SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2K8'


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.
1FM4_A_DXCA1001_0
(MAJOR POLLEN
ALLERGEN BET V 1-L)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 PHE A 167
PHE A 170
THR A  90
ILE A 127
GLN A  13
 None
None
2K8  A 303 ( 2.9A)
None
2K8  A 303 (-3.4A)
 1.49A 1fm4A-4njiA:
undetectable		 1fm4A-4njiA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DTT_A_H4BA1003_1
(HYPOTHETICAL PROTEIN
PH0634)		 4ntm 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		6 / 10 HIS A  16
HIS A  31
HIS A  33
THR A  84
GLU A  86
GLU A 110
 ZN  A 201 ( 3.3A)
ZN  A 201 ( 3.2A)
ZN  A 201 ( 3.2A)
2K8  A 202 (-4.6A)
2K8  A 202 (-3.3A)
2K8  A 202 (-2.7A)
 0.61A 2dttA-4ntmA:
16.1
2dttC-4ntmA:
16.0		 2dttA-4ntmA:
35.20
2dttC-4ntmA:
35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DTT_D_H4BD1006_1
(HYPOTHETICAL PROTEIN
PH0634)		 4ntm 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		6 / 10 HIS A  16
HIS A  31
HIS A  33
THR A  84
GLU A  86
GLU A 110
 ZN  A 201 ( 3.3A)
ZN  A 201 ( 3.2A)
ZN  A 201 ( 3.2A)
2K8  A 202 (-4.6A)
2K8  A 202 (-3.3A)
2K8  A 202 (-2.7A)
 0.71A 2dttD-4ntmA:
15.9
2dttF-4ntmA:
16.0		 2dttD-4ntmA:
35.20
2dttF-4ntmA:
35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DTT_E_H4BE1004_1
(HYPOTHETICAL PROTEIN
PH0634)		 4ntm 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		6 / 11 HIS A  16
HIS A  31
HIS A  33
THR A  84
GLU A  86
GLU A 110
 ZN  A 201 ( 3.3A)
ZN  A 201 ( 3.2A)
ZN  A 201 ( 3.2A)
2K8  A 202 (-4.6A)
2K8  A 202 (-3.3A)
2K8  A 202 (-2.7A)
 0.67A 2dttD-4ntmA:
15.9
2dttE-4ntmA:
16.9		 2dttD-4ntmA:
35.20
2dttE-4ntmA:
35.20
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		4 / 8 CYH A  49
THR A  90
GLU A  93
VAL A 151
 SF4  A 301 ( 2.2A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SAM  A 302 (-4.5A)
 0.67A 2fb2A-4njiA:
8.7		 2fb2A-4njiA:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJG_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.44A 4njgA-4njiA:
38.8		 4njgA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJG_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 GLU A  15
THR A  90
GLU A  93
ASN A 118
GLN A 202
 2K8  A 303 (-3.6A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.3A)
 1.30A 4njgA-4njiA:
38.8		 4njgA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJG_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
ASN A 118
SER A 133
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-2.8A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.42A 4njgB-4njiA:
38.8		 4njgB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJG_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 GLU A  15
THR A  90
GLU A  93
ASN A 118
GLN A 202
 2K8  A 303 (-3.6A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.3A)
 1.29A 4njgB-4njiA:
38.8		 4njgB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJH_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.09A 4njhA-4njiA:
39.7		 4njhA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJH_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.09A 4njhB-4njiA:
39.5		 4njhB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJI_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.04A 4njiA-4njiA:
40.7		 4njiA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJI_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.10A 4njiB-4njiA:
39.5		 4njiB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJJ_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.12A 4njjA-4njiA:
39.2		 4njjA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJJ_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.13A 4njjB-4njiA:
39.1		 4njjB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJJ_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		6 / 12 GLU A  15
THR A  51
THR A  90
GLU A  93
ASN A 118
GLN A 173
 2K8  A 303 (-3.6A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-4.0A)
 1.45A 4njjB-4njiA:
39.1		 4njjB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJK_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.13A 4njkA-4njiA:
39.6		 4njkA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJK_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.14A 4njkB-4njiA:
39.4		 4njkB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJK_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		6 / 12 GLU A  15
THR A  51
THR A  90
GLU A  93
ASN A 118
GLN A 173
 2K8  A 303 (-3.6A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-4.0A)
 1.38A 4njkB-4njiA:
39.4		 4njkB-4njiA:
100.00
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.
4PL1_A_SAMA401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 11 PHE A  48
GLU A 116
SER A 133
ILE A 152
ASN A 183
 SAM  A 302 (-4.8A)
2K8  A 303 ( 3.9A)
SAM  A 302 (-2.8A)
None
None
 1.36A 4pl1A-4njiA:
7.5		 4pl1A-4njiA:
22.68