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Molybdenum in PDB 4b1a: Crystal Structure of Lysozyme with Keggin Molecule

Enzymatic activity of Crystal Structure of Lysozyme with Keggin Molecule

All present enzymatic activity of Crystal Structure of Lysozyme with Keggin Molecule:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Lysozyme with Keggin Molecule, PDB code: 4b1a was solved by A.Mukhopadhyay, T.S.Silva, M.J.Romao, C.C.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.38 / 1.67
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.960, 77.960, 36.410, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 26.7

Other elements in 4b1a:

The structure of Crystal Structure of Lysozyme with Keggin Molecule also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of Lysozyme with Keggin Molecule (pdb code 4b1a). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 7 binding sites of Molybdenum where determined in the Crystal Structure of Lysozyme with Keggin Molecule, PDB code: 4b1a:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7;

Molybdenum binding site 1 out of 7 in 4b1a

Go back to Molybdenum Binding Sites List in 4b1a
Molybdenum binding site 1 out of 7 in the Crystal Structure of Lysozyme with Keggin Molecule


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 Lysozyme with Keggin Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1000

b:31.3
occ:0.50
 MO1 A:K3G1000 0.0 31.3 0.5
P1 A:K3G1000 3.5 45.5 0.5
MO2 A:K3G1000 3.6 17.2 0.2
MO4 A:K3G1000 3.7 34.3 0.5
MO7 A:K3G1000 4.5 69.4 0.5

Molybdenum binding site 2 out of 7 in 4b1a

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Molybdenum binding site 2 out of 7 in the Crystal Structure of Lysozyme with Keggin Molecule


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 Lysozyme with Keggin Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1000

b:17.2
occ:0.25
 MO2 A:K3G1000 0.0 17.2 0.2
P1 A:K3G1000 3.4 45.5 0.5
MO8 A:K3G1000 3.5 27.9 0.5
MO1 A:K3G1000 3.6 31.3 0.5
MO6 A:K3G1000 3.6 21.3 0.2
CG A:ARG45 4.6 22.3 1.0

Molybdenum binding site 3 out of 7 in 4b1a

Go back to Molybdenum Binding Sites List in 4b1a
Molybdenum binding site 3 out of 7 in the Crystal Structure of Lysozyme with Keggin Molecule


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Crystal Structure of Lysozyme with Keggin Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1000

b:34.3
occ:0.50
 MO4 A:K3G1000 0.0 34.3 0.5
MO7 A:K3G1000 3.5 69.4 0.5
MO10 A:K3G1000 3.5 28.0 0.5
MO1 A:K3G1000 3.7 31.3 0.5
P1 A:K3G1000 3.8 45.5 0.5

Molybdenum binding site 4 out of 7 in 4b1a

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Molybdenum binding site 4 out of 7 in the Crystal Structure of Lysozyme with Keggin Molecule


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Crystal Structure of Lysozyme with Keggin Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1000

b:21.3
occ:0.25
 MO6 A:K3G1000 0.0 21.3 0.2
P1 A:K3G1000 3.2 45.5 0.5
O A:HOH2044 3.5 30.2 1.0
MO8 A:K3G1000 3.5 27.9 0.5
MO2 A:K3G1000 3.6 17.2 0.2
O A:HOH2045 3.7 37.4 1.0
CB A:ARG45 3.9 21.4 1.0
CG A:ARG45 4.4 22.3 1.0
O A:ARG45 4.8 22.3 1.0
CA A:ARG45 5.0 20.3 1.0

Molybdenum binding site 5 out of 7 in 4b1a

Go back to Molybdenum Binding Sites List in 4b1a
Molybdenum binding site 5 out of 7 in the Crystal Structure of Lysozyme with Keggin Molecule


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Crystal Structure of Lysozyme with Keggin Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1000

b:69.4
occ:0.50
 MO7 A:K3G1000 0.0 69.4 0.5
MO4 A:K3G1000 3.5 34.3 0.5
P1 A:K3G1000 3.9 45.5 0.5
MO10 A:K3G1000 4.3 28.0 0.5
MO1 A:K3G1000 4.5 31.3 0.5

Molybdenum binding site 6 out of 7 in 4b1a

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Molybdenum binding site 6 out of 7 in the Crystal Structure of Lysozyme with Keggin Molecule


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Crystal Structure of Lysozyme with Keggin Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1000

b:27.9
occ:0.50
 MO8 A:K3G1000 0.0 27.9 0.5
P1 A:K3G1000 3.4 45.5 0.5
MO2 A:K3G1000 3.5 17.2 0.2
MO6 A:K3G1000 3.5 21.3 0.2
O A:ARG45 3.8 22.3 1.0
O A:HOH2045 4.2 37.4 1.0
CG A:ARG45 4.3 22.3 1.0
CA A:THR47 4.5 26.2 1.0
N A:THR47 4.5 25.3 1.0
CB A:ARG45 4.5 21.4 1.0
C A:ARG45 4.5 21.0 1.0
CG2 A:THR47 4.6 27.7 1.0
C A:ASN46 4.6 22.6 1.0
O A:ASN46 4.7 24.1 1.0

Molybdenum binding site 7 out of 7 in 4b1a

Go back to Molybdenum Binding Sites List in 4b1a
Molybdenum binding site 7 out of 7 in the Crystal Structure of Lysozyme with Keggin Molecule


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 7 of Crystal Structure of Lysozyme with Keggin Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1000

b:28.0
occ:0.50
 MO10 A:K3G1000 0.0 28.0 0.5
MO4 A:K3G1000 3.5 34.3 0.5
P1 A:K3G1000 3.7 45.5 0.5
MO7 A:K3G1000 4.3 69.4 0.5

Reference:

J.D.Seixas, A.Mukhopadhyay, T.Santos-Silva, L.E.Otterbein, D.J.Gallo, S.S.Rodrigues, B.H.Guerreiro, A.M.Goncalves, N.Penacho, A.R.Marques, A.C.Coelho, P.M.Reis, M.J.Romao, C.C.Romao. Characterization of A Versatile Organometallic Pro-Drug (Corm) For Experimental Co Based Therapeutics. Dalton Trans V. 42 5985 2013.
ISSN: ISSN 1477-9226
PubMed: 23223860
DOI: 10.1039/C2DT32174B
Page generated: Tue Dec 15 05:18:41 2020

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