SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '16A'


List of Similar Pattern of Amino Acids


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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
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.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 8 THR A 168
GLY A 137
GLY A 143
PHE A 139
GLY A 203
None
CO3  A 902 (-3.1A)
None
None
16A  A1901 ( 3.7A)
1.39A 1jhqA-1tpyA:
undetectable
1jhqA-1tpyA:
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.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 8 THR A 168
GLY A 137
GLY A 143
PHE A 139
GLY A 203
None
CO3  A 902 (-3.1A)
None
None
16A  A1901 ( 3.7A)
1.36A 1jhvA-1tpyA:
undetectable
1jhvA-1tpyA:
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.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris)
5 / 9 GLY A 437
GLY A  63
LEU A  65
SER A  93
GLY A 257
16A  A 504 ( 3.8A)
FAD  A 501 (-3.3A)
FAD  A 501 (-3.7A)
FAD  A 501 (-2.5A)
FAD  A 501 (-3.4A)
1.07A 1l4nA-5hxwA:
undetectable
1l4nA-5hxwA:
23.71
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.
1VE3_A_SAMA302_0
(HYPOTHETICAL PROTEIN
PH0226)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 12 TYR A  16
GLY A  74
ILE A 136
HIS A 141
PHE A 142
SAH  A1900 ( 4.1A)
SAH  A1900 (-3.3A)
SAH  A1900 (-3.6A)
16A  A1901 ( 4.2A)
SAH  A1900 (-4.6A)
1.11A 1ve3A-1tpyA:
17.0
1ve3A-1tpyA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
12 / 12 THR A  32
TYR A  33
ILE A  71
GLY A  72
GLY A  74
LEU A  95
GLY A 122
TRP A 123
GLU A 124
ILE A 136
ALA A 138
HIS A 141
SAH  A1900 (-4.1A)
16A  A1901 ( 3.5A)
None
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.3A)
SAH  A1900 (-3.1A)
SAH  A1900 (-4.5A)
SAH  A1900 (-3.1A)
SAH  A1900 (-3.6A)
SAH  A1900 (-3.1A)
16A  A1901 ( 4.2A)
0.52A 2fk8A-1tpyA:
39.7
2fk8A-1tpyA:
51.57
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.
2GLU_A_SAMA301_0
(YCGJ)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 12 GLY A  72
GLY A  74
THR A  78
GLU A 124
HIS A 141
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
None
SAH  A1900 (-3.1A)
16A  A1901 ( 4.2A)
0.89A 2gluA-1tpyA:
18.2
2gluA-1tpyA:
21.04
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.
2GLU_B_SAMB302_0
(YCGJ)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 12 GLY A  72
GLY A  74
ALA A 138
HIS A 141
PHE A 142
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-3.1A)
16A  A1901 ( 4.2A)
SAH  A1900 (-4.6A)
0.72A 2gluB-1tpyA:
18.2
2gluB-1tpyA:
21.04
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.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris)
5 / 12 GLY A  98
GLY A 437
GLY A 439
THR A 436
ILE A 413
FAD  A 501 (-3.8A)
16A  A 504 ( 3.8A)
FAD  A 501 (-3.1A)
FAD  A 501 (-4.0A)
16A  A 504 ( 4.1A)
0.84A 2oxtA-5hxwA:
undetectable
2oxtA-5hxwA:
19.96
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.
2OXT_B_SAMB300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris)
5 / 12 GLY A  98
GLY A 437
GLY A 439
THR A 436
ILE A 413
FAD  A 501 (-3.8A)
16A  A 504 ( 3.8A)
FAD  A 501 (-3.1A)
FAD  A 501 (-4.0A)
16A  A 504 ( 4.1A)
0.79A 2oxtB-5hxwA:
2.4
2oxtB-5hxwA:
19.96
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.
