Atomistry » Molybdenum » PDB 4c80-5koj » 5cx1
Atomistry »
  Molybdenum »
    PDB 4c80-5koj »
      5cx1 »

Molybdenum in PDB 5cx1: Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant

Enzymatic activity of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant

All present enzymatic activity of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant:
1.18.6.1;

Protein crystallography data

The structure of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant, PDB code: 5cx1 was solved by C.P.Owens, M.A.Luca, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.68 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 175.502, 144.595, 177.747, 90.00, 114.27, 90.00
R / Rfree (%) 19.8 / 24.5

Other elements in 5cx1:

The structure of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant also contains other interesting chemical elements:

Iron (Fe) 120 atoms
Calcium (Ca) 8 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant (pdb code 5cx1). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 8 binding sites of Molybdenum where determined in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant, PDB code: 5cx1:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Molybdenum binding site 1 out of 8 in 5cx1

Go back to Molybdenum Binding Sites List in 5cx1
Molybdenum binding site 1 out of 8 in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo502

b:12.8
occ:1.00
MO1 A:ICS502 0.0 12.8 1.0
S1B A:ICS502 2.3 10.5 1.0
O6 A:HCA501 2.4 14.1 1.0
S4B A:ICS502 2.4 11.6 1.0
S3B A:ICS502 2.4 12.0 1.0
FE7 A:ICS502 2.6 11.9 1.0
FE6 A:ICS502 2.7 13.5 1.0
O7 A:HCA501 2.7 12.8 1.0
ND1 A:HIS442 2.7 14.3 1.0
FE5 A:ICS502 2.7 12.9 1.0
C7 A:HCA501 3.2 10.2 1.0
C3 A:HCA501 3.4 12.3 1.0
CX A:ICS502 3.5 12.2 1.0
CG A:HIS442 3.6 12.7 1.0
CE1 A:HIS442 3.6 11.8 1.0
CB A:HIS442 3.8 12.3 1.0
C5 A:HCA501 4.2 12.2 1.0
C2 A:HCA501 4.3 14.4 1.0
O5 A:HCA501 4.3 13.6 1.0
O A:HOH924 4.4 14.4 1.0
O2 A:HCA501 4.4 12.5 1.0
C4 A:HCA501 4.5 12.1 1.0
CA A:HIS442 4.6 11.8 1.0
S2B A:ICS502 4.7 13.9 1.0
S5A A:ICS502 4.8 13.5 1.0
NE2 A:HIS442 4.8 13.0 1.0
CD2 A:HIS442 4.8 11.3 1.0
C1 A:HCA501 4.9 18.4 1.0
S3A A:ICS502 4.9 13.3 1.0

Molybdenum binding site 2 out of 8 in 5cx1

Go back to Molybdenum Binding Sites List in 5cx1
Molybdenum binding site 2 out of 8 in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo502

b:12.4
occ:1.00
MO1 C:ICS502 0.0 12.4 1.0
S1B C:ICS502 2.3 9.2 1.0
O5 C:HCA501 2.4 10.2 1.0
S4B C:ICS502 2.4 13.0 1.0
S3B C:ICS502 2.4 11.3 1.0
FE7 C:ICS502 2.6 10.6 1.0
FE6 C:ICS502 2.6 10.7 1.0
O7 C:HCA501 2.7 17.0 1.0
FE5 C:ICS502 2.7 12.2 1.0
ND1 C:HIS442 2.7 13.6 1.0
C7 C:HCA501 3.1 14.9 1.0
C3 C:HCA501 3.3 11.2 1.0
CX C:ICS502 3.5 10.3 1.0
CG C:HIS442 3.6 11.7 1.0
CE1 C:HIS442 3.7 10.8 1.0
CB C:HIS442 3.7 9.2 1.0
C2 C:HCA501 4.2 12.2 1.0
O C:HOH828 4.2 11.2 1.0
C5 C:HCA501 4.2 9.7 1.0
O1 C:HCA501 4.3 13.5 1.0
O6 C:HCA501 4.3 11.6 1.0
C4 C:HCA501 4.4 12.1 1.0
CA C:HIS442 4.6 11.8 1.0
S2B C:ICS502 4.8 14.0 1.0
S5A C:ICS502 4.8 14.2 1.0
CD2 C:HIS442 4.8 10.6 1.0
NE2 C:HIS442 4.8 14.6 1.0
C1 C:HCA501 4.8 14.1 1.0
S3A C:ICS502 4.9 13.2 1.0
FE2 C:ICS502 5.0 12.3 1.0

