Atomistry » Zinc » PDB 4yye-4zej » 4z3z
Atomistry »
  Zinc »
    PDB 4yye-4zej »
      4z3z »

Zinc in PDB 4z3z: Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc

Protein crystallography data

The structure of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc, PDB code: 4z3z was solved by T.Weinert, J.W.Kung, S.Weidenweber, S.G.Huwiler, M.Boll, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.51 / 2.67
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 124.240, 117.430, 143.080, 90.00, 111.04, 90.00
R / Rfree (%) 23.2 / 27.4

Other elements in 4z3z:

The structure of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc also contains other interesting chemical elements:

Tungsten (W) 4 atoms
Magnesium (Mg) 4 atoms
Iron (Fe) 64 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc (pdb code 4z3z). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc, PDB code: 4z3z:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4z3z

Go back to Zinc Binding Sites List in 4z3z
Zinc binding site 1 out of 4 in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn707

b:67.0
occ:0.18
OE1 A:GLU257 2.0 0.3 1.0
OE2 A:GLU257 2.0 0.9 1.0
OE1 A:GLU251 2.0 0.0 1.0
NE2 A:HIS255 2.1 0.9 1.0
ND1 A:HIS260 2.1 0.3 1.0
CD A:GLU257 2.1 0.3 1.0
OE2 A:GLU251 2.5 0.5 1.0
CD A:GLU251 2.6 0.6 1.0
CE1 A:HIS260 2.8 0.4 1.0
CE1 A:HIS255 2.9 0.6 1.0
CD2 A:HIS255 3.2 0.8 1.0
CG A:HIS260 3.2 1.0 1.0
CG A:GLU257 3.5 0.3 1.0
CB A:HIS260 3.8 0.0 1.0
CD1 A:LEU326 4.0 0.1 1.0
NE2 A:HIS260 4.0 0.2 1.0
ND1 A:HIS255 4.1 0.1 1.0
CG A:GLU251 4.1 0.1 1.0
CD2 A:HIS260 4.2 0.6 1.0
CG A:HIS255 4.2 0.5 1.0
CB A:GLU257 4.3 1.0 1.0
CA A:GLU257 4.3 0.4 1.0
NZ A:LYS325 4.6 0.5 1.0
CD1 A:ILE242 4.7 0.9 1.0
CG A:LEU326 4.7 0.7 1.0
CD2 A:LEU326 4.7 0.4 1.0
CB A:GLU251 5.0 0.4 1.0

Zinc binding site 2 out of 4 in 4z3z

Go back to Zinc Binding Sites List in 4z3z
Zinc binding site 2 out of 4 in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn707

b:40.1
occ:0.26
OE2 B:GLU257 2.0 0.2 1.0
OE1 B:GLU257 2.0 0.6 1.0
OE1 B:GLU251 2.0 85.4 1.0
NE2 B:HIS255 2.1 0.3 1.0
ND1 B:HIS260 2.1 0.7 1.0
CD B:GLU257 2.1 0.1 1.0
OE2 B:GLU251 2.5 79.0 1.0
CD B:GLU251 2.6 82.5 1.0
CE1 B:HIS260 2.8 0.4 1.0
CE1 B:HIS255 2.9 0.2 1.0
CD2 B:HIS255 3.2 0.3 1.0
CG B:HIS260 3.2 0.7 1.0
CG B:GLU257 3.5 0.2 1.0
CB B:HIS260 3.8 0.1 1.0
CD1 B:LEU326 3.9 75.9 1.0
NE2 B:HIS260 4.0 0.4 1.0
CG B:GLU251 4.1 83.1 1.0
ND1 B:HIS255 4.1 0.6 1.0
CD2 B:HIS260 4.2 0.3 1.0
CG B:HIS255 4.3 0.4 1.0
CB B:GLU257 4.3 0.0 1.0
CA B:GLU257 4.3 0.3 1.0
NZ B:LYS325 4.5 72.4 1.0
CG B:LEU326 4.7 75.1 1.0
CD1 B:ILE242 4.7 0.8 1.0
CD2 B:LEU326 4.7 74.5 1.0
CB B:GLU251 4.9 83.3 1.0

