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Samarium in PDB 1lt7: Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions

Enzymatic activity of Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions

All present enzymatic activity of Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions:
2.1.1.5;

Protein crystallography data

The structure of Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions, PDB code: 1lt7 was solved by J.C.Evans, D.P.Huddler, J.Jiracek, C.Castro, N.S.Millian, T.A.Garrow, M.L.Ludwig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 9.99 / 2.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 109.990, 90.085, 89.085, 90.00, 122.10, 90.00
R / Rfree (%) 20.3 / 24.9

Samarium Binding Sites:

The binding sites of Samarium atom in the Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions (pdb code 1lt7). This binding sites where shown within 5.0 Angstroms radius around Samarium atom.
In total 4 binding sites of Samarium where determined in the Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions, PDB code: 1lt7:
Jump to Samarium binding site number: 1; 2; 3; 4;

Samarium binding site 1 out of 4 in 1lt7

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Samarium binding site 1 out of 4 in the Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 1 of Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sm501

b:35.3
occ:0.80
 O6 A:CIT601 2.3 34.8 0.8
O4 A:CIT601 2.5 25.7 0.8
O7 A:CIT601 2.6 27.7 0.8
O A:HOH646 2.6 37.5 1.0
O A:HOH618 2.8 35.9 1.0
C6 A:CIT601 3.2 32.0 0.8
C3 A:CIT601 3.3 28.7 0.8
O A:HOH688 3.5 52.2 1.0
C5 A:CIT601 3.5 24.3 0.8
C4 A:CIT601 3.9 26.8 0.8
NZ A:LYS283 4.3 36.9 1.0
O5 A:CIT601 4.3 32.5 0.8
O A:HOH707 4.4 52.3 1.0
O2 A:CIT601 4.5 29.0 0.8
O A:HOH647 4.6 34.5 1.0
OG1 A:THR222 4.7 23.1 1.0
O3 A:CIT601 4.7 25.9 0.8
C2 A:CIT601 4.7 29.1 0.8
CG2 A:THR222 4.8 20.3 1.0
O A:HOH614 5.0 37.5 1.0

Samarium binding site 2 out of 4 in 1lt7

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Samarium binding site 2 out of 4 in the Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 2 of Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sm503

b:53.6
occ:0.30
 O A:HOH749 2.6 69.3 1.0
NH1 A:ARG65 4.2 45.4 1.0

Samarium binding site 3 out of 4 in 1lt7

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Samarium binding site 3 out of 4 in the Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 3 of Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sm502

b:46.3
occ:0.50
 O B:HOH702 2.1 50.8 1.0
O A:HOH694 2.7 45.5 1.0
NH2 B:ARG65 3.9 45.2 1.0
NE2 A:HIS52 4.6 38.7 1.0
CZ B:ARG65 5.0 43.7 1.0

Samarium binding site 4 out of 4 in 1lt7

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Samarium binding site 4 out of 4 in the Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 4 of Oxidized Homo Sapiens Betaine-Homocysteine S-Methyltransferase in Complex with Four Sm(III) Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sm504

b:49.9
occ:0.30
 C2 B:CIT602 2.7 33.5 0.8
O2 B:CIT602 3.2 35.6 0.8
C1 B:CIT602 3.4 35.0 0.8
C3 B:CIT602 3.6 34.3 0.8
C4 B:CIT602 3.7 33.0 0.8
O7 B:CIT602 3.9 34.6 0.8
O1 B:CIT602 4.5 35.9 0.8
OG1 B:THR222 4.7 26.6 1.0
CG2 B:THR222 4.8 25.9 1.0

Reference:

J.C.Evans, D.P.Huddler, J.Jiracek, C.Castro, N.S.Millian, T.A.Garrow, M.L.Ludwig. Betaine-Homocysteine Methyltransferase: Zinc in A Distorted Barrel. Structure V. 10 1159 2002.
ISSN: ISSN 0969-2126
PubMed: 12220488
DOI: 10.1016/S0969-2126(02)00796-7
Page generated: Wed Dec 16 02:09:47 2020

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