3EM4_A_DR7A100_2
(PROTEASE)
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris)
5 / 9 ALA A 276
GLY A 409
PRO A 314
VAL A 316
ILE A 317
16A  A 504 ( 3.9A)
FAD  A 501 (-3.7A)
None
None
16A  A 504 ( 4.7A)
1.08A 3em4B-5hxwA:
undetectable
3em4B-5hxwA:
14.22
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 12 TYR A  16
GLY A  74
LEU A  95
SER A  96
HIS A 141
SAH  A1900 ( 4.1A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.3A)
None
16A  A1901 ( 4.2A)
0.70A 3pfgA-1tpyA:
14.9
3pfgA-1tpyA:
23.00
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 12 TYR A  33
HIS A  15
LEU A 243
LEU A 266
ALA A 250
16A  A1901 ( 3.5A)
None
None
None
None
1.09A 3vw7A-1tpyA:
undetectable
3vw7A-1tpyA:
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.
4KRH_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
6 / 12 TYR A  16
GLY A  72
GLY A  74
LEU A  95
SER A  96
HIS A 141
SAH  A1900 ( 4.1A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.3A)
None
16A  A1901 ( 4.2A)
0.80A 4krhA-1tpyA:
27.5
4krhA-1tpyA:
20.53
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
6 / 12 TYR A  16
GLY A  72
GLY A  74
LEU A  95
SER A  96
HIS A 141
SAH  A1900 ( 4.1A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.3A)
None
16A  A1901 ( 4.2A)
0.81A 4krhB-1tpyA:
27.6
4krhB-1tpyA:
20.53
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.
4LL3_A_017A202_2
(PROTEASE)
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris)
5 / 9 ALA A 276
GLY A 409
PRO A 314
VAL A 316
ILE A 317
16A  A 504 ( 3.9A)
FAD  A 501 (-3.7A)
None
None
16A  A 504 ( 4.7A)
1.23A 4ll3B-5hxwA:
undetectable
4ll3B-5hxwA:
13.53
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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
4 / 6 ILE A 169
ILE A 195
PHE A 273
LEU A 236
CO3  A 902 ( 4.6A)
16A  A1901 (-4.3A)
None
16A  A1901 (-4.8A)
0.98A 4m51A-1tpyA:
undetectable
4m51A-1tpyA:
19.96
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.
4QDJ_A_SAMA301_0
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 12 VAL A  12
GLY A  72
GLY A  74
SER A  96
HIS A 141
SAH  A1900 (-4.8A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
None
16A  A1901 ( 4.2A)
0.85A 4qdjA-1tpyA:
18.1
4qdjA-1tpyA:
20.86
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.
4ZZC_A_ACTA401_0
(PROTON-GATED ION
CHANNEL)
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris)
4 / 6 ILE A 317
PHE A 341
ILE A 413
GLU A 417
16A  A 504 ( 4.7A)
None
16A  A 504 ( 4.1A)
16A  A 504 (-4.0A)
1.07A 4zzcA-5hxwA:
undetectable
4zzcB-5hxwA:
undetectable
4zzcA-5hxwA:
21.83
4zzcB-5hxwA:
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.
4ZZC_B_ACTB401_0
(PROTON-GATED ION
CHANNEL)
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris)
4 / 6 ILE A 317
PHE A 341
ILE A 413
GLU A 417
16A  A 504 ( 4.7A)
None
16A  A 504 ( 4.1A)
16A  A 504 (-4.0A)
1.09A 4zzcB-5hxwA:
undetectable
4zzcC-5hxwA:
undetectable
4zzcB-5hxwA:
21.83
4zzcC-5hxwA:
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis)
6 / 12 SER A  34
GLY A  72
GLY A  74
THR A  94
GLN A  99
HIS A 141
SAH  A1900 ( 2.7A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.1A)
SAH  A1900 (-3.0A)
16A  A1901 ( 4.2A)
0.69A 5kocB-1tpyA:
27.7
5kocB-1tpyA:
22.72