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Magnesium in PDB 1ykv: Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene

Protein crystallography data

The structure of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene, PDB code: 1ykv was solved by A.Serganov, S.Keiper, L.Malinina, V.Tereshko, E.Skripkin, C.Hobartner, A.Polonskaia, A.T.Phan, R.Wombacher, R.Micura, Z.Dauter, A.Jaschke, D.J.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 78.288, 44.039, 79.998, 90.00, 106.87, 90.00
R / Rfree (%) 22.8 / 26.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene (pdb code 1ykv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene, PDB code: 1ykv:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in 1ykv

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Magnesium binding site 1 out of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene


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 the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg240

b:7.0
occ:1.00
OP1 B:U234 2.3 24.6 1.0
P B:U234 3.5 23.9 1.0
O6 B:G236 3.9 23.3 1.0
O6 B:G237 3.9 25.3 1.0
OP2 B:U234 4.0 23.5 1.0
N7 B:G236 4.1 22.9 1.0
O5' B:U234 4.1 22.9 1.0
N7 B:G237 4.2 24.9 1.0
N4 B:C235 4.2 22.3 1.0
C5' B:U234 4.5 22.8 1.0
C6 B:G236 4.5 23.4 1.0
C4 B:C235 4.5 23.0 1.0
C5 B:G236 4.6 23.2 1.0
C6 B:G237 4.7 24.5 1.0
C5 B:C235 4.7 23.2 1.0
O3' B:C233 4.8 23.5 1.0
C5 B:G237 4.8 24.4 1.0

Magnesium binding site 2 out of 7 in 1ykv

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Magnesium binding site 2 out of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene


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 the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg241

b:13.8
occ:1.00
OP2 B:C233 2.2 25.7 1.0
P B:C233 3.4 24.6 1.0
OP1 B:C233 3.9 23.4 1.0
N4 B:C210 4.3 23.4 1.0
C5' B:C233 4.4 24.1 1.0
C3' B:A232 4.4 24.2 1.0
O3' B:A232 4.5 24.0 1.0
C2' B:A232 4.5 24.6 1.0
O5' B:C233 4.5 23.8 1.0
O6 B:G211 4.5 22.3 1.0
OP2 B:U234 4.6 23.5 1.0
OP2 B:G208 4.8 23.5 1.0
O2' B:A232 4.8 25.0 1.0
N4 B:C235 5.0 22.3 1.0

Magnesium binding site 3 out of 7 in 1ykv

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Magnesium binding site 3 out of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene


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 the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg242

b:15.3
occ:1.00
OP2 B:A216 2.1 22.7 1.0
P B:A216 3.3 22.7 1.0
O5' B:A216 3.5 22.6 1.0
N7 B:G217 3.5 23.7 1.0
N7 B:A216 3.7 23.6 1.0
C8 B:A216 3.9 23.8 1.0
OP1 B:A216 4.0 22.8 1.0
C8 B:G217 4.4 23.6 1.0
O6 B:G217 4.5 22.7 1.0
O3' B:C215 4.5 23.0 1.0
OP2 B:G217 4.5 24.9 1.0
C5 B:G217 4.6 23.2 1.0
C3' B:C215 4.7 23.5 1.0
C5 B:A216 4.8 23.4 1.0
C5' B:A216 4.9 22.6 1.0
O5' B:C215 4.9 23.8 1.0
C6 B:G217 4.9 23.1 1.0

Magnesium binding site 4 out of 7 in 1ykv

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Magnesium binding site 4 out of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene


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 the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg246

b:8.7
occ:1.00
OP1 D:G213 2.0 23.4 1.0
OP1 B:G213 2.1 22.6 1.0
P D:G213 3.5 23.0 1.0
P B:G213 3.6 22.4 1.0
O3' D:U212 4.3 23.5 1.0
OP2 D:G213 4.4 22.0 1.0
O5' D:G213 4.4 22.4 1.0
O3' B:U212 4.4 23.0 1.0
OP2 B:G213 4.5 22.4 1.0
C5' D:G213 4.5 22.7 1.0
O5' B:G213 4.5 21.9 1.0
C5' B:G213 4.6 22.7 1.0