Molybdenum binding site 3 out of 8 in 5cx1

Go back to Molybdenum Binding Sites List in 5cx1
Molybdenum binding site 3 out of 8 in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mo502

b:14.0
occ:1.00
MO1 E:ICS502 0.0 14.0 1.0
S1B E:ICS502 2.4 11.8 1.0
S4B E:ICS502 2.4 16.5 1.0
O7 E:HCA501 2.4 17.1 1.0
S3B E:ICS502 2.4 12.8 1.0
O6 E:HCA501 2.6 17.2 1.0
FE6 E:ICS502 2.7 14.0 1.0
FE7 E:ICS502 2.7 13.5 1.0
ND1 E:HIS442 2.7 18.6 1.0
FE5 E:ICS502 2.7 14.6 1.0
C7 E:HCA501 3.3 16.8 1.0
C3 E:HCA501 3.3 13.9 1.0
CX E:ICS502 3.5 11.2 1.0
CG E:HIS442 3.6 14.5 1.0
CE1 E:HIS442 3.7 14.5 1.0
CB E:HIS442 3.7 16.3 1.0
C2 E:HCA501 4.2 15.8 1.0
O E:HOH715 4.2 13.3 1.0
C5 E:HCA501 4.2 15.0 1.0
C4 E:HCA501 4.3 11.8 1.0
O2 E:HCA501 4.3 17.9 1.0
O5 E:HCA501 4.4 14.0 1.0
CA E:HIS442 4.5 15.1 1.0
S2B E:ICS502 4.7 17.6 1.0
CD2 E:HIS442 4.7 17.2 1.0
S5A E:ICS502 4.7 11.5 1.0
NE2 E:HIS442 4.8 16.1 1.0
C1 E:HCA501 4.8 13.6 1.0
S3A E:ICS502 4.9 15.5 1.0

Molybdenum binding site 4 out of 8 in 5cx1

Go back to Molybdenum Binding Sites List in 5cx1
Molybdenum binding site 4 out of 8 in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mo502

b:11.6
occ:1.00
MO1 G:ICS502 0.0 11.6 1.0
O5 G:HCA501 2.3 9.7 1.0
S4B G:ICS502 2.3 8.4 1.0
S1B G:ICS502 2.3 10.0 1.0
S3B G:ICS502 2.4 9.8 1.0
FE6 G:ICS502 2.6 10.5 1.0
FE7 G:ICS502 2.6 11.8 1.0
O7 G:HCA501 2.7 12.7 1.0
ND1 G:HIS442 2.7 12.6 1.0
FE5 G:ICS502 2.7 11.7 1.0
C7 G:HCA501 3.1 9.3 1.0
C3 G:HCA501 3.3 10.3 1.0
CX G:ICS502 3.5 12.6 1.0
CG G:HIS442 3.6 8.4 1.0
CE1 G:HIS442 3.6 12.0 1.0
CB G:HIS442 3.7 9.5 1.0
C2 G:HCA501 4.1 9.9 1.0
O G:HOH827 4.2 11.2 1.0
C5 G:HCA501 4.2 10.1 1.0
O6 G:HCA501 4.2 11.9 1.0
O1 G:HCA501 4.3 10.7 1.0
C4 G:HCA501 4.4 9.5 1.0
CA G:HIS442 4.6 9.8 1.0
S5A G:ICS502 4.7 9.3 1.0
C1 G:HCA501 4.7 11.7 1.0
S2B G:ICS502 4.7 10.5 1.0
NE2 G:HIS442 4.8 7.3 1.0
CD2 G:HIS442 4.8 9.3 1.0
S3A G:ICS502 4.9 10.4 1.0