Zinc binding site 3 out of 4 in 4z3z

Go back to Zinc Binding Sites List in 4z3z
Zinc binding site 3 out of 4 in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn707

b:76.6
occ:0.55
OE2 C:GLU257 2.0 87.1 1.0
OE1 C:GLU257 2.0 88.3 1.0
OE1 C:GLU251 2.0 68.1 1.0
ND1 C:HIS260 2.1 77.0 1.0
NE2 C:HIS255 2.1 0.8 1.0
CD C:GLU257 2.1 85.7 1.0
OE2 C:GLU251 2.5 66.9 1.0
CD C:GLU251 2.5 67.4 1.0
CE1 C:HIS260 2.8 77.0 1.0
CE1 C:HIS255 2.9 0.7 1.0
CD2 C:HIS255 3.2 0.5 1.0
CG C:HIS260 3.2 79.1 1.0
CG C:GLU257 3.5 82.6 1.0
CB C:HIS260 3.8 79.3 1.0
CD1 C:LEU326 3.9 59.9 1.0
NE2 C:HIS260 4.0 78.5 1.0
CG C:GLU251 4.0 68.5 1.0
ND1 C:HIS255 4.1 0.2 1.0
CD2 C:HIS260 4.2 79.8 1.0
CG C:HIS255 4.3 0.6 1.0
CB C:GLU257 4.3 81.4 1.0
CA C:GLU257 4.3 82.8 1.0
NZ C:LYS325 4.5 59.4 1.0
CG C:LEU326 4.6 61.0 1.0
CD2 C:LEU326 4.7 60.1 1.0
CD1 C:ILE242 4.7 96.7 1.0
CB C:GLU251 4.9 65.5 1.0

Zinc binding site 4 out of 4 in 4z3z

Go back to Zinc Binding Sites List in 4z3z
Zinc binding site 4 out of 4 in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn707

b:90.0
occ:0.47
OE1 D:GLU251 2.0 89.3 1.0
OE1 D:GLU257 2.0 94.1 1.0
OE2 D:GLU257 2.0 97.4 1.0
NE2 D:HIS255 2.0 0.4 1.0
ND1 D:HIS260 2.0 0.1 1.0
CD D:GLU257 2.2 96.1 1.0
OE2 D:GLU251 2.6 85.5 1.0
CD D:GLU251 2.6 86.0 1.0
CE1 D:HIS260 2.8 0.9 1.0
CE1 D:HIS255 2.9 0.9 1.0
CD2 D:HIS255 3.2 0.1 1.0
CG D:HIS260 3.2 0.1 1.0
CG D:GLU257 3.5 98.2 1.0
CB D:HIS260 3.8 0.8 1.0
NE2 D:HIS260 4.0 0.2 1.0
CD1 D:LEU326 4.0 83.6 1.0
ND1 D:HIS255 4.0 0.6 1.0
CG D:GLU251 4.1 82.2 1.0
CD2 D:HIS260 4.2 0.9 1.0
CG D:HIS255 4.2 0.4 1.0
CB D:GLU257 4.3 99.7 1.0
CA D:GLU257 4.3 0.3 1.0
NZ D:LYS325 4.6 73.5 1.0
CD1 D:ILE242 4.6 0.8 1.0
CG D:LEU326 4.7 80.0 1.0
CD2 D:LEU326 4.8 81.6 1.0
CB D:GLU251 5.0 80.0 1.0
N D:GLU257 5.0 0.5 1.0

Reference:

T.Weinert, S.G.Huwiler, J.W.Kung, S.Weidenweber, P.Hellwig, H.J.Stark, T.Biskup, S.Weber, J.J.Cotelesage, G.N.George, U.Ermler, M.Boll. Structural Basis of Enzymatic Benzene Ring Reduction. Nat.Chem.Biol. V. 11 586 2015.
ISSN: ESSN 1552-4469
PubMed: 26120796
DOI: 10.1038/NCHEMBIO.1849
Page generated: Wed Dec 16 05:58:46 2020

Last articles

Zn in 7RRP
Zn in 7OKY
Zn in 7OL0
Zn in 7OKX
Zn in 7ONB
Zn in 7RSF
Zn in 7OUF
Zn in 7OUG
Zn in 7OUH
Zn in 7RGN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy