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Magnesium in PDB 4kvi: Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium

Enzymatic activity of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium

All present enzymatic activity of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium:
4.2.3.9;

Protein crystallography data

The structure of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium, PDB code: 4kvi was solved by M.Chen, J.A.Faraldos, N.Al-Lami, M.Janvier, E.L.D'antonio, D.E.Cane, R.K.Allemann, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.15
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 123.397, 123.397, 201.605, 90.00, 90.00, 120.00
R / Rfree (%) 20.8 / 24

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium (pdb code 4kvi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium, PDB code: 4kvi:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 12 in 4kvi

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Magnesium binding site 1 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:12.2
occ:1.00
 O2 A:POP704 2.0 11.6 1.0
O A:HOH1031 2.1 18.7 1.0
O A:HOH1026 2.1 6.9 1.0
O A:HOH1027 2.2 15.5 1.0
O A:HOH1028 2.2 17.1 1.0
OD1 A:ASP84 2.3 8.4 1.0
CG A:ASP84 3.2 9.3 1.0
MG A:MG702 3.2 13.9 1.0
P1 A:POP704 3.2 8.2 1.0
OD2 A:ASP84 3.4 8.7 1.0
O3 A:POP704 3.5 12.7 1.0
O A:HOH1065 3.8 17.0 1.0
NH2 A:ARG169 4.1 14.8 1.0
OD2 A:ASP172 4.1 8.1 1.0
O1 A:POP704 4.1 9.3 1.0
O A:HOH1030 4.2 6.8 1.0
OD1 A:ASP172 4.2 6.5 1.0
O A:HOH1025 4.2 16.4 1.0
O A:HOH1106 4.3 19.9 1.0
O A:POP704 4.4 6.1 1.0
NE2 A:GLN151 4.5 10.3 1.0
CG A:ASP172 4.5 8.5 1.0
CB A:ASP84 4.6 9.6 1.0
C12 A:1SV705 4.7 7.8 1.0
O A:ASP172 4.7 6.3 1.0
O6 A:POP704 4.8 15.1 1.0
O A:HOH1029 5.0 11.4 1.0

Magnesium binding site 2 out of 12 in 4kvi

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Magnesium binding site 2 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg702

b:13.9
occ:1.00
 O6 A:POP704 2.0 15.1 1.0
O2 A:POP704 2.1 11.6 1.0
OD2 A:ASP84 2.1 8.7 1.0
O A:HOH1030 2.1 6.8 1.0
O A:HOH1029 2.2 11.4 1.0
O A:HOH1028 2.3 17.1 1.0
CG A:ASP84 3.1 9.3 1.0
MG A:MG701 3.2 12.2 1.0
P1 A:POP704 3.2 8.2 1.0
P2 A:POP704 3.3 7.9 1.0
O A:POP704 3.4 6.1 1.0
OD1 A:ASP84 3.5 8.4 1.0
NZ A:LYS220 3.8 9.2 1.0
O1 A:POP704 3.9 9.3 1.0
OE2 A:GLU88 4.0 17.4 1.0
NH2 A:ARG308 4.0 8.4 1.0
O4 A:POP704 4.1 10.1 1.0
OE2 A:GLU221 4.3 6.9 1.0
O A:HOH1066 4.3 33.5 1.0
O A:HOH1026 4.4 6.9 1.0
O5 A:POP704 4.4 9.0 1.0
O3 A:POP704 4.5 12.7 1.0
CB A:ASP84 4.5 9.6 1.0
O A:HOH1065 4.5 17.0 1.0
OD1 A:ASP85 4.5 12.3 1.0
O A:ASP84 4.7 10.5 1.0
MG A:MG703 4.8 12.8 1.0
CD A:GLU88 4.8 17.7 1.0
O A:HOH1025 4.8 16.4 1.0
O A:HOH1027 4.9 15.5 1.0
O A:HOH839 4.9 16.4 1.0
C A:ASP84 5.0 10.4 1.0
CE A:LYS220 5.0 11.3 1.0

Magnesium binding site 3 out of 12 in 4kvi

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Magnesium binding site 3 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg703