Molybdenum binding site 5 out of 8 in 5cx1

Go back to Molybdenum Binding Sites List in 5cx1
Molybdenum binding site 5 out of 8 in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mo502

b:12.8
occ:1.00
MO1 I:ICS502 0.0 12.8 1.0
S1B I:ICS502 2.3 10.4 1.0
S4B I:ICS502 2.3 13.2 1.0
S3B I:ICS502 2.3 13.5 1.0
O7 I:HCA501 2.4 14.8 1.0
FE6 I:ICS502 2.6 12.2 1.0
O5 I:HCA501 2.7 16.6 1.0
FE7 I:ICS502 2.7 12.8 1.0
FE5 I:ICS502 2.7 14.0 1.0
ND1 I:HIS442 2.7 19.6 1.0
C7 I:HCA501 3.3 12.9 1.0
C3 I:HCA501 3.3 11.1 1.0
CX I:ICS502 3.5 16.5 1.0
CG I:HIS442 3.6 13.1 1.0
CE1 I:HIS442 3.6 14.7 1.0
CB I:HIS442 3.7 10.4 1.0
O I:HOH788 4.2 11.5 1.0
C2 I:HCA501 4.3 12.1 1.0
O1 I:HCA501 4.3 14.1 1.0
C5 I:HCA501 4.3 17.3 1.0
C4 I:HCA501 4.4 14.8 1.0
O6 I:HCA501 4.4 13.4 1.0
CA I:HIS442 4.6 12.9 1.0
S2B I:ICS502 4.7 13.2 1.0
NE2 I:HIS442 4.8 12.8 1.0
CD2 I:HIS442 4.8 11.9 1.0
S5A I:ICS502 4.8 13.4 1.0
C1 I:HCA501 4.8 15.1 1.0
S3A I:ICS502 4.9 14.0 1.0

Molybdenum binding site 6 out of 8 in 5cx1

Go back to Molybdenum Binding Sites List in 5cx1
Molybdenum binding site 6 out of 8 in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mo502

b:12.4
occ:1.00
MO1 K:ICS502 0.0 12.4 1.0
S3B K:ICS502 2.3 11.7 1.0
S1B K:ICS502 2.3 10.9 1.0
S4B K:ICS502 2.4 12.1 1.0
O7 K:HCA501 2.4 11.9 1.0
FE7 K:ICS502 2.6 10.6 1.0
FE6 K:ICS502 2.6 11.1 1.0
O6 K:HCA501 2.7 15.1 1.0
FE5 K:ICS502 2.7 12.5 1.0
ND1 K:HIS442 2.7 12.6 1.0
C7 K:HCA501 3.2 13.4 1.0
C3 K:HCA501 3.3 9.2 1.0
CX K:ICS502 3.5 13.9 1.0
CG K:HIS442 3.6 12.6 1.0
CE1 K:HIS442 3.6 11.8 1.0
CB K:HIS442 3.7 13.8 1.0
O K:HOH723 4.2 12.5 1.0
C2 K:HCA501 4.2 11.5 1.0
C5 K:HCA501 4.3 10.6 1.0
O2 K:HCA501 4.3 9.8 1.0
C4 K:HCA501 4.4 12.3 1.0
O5 K:HCA501 4.4 11.1 1.0
CA K:HIS442 4.6 15.3 1.0
NE2 K:HIS442 4.7 12.6 1.0
CD2 K:HIS442 4.7 12.3 1.0
S5A K:ICS502 4.8 11.8 1.0
S2B K:ICS502 4.8 12.6 1.0
C1 K:HCA501 4.8 14.2 1.0
S3A K:ICS502 4.9 13.0 1.0

