None
 1.32A 3vwpA-5jj4C:
undetectable		 3vwpA-5jj4C:
18.63
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.
5jy7 MALTOKINASE

(Mycolicibacterium
smegmatis) 		PF01636
(APH) 		5 MET I 192
ASP I 321
SER I 132
ASN I 133
GLY I 191
 None
 1.33A 3vwpA-5jy7I:
undetectable		 3vwpA-5jy7I:
24.74
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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 MET A 554
ALA A 553
ASN A 490
GLY A 565
ILE A 551
 None
None
ZN  A 805 ( 4.8A)
None
None
 1.40A 3vwpA-5m11A:
undetectable		 3vwpA-5m11A:
21.89
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.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		5 ALA A  78
SER A  42
ASN A  74
GLY A  48
ILE A  47
 LLP  A  44 ( 3.2A)
LLP  A  44 ( 3.1A)
LLP  A  44 ( 3.8A)
LLP  A  44 ( 3.7A)
LLP  A  44 ( 4.1A)
 1.15A 3vwpA-5xa2A:
undetectable		 3vwpA-5xa2A:
21.99