Magnesium binding site 5 out of 7 in 1ykv

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Magnesium binding site 5 out of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene


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 the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg340

b:6.8
occ:1.00
OP1 D:U234 2.2 24.3 1.0
P D:U234 3.3 24.1 1.0
OP2 D:U234 3.7 23.2 1.0
O6 D:G236 3.9 23.3 1.0
O6 D:G237 4.0 24.8 1.0
O5' D:U234 4.1 23.4 1.0
N7 D:G237 4.2 23.8 1.0
N4 D:C235 4.2 22.4 1.0
N7 D:G236 4.2 23.2 1.0
C6 D:G236 4.4 23.4 1.0
C4 D:C235 4.5 22.9 1.0
C5 D:G236 4.5 23.4 1.0
O3' D:C233 4.6 23.7 1.0
C5 D:C235 4.6 23.2 1.0
C5' D:U234 4.7 22.7 1.0
C6 D:G237 4.8 23.9 1.0
C5 D:G237 4.9 23.8 1.0

Magnesium binding site 6 out of 7 in 1ykv

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Magnesium binding site 6 out of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene


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 the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg341

b:13.9
occ:1.00
OP2 D:C233 2.1 24.2 1.0
N4 D:C210 3.6 24.8 1.0
P D:C233 3.6 23.0 1.0
C5' D:C233 3.8 24.0 1.0
O5' D:C233 4.2 23.3 1.0
OP2 D:U234 4.4 23.2 1.0
O6 D:G211 4.4 21.3 1.0
C3' D:A232 4.4 23.3 1.0
O3' D:A232 4.5 22.8 1.0
OP1 D:C233 4.6 22.0 1.0
C2' D:A232 4.6 23.3 1.0
C4 D:C210 4.6 24.9 1.0
OP2 D:G208 4.8 24.2 1.0
C5 D:C210 4.8 25.0 1.0
O2' D:A232 4.8 23.4 1.0
N4 D:C235 5.0 22.4 1.0

Magnesium binding site 7 out of 7 in 1ykv

Go back to Magnesium Binding Sites List in 1ykv
Magnesium binding site 7 out of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene


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 the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg342

b:8.3
occ:1.00
OP2 D:A216 2.1 23.1 1.0
P D:A216 3.3 23.3 1.0
O6 D:G217 3.4 22.7 1.0
N7 D:G217 3.6 23.7 1.0
O5' D:A216 3.7 23.6 1.0
N7 D:A216 3.8 25.1 1.0
C8 D:A216 4.0 25.1 1.0
OP1 D:A216 4.1 23.1 1.0
C6 D:G217 4.2 23.1 1.0
OP2 D:G217 4.3 24.4 1.0
C5 D:G217 4.3 23.4 1.0
O3' D:C215 4.6 23.2 1.0
C8 D:G217 4.7 23.7 1.0
N4 D:C218 4.8 22.9 1.0
O5' D:C215 4.8 23.3 1.0
OP2 D:C215 4.8 23.2 1.0
C3' D:C215 4.9 23.5 1.0

Reference:

A.Serganov, S.Keiper, L.Malinina, V.Tereshko, E.Skripkin, C.Hobartner, A.Polonskaia, A.T.Phan, R.Wombacher, R.Micura, Z.Dauter, A.Jaschke, D.J.Patel. Structural Basis For Diels-Alder Ribozyme-Catalyzed Carbon-Carbon Bond Formation. Nat.Struct.Mol.Biol. V. 12 218 2005.
ISSN: ISSN 1545-9993
PubMed: 15723077
DOI: 10.1038/NSMB906
Page generated: Tue Aug 13 19:36:00 2024

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