b:12.8
occ:1.00
 O1 A:POP704 2.0 9.3 1.0
O4 A:POP704 2.0 10.1 1.0
OE2 A:GLU221 2.1 6.9 1.0
O A:HOH1024 2.2 11.9 1.0
OD1 A:ASN213 2.2 7.9 1.0
OG A:SER217 2.4 6.0 1.0
CD A:GLU221 3.1 10.4 1.0
CG A:ASN213 3.2 9.7 1.0
CB A:SER217 3.2 9.7 1.0
P2 A:POP704 3.3 7.9 1.0
P1 A:POP704 3.3 8.2 1.0
ND2 A:ASN213 3.5 11.7 1.0
O A:POP704 3.6 6.1 1.0
OE1 A:GLU221 3.6 7.3 1.0
O A:HOH1030 3.8 6.8 1.0
O A:HOH1025 3.8 16.4 1.0
O6 A:POP704 4.0 15.1 1.0
O A:ASN213 4.1 5.7 1.0
O2 A:POP704 4.2 11.6 1.0
CG A:GLU221 4.3 8.6 1.0
NH1 A:ARG169 4.3 12.2 1.0
O3 A:POP704 4.4 12.7 1.0
C A:ASN213 4.4 6.7 1.0
OD1 A:ASP214 4.4 10.1 1.0
CB A:ASN213 4.5 11.7 1.0
O5 A:POP704 4.5 9.0 1.0
CA A:SER217 4.6 10.2 1.0
N A:ASP214 4.7 7.6 1.0
CA A:ASP214 4.8 10.2 1.0
MG A:MG702 4.8 13.9 1.0
O A:HOH803 4.9 12.2 1.0
O A:SER217 4.9 11.3 1.0
NH2 A:ARG169 5.0 14.8 1.0
C A:SER217 5.0 13.9 1.0

Magnesium binding site 4 out of 12 in 4kvi

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Magnesium binding site 4 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg701

b:10.7
occ:1.00
 O5 B:POP704 2.0 12.6 1.0
O2 B:POP704 2.0 10.2 1.0
OD2 B:ASP84 2.1 6.9 1.0
O B:HOH1034 2.1 3.8 1.0
O B:HOH1101 2.1 6.0 1.0
O B:HOH1033 2.4 12.3 1.0
CG B:ASP84 3.1 9.7 1.0
MG B:MG702 3.2 13.6 1.0
P1 B:POP704 3.3 6.3 1.0
P2 B:POP704 3.3 6.6 1.0
OD1 B:ASP84 3.4 7.5 1.0
O B:POP704 3.6 7.5 1.0
NZ B:LYS220 3.9 9.7 1.0
O3 B:POP704 3.9 8.0 1.0
OE2 B:GLU88 3.9 9.8 1.0
NH2 B:ARG308 4.1 8.9 1.0
O B:HOH1091 4.3 33.8 1.0
O B:HOH1035 4.3 7.2 1.0
O6 B:POP704 4.3 8.6 1.0
O4 B:POP704 4.3 9.1 1.0
OE2 B:GLU221 4.4 10.2 1.0
CB B:ASP84 4.4 10.6 1.0
O B:HOH1103 4.4 15.2 1.0
O1 B:POP704 4.5 7.9 1.0
O B:ASP84 4.6 9.0 1.0
OD1 B:ASP85 4.6 9.6 1.0
O B:HOH1037 4.8 7.1 1.0
CD B:GLU88 4.8 12.8 1.0
O B:HOH1031 4.8 16.1 1.0
O B:HOH801 4.8 6.3 1.0
MG B:MG703 4.9 11.2 1.0
C B:ASP84 4.9 10.1 1.0
O B:HOH1036 5.0 9.6 1.0

Magnesium binding site 5 out of 12 in 4kvi

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Magnesium binding site 5 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg702

b:13.6
occ:1.00
 O B:HOH1037 2.1 7.1 1.0
O2 B:POP704 2.1 10.2 1.0
O B:HOH1036 2.2 9.6 1.0
O B:HOH1035 2.2 7.2 1.0
OD1 B:ASP84 2.2 7.5 1.0
O B:HOH1033 2.2 12.3 1.0
CG B:ASP84 3.1 9.7 1.0
P1 B:POP704 3.2 6.3 1.0
MG B:MG701 3.2 10.7 1.0
OD2 B:ASP84 3.4 6.9 1.0
O1 B:POP704 3.4 7.9 1.0
O B:HOH1103 3.7 15.2 1.0
OD2 B:ASP172 4.0 10.1 1.0
O3 B:POP704 4.0 8.0 1.0
OD1 B:ASP172 4.2 5.2 1.0
O B:HOH1101 4.3 6.0 1.0
O B:HOH1031 4.4 16.1 1.0
NE2 B:GLN151 4.4 13.0 1.0
O B:HOH1090 4.4 24.7 1.0
O B:POP704 4.5 7.5 1.0
CB B:ASP84 4.5 10.6 1.0
CG B:ASP172 4.5 9.9 1.0
NH2 B:ARG169 4.6 31.9 1.0
O5 B:POP704 4.7 12.6 1.0
C12 B:1SV705 4.7 11.1 1.0
O B:ASP172 4.7 4.5 1.0
NH1 B:ARG169 4.8 28.7 1.0
O B:HOH1034 4.9 3.8 1.0
NH2 B:ARG156 4.9 22.4 1.0