Molybdenum binding site 7 out of 8 in 5cx1

Go back to Molybdenum Binding Sites List in 5cx1
Molybdenum binding site 7 out of 8 in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 7 of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mo502

b:11.4
occ:1.00
MO1 M:ICS502 0.0 11.4 1.0
O5 M:HCA501 2.3 6.6 1.0
S3B M:ICS502 2.3 9.4 1.0
S1B M:ICS502 2.3 10.5 1.0
S4B M:ICS502 2.3 9.0 1.0
FE6 M:ICS502 2.6 11.2 1.0
O7 M:HCA501 2.6 12.3 1.0
FE7 M:ICS502 2.6 9.6 1.0
ND1 M:HIS442 2.7 10.9 1.0
FE5 M:ICS502 2.7 10.6 1.0
C7 M:HCA501 3.0 9.7 1.0
C3 M:HCA501 3.2 7.4 1.0
CX M:ICS502 3.5 5.2 1.0
CG M:HIS442 3.6 8.1 1.0
CE1 M:HIS442 3.7 6.7 1.0
CB M:HIS442 3.7 9.8 1.0
C2 M:HCA501 4.1 8.8 1.0
O6 M:HCA501 4.2 9.8 1.0
O M:HOH755 4.2 8.8 1.0
C5 M:HCA501 4.2 9.6 1.0
C4 M:HCA501 4.3 9.6 1.0
O1 M:HCA501 4.4 12.8 1.0
CA M:HIS442 4.6 8.3 1.0
S5A M:ICS502 4.7 9.4 1.0
S2B M:ICS502 4.8 11.3 1.0
CD2 M:HIS442 4.8 10.5 1.0
C1 M:HCA501 4.8 10.8 1.0
NE2 M:HIS442 4.8 11.1 1.0
S3A M:ICS502 4.9 11.1 1.0
FE2 M:ICS502 5.0 10.4 1.0

Molybdenum binding site 8 out of 8 in 5cx1

Go back to Molybdenum Binding Sites List in 5cx1
Molybdenum binding site 8 out of 8 in the Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 8 of Nitrogenase Molybdenum-Iron Protein Beta-K400E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Mo502

b:11.3
occ:1.00
MO1 O:ICS502 0.0 11.3 1.0
O6 O:HCA501 2.3 7.0 1.0
S4B O:ICS502 2.3 10.7 1.0
S1B O:ICS502 2.3 11.6 1.0
S3B O:ICS502 2.4 10.1 1.0
FE7 O:ICS502 2.7 12.3 1.0
O7 O:HCA501 2.7 15.3 1.0
ND1 O:HIS442 2.7 16.3 1.0
FE6 O:ICS502 2.7 10.4 1.0
FE5 O:ICS502 2.7 11.1 1.0
C7 O:HCA501 3.1 11.6 1.0
C3 O:HCA501 3.3 13.3 1.0
CX O:ICS502 3.5 8.2 1.0
CG O:HIS442 3.6 12.7 1.0
CE1 O:HIS442 3.6 14.6 1.0
CB O:HIS442 3.7 13.7 1.0
C2 O:HCA501 4.2 7.8 1.0
C5 O:HCA501 4.2 12.0 1.0
O5 O:HCA501 4.3 12.0 1.0
O O:HOH875 4.3 11.3 1.0
C4 O:HCA501 4.4 14.9 1.0
O2 O:HCA501 4.4 13.9 1.0
CA O:HIS442 4.6 9.9 1.0
NE2 O:HIS442 4.7 11.9 1.0
CD2 O:HIS442 4.7 10.8 1.0
S5A O:ICS502 4.7 10.8 1.0
S2B O:ICS502 4.8 10.4 1.0
C1 O:HCA501 4.8 15.2 1.0
S3A O:ICS502 4.9 14.2 1.0

Reference:

C.P.Owens, F.E.Katz, C.H.Carter, M.A.Luca, F.A.Tezcan. Evidence For Functionally Relevant Encounter Complexes in Nitrogenase Catalysis. J.Am.Chem.Soc. V. 137 12704 2015.
ISSN: ESSN 1520-5126
PubMed: 26360912
DOI: 10.1021/JACS.5B08310
Page generated: Sun Oct 6 16:21:54 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy