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Molybdenum in PDB 2afh: Crystal Structure of Nucleotide-Free AV2-AV1 Complex

Enzymatic activity of Crystal Structure of Nucleotide-Free AV2-AV1 Complex

All present enzymatic activity of Crystal Structure of Nucleotide-Free AV2-AV1 Complex:
1.18.6.1;

Protein crystallography data

The structure of Crystal Structure of Nucleotide-Free AV2-AV1 Complex, PDB code: 2afh was solved by F.A.Tezcan, J.T.Kaiser, D.Mustafi, M.Y.Walton, J.B.Howard, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.28 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 170.911, 75.893, 223.665, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 22.1

Other elements in 2afh:

The structure of Crystal Structure of Nucleotide-Free AV2-AV1 Complex also contains other interesting chemical elements:

Iron (Fe) 34 atoms
Calcium (Ca) 2 atoms
Sodium (Na) 1 atom

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of Nucleotide-Free AV2-AV1 Complex (pdb code 2afh). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Crystal Structure of Nucleotide-Free AV2-AV1 Complex, PDB code: 2afh:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 2afh

Go back to Molybdenum Binding Sites List in 2afh
Molybdenum binding site 1 out of 2 in the Crystal Structure of Nucleotide-Free AV2-AV1 Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of Nucleotide-Free AV2-AV1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo2496

b:19.5
occ:1.00
MO1 A:CFN2496 0.0 19.5 1.0
O7 A:HCA2494 2.2 12.1 1.0
O5 A:HCA2494 2.3 15.9 1.0
ND1 A:HIS442 2.3 18.5 1.0
S3B A:CFN2496 2.4 19.8 1.0
S4B A:CFN2496 2.4 19.3 1.0
S1B A:CFN2496 2.4 16.9 1.0
FE6 A:CFN2496 2.7 20.1 1.0
FE7 A:CFN2496 2.7 18.9 1.0
FE5 A:CFN2496 2.8 17.7 1.0
C7 A:HCA2494 3.1 18.7 1.0
CE1 A:HIS442 3.2 19.8 1.0
C3 A:HCA2494 3.2 18.6 1.0
CG A:HIS442 3.5 15.4 1.0
NX A:CFN2496 3.6 16.8 1.0
CB A:HIS442 3.9 20.2 1.0
C2 A:HCA2494 4.1 17.8 1.0
C5 A:HCA2494 4.2 17.0 1.0
O A:HOH5038 4.2 17.4 1.0
O6 A:HCA2494 4.3 17.0 1.0
C4 A:HCA2494 4.3 17.7 1.0
NE2 A:HIS442 4.4 16.6 1.0
O1 A:HCA2494 4.4 20.0 1.0
CD2 A:HIS442 4.5 12.1 1.0
CA A:HIS442 4.5 17.7 1.0
C1 A:HCA2494 4.8 23.4 1.0
S2B A:CFN2496 4.8 17.1 1.0
S5A A:CFN2496 4.9 18.2 1.0
S3A A:CFN2496 5.0 19.9 1.0

Molybdenum binding site 2 out of 2 in 2afh

Go back to Molybdenum Binding Sites List in 2afh
Molybdenum binding site 2 out of 2 in the Crystal Structure of Nucleotide-Free AV2-AV1 Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of Nucleotide-Free AV2-AV1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo3496

b:18.2
occ:1.00
MO1 C:CFN3496 0.0 18.2 1.0
O7 C:HCA3494 2.1 16.2 1.0
S4B C:CFN3496 2.3 22.7 1.0
O5 C:HCA3494 2.3 16.0 1.0
S3B C:CFN3496 2.3 22.0 1.0
ND1 C:HIS442 2.4 20.1 1.0
S1B C:CFN3496 2.4 19.6 1.0
FE7 C:CFN3496 2.7 16.9 1.0
FE6 C:CFN3496 2.7 18.1 1.0
FE5 C:CFN3496 2.8 17.6 1.0
C7 C:HCA3494 3.2 17.8 1.0
CE1 C:HIS442 3.2 15.1 1.0
C3 C:HCA3494 3.3 17.9 1.0
CG C:HIS442 3.5 14.2 1.0
NX C:CFN3496 3.6 20.5 1.0
CB C:HIS442 3.8 18.7 1.0
O C:HOH5059 4.1 14.7 1.0
C5 C:HCA3494 4.2 15.4 1.0
C2 C:HCA3494 4.2 19.1 1.0
C4 C:HCA3494 4.3 16.6 1.0
O6 C:HCA3494 4.4 15.5 1.0
NE2 C:HIS442 4.4 18.1 1.0
O1 C:HCA3494 4.4 17.3 1.0
CA C:HIS442 4.5 13.7 1.0
CD2 C:HIS442 4.5 13.3 1.0
S5A C:CFN3496 4.8 14.9 1.0
C1 C:HCA3494 4.9 21.0 1.0
S2B C:CFN3496 4.9 17.9 1.0
S3A C:CFN3496 4.9 20.7 1.0

Reference:

F.A.Tezcan, J.T.Kaiser, D.Mustafi, M.Y.Walton, J.B.Howard, D.C.Rees. Nitrogenase Complexes: Multiple Docking Sites For A Nucleotide Switch Protein Science V. 309 1377 2005.
ISSN: ISSN 0036-8075
PubMed: 16123301
DOI: 10.1126/SCIENCE.1115653
Page generated: Tue Dec 15 05:16:54 2020

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