Magnesium binding site 6 out of 12 in 4kvi

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Magnesium binding site 6 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg703

b:11.2
occ:1.00
 OE2 B:GLU221 2.0 10.2 1.0
O3 B:POP704 2.1 8.0 1.0
O6 B:POP704 2.1 8.6 1.0
O B:HOH1032 2.2 7.2 1.0
OD1 B:ASN213 2.2 7.8 1.0
OG B:SER217 2.4 6.5 1.0
CD B:GLU221 3.1 12.4 1.0
CG B:ASN213 3.1 10.8 1.0
P2 B:POP704 3.2 6.6 1.0
O B:POP704 3.3 7.5 1.0
P1 B:POP704 3.3 6.3 1.0
CB B:SER217 3.3 11.4 1.0
ND2 B:ASN213 3.5 6.7 1.0
OE1 B:GLU221 3.6 10.6 1.0
O B:HOH1031 3.7 16.1 1.0
O5 B:POP704 3.7 12.6 1.0
O B:HOH1101 3.8 6.0 1.0
NH2 B:ARG169 3.9 31.9 1.0
O B:ASN213 4.1 6.8 1.0
O2 B:POP704 4.2 10.2 1.0
CG B:GLU221 4.3 12.3 1.0
O1 B:POP704 4.3 7.9 1.0
C B:ASN213 4.4 13.1 1.0
OD1 B:ASP214 4.5 6.3 1.0
CB B:ASN213 4.5 6.5 1.0
O4 B:POP704 4.5 9.1 1.0
N B:ASP214 4.7 7.5 1.0
CA B:SER217 4.7 10.8 1.0
CA B:ASP214 4.8 9.6 1.0
O B:SER217 4.8 9.1 1.0
MG B:MG701 4.9 10.7 1.0
O B:HOH1099 4.9 40.8 1.0
O B:HOH817 4.9 12.7 1.0
C B:SER217 5.0 8.7 1.0

Magnesium binding site 7 out of 12 in 4kvi

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Magnesium binding site 7 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg402

b:19.6
occ:1.00
 O C:HOH623 2.0 14.2 1.0
O2 C:POP401 2.1 15.1 1.0
O C:HOH628 2.1 19.8 1.0
O C:HOH627 2.1 20.4 1.0
O C:HOH629 2.1 21.6 1.0
OD1 C:ASP84 2.2 17.9 1.0
MG C:MG403 3.1 19.8 1.0
CG C:ASP84 3.1 17.7 1.0
P1 C:POP401 3.2 12.7 1.0
OD2 C:ASP84 3.4 15.6 1.0
O3 C:POP401 3.6 15.3 1.0
O C:HOH529 3.7 22.9 1.0
OD2 C:ASP172 4.0 15.5 1.0
O1 C:POP401 4.1 18.1 1.0
O C:HOH624 4.1 14.3 1.0
O C:HOH611 4.2 24.2 1.0
OD1 C:ASP172 4.3 12.3 1.0
O C:HOH520 4.3 24.5 1.0
O C:POP401 4.4 15.0 1.0
CB C:ASP84 4.5 17.7 1.0
NE2 C:GLN151 4.5 16.1 1.0
CG C:ASP172 4.5 16.4 1.0
O C:ASP172 4.7 10.2 1.0
O6 C:POP401 4.7 14.8 1.0
O C:HOH625 4.8 19.9 1.0
NH1 C:ARG169 4.8 23.6 1.0
C12 C:1SV405 4.8 13.5 1.0

Magnesium binding site 8 out of 12 in 4kvi

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Magnesium binding site 8 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg403

b:19.8
occ:1.00
 O2 C:POP401 2.0 15.1 1.0
O6 C:POP401 2.0 14.8 1.0
O C:HOH625 2.0 19.9 1.0
O C:HOH624 2.1 14.3 1.0
O C:HOH627 2.1 20.4 1.0
OD2 C:ASP84 2.2 15.6 1.0
MG C:MG402 3.1 19.6 1.0
CG C:ASP84 3.2 17.7 1.0
P1 C:POP401 3.2 12.7 1.0
P2 C:POP401 3.3 14.8 1.0
O C:POP401 3.4 15.0 1.0
OD1 C:ASP84 3.5 17.9 1.0
O1 C:POP401 3.7 18.1 1.0
OE2 C:GLU88 3.8 23.2 1.0
NZ C:LYS220 3.8 16.6 1.0
O4 C:POP401 4.1 15.7 1.0
NH2 C:ARG308 4.1 15.8 1.0
O C:HOH629 4.3 21.6 1.0
OE2 C:GLU221 4.4 19.9 1.0
O5 C:POP401 4.4 13.3 1.0
O C:HOH529 4.4 22.9 1.0
O3 C:POP401 4.4 15.3 1.0
CB C:ASP84 4.5 17.7 1.0
OD1 C:ASP85 4.6 20.8 1.0
O C:HOH623 4.6 14.2 1.0
O C:ASP84 4.6 17.1 1.0
O C:HOH611 4.6 24.2 1.0
O C:HOH556 4.8 31.6 1.0
O C:HOH628 4.8 19.8 1.0
CD C:GLU88 4.8 22.1 1.0
MG C:MG404 4.8 13.8 1.0
C C:ASP84 5.0 17.3 1.0
CE C:LYS220 5.0 19.4 1.0

Magnesium binding site 9 out of 12 in 4kvi

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Magnesium binding site 9 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg404

b:13.8
occ:1.00
 OE2 C:GLU221 2.0 19.9 1.0
O4 C:POP401 2.0 15.7 1.0
OD1 C:ASN213 2.1 14.4 1.0
O1 C:POP401 2.1 18.1 1.0
O C:HOH626 2.1 21.5 1.0
OG C:SER217 2.4 16.5 1.0
CG C:ASN213 3.1 14.9 1.0
CD C:GLU221 3.1 22.5 1.0
CB C:SER217 3.2 21.2 1.0
P2 C:POP401 3.3 14.8 1.0
P1 C:POP401 3.4 12.7 1.0
ND2 C:ASN213 3.4 13.4 1.0
O C:POP401 3.6 15.0 1.0
OE1 C:GLU221 3.6 23.9 1.0
NH2 C:ARG169 3.7 20.3 1.0
O C:HOH611 3.8 24.2 1.0
O6 C:POP401 4.0 14.8 1.0
O C:ASN213 4.1 18.1 1.0
O C:HOH624 4.1 14.3 1.0
CG C:GLU221 4.3 22.2 1.0
C C:ASN213 4.3 17.9 1.0
O2 C:POP401 4.3 15.1 1.0
O3 C:POP401 4.4 15.3 1.0
CB C:ASN213 4.4 14.9 1.0
OD1 C:ASP214 4.4 19.3 1.0
O5 C:POP401 4.5 13.3 1.0
CA C:SER217 4.6 21.2 1.0
N C:ASP214 4.6 16.4 1.0
CA C:ASP214 4.8 17.9 1.0
O C:SER217 4.8 25.2 1.0
MG C:MG403 4.8 19.8 1.0
C C:SER217 4.9 22.4 1.0
O C:HOH509 4.9 23.3 1.0
CA C:ASN213 5.0 17.8 1.0
CZ C:ARG169 5.0 24.0 1.0
OH C:TYR309 5.0 14.0 1.0

Magnesium binding site 10 out of 12 in 4kvi

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Magnesium binding site 10 out of 12 in the Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of Aspergillus Terreus Aristolochene Synthase Complexed with (4AS,7S)-4A-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4A,5,6,7, 8-Octahydroquinolin-1-Ium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg402

b:18.6
occ:1.00
 O2 D:POP401 2.0 19.2 1.0
O D:HOH585 2.0 21.5 1.0
O D:HOH590 2.1 17.5 1.0
O D:HOH586 2.1 23.5 1.0
OD1 D:ASP84 2.2 20.1 1.0
O D:HOH581 2.3 13.3 1.0
CG D:ASP84 3.0 19.8 1.0
MG D:MG403 3.0 18.4 1.0
OD2 D:ASP84 3.1 18.8 1.0
P1 D:POP401 3.2 18.0 1.0
O3 D:POP401 3.5 21.7 1.0
O D:HOH587 3.8 51.8 1.0
O D:HOH582 3.8 26.0 1.0
OD2 D:ASP172 4.1 19.5 1.0
O D:HOH591 4.2 19.1 1.0
O1 D:POP401 4.2 20.4 1.0
NH2 D:ARG169 4.2 22.0 1.0
O D:POP401 4.3 16.8 1.0
CB D:ASP84 4.4 20.3 1.0
C12 D:1SV405 4.4 26.6 1.0
O D:HOH588 4.5 24.9 1.0
NE2 D:GLN151 4.5 17.6 1.0
OD1 D:ASP172 4.5 17.3 1.0
O4 D:POP401 4.5 11.3 1.0
O D:HOH528 4.7 33.8 1.0
CG D:ASP172 4.7 19.0 1.0
O D:HOH589 4.8 17.5 1.0
O D:ASP172 4.8 19.4 1.0

Reference:

M.Chen, N.Al-Lami, M.Janvier, E.L.D'antonio, J.A.Faraldos, D.E.Cane, R.K.Allemann, D.W.Christianson. Mechanistic Insights From the Binding of Substrate and Carbocation Intermediate Analogues to Aristolochene Synthase. Biochemistry V. 52 5441 2013.
ISSN: ISSN 0006-2960
PubMed: 23905850
DOI: 10.1021/BI400691V
Page generated: Sat Aug 17 04:02:34 2024

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