Atomistry » Tungsten » PDB 2hhl-4z3w » 4z3w
Atomistry »
  Tungsten »
    PDB 2hhl-4z3w »
      4z3w »

Tungsten in PDB 4z3w: Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa

Protein crystallography data

The structure of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa, PDB code: 4z3w was solved by T.Weinert, J.Kung, S.Weidenweber, S.Huwiler, M.Boll, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.63 / 2.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 125.340, 116.300, 144.160, 90.00, 110.48, 90.00
R / Rfree (%) 17.8 / 22.2

Other elements in 4z3w:

The structure of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa also contains other interesting chemical elements:

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

Tungsten Binding Sites:

The binding sites of Tungsten atom in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa (pdb code 4z3w). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 4 binding sites of Tungsten where determined in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa, PDB code: 4z3w:
Jump to Tungsten binding site number: 1; 2; 3; 4;

Tungsten binding site 1 out of 4 in 4z3w

Go back to Tungsten Binding Sites List in 4z3w
Tungsten binding site 1 out of 4 in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W704

b:33.1
occ:1.00
S1' A:MTE702 2.4 14.5 1.0
S1' A:MTE703 2.4 21.0 1.0
S2' A:MTE703 2.4 22.1 1.0
SG A:CYS322 2.4 37.2 1.0
S2' A:MTE702 2.4 30.2 1.0
X A:UNL706 2.5 31.4 1.0
C1' A:MTE703 3.2 22.8 1.0
C1' A:MTE702 3.2 22.9 1.0
C2' A:MTE703 3.3 18.6 1.0
C2' A:MTE702 3.3 15.7 1.0
CB A:CYS322 3.5 39.7 1.0
OG1 A:THR458 4.5 46.6 1.0
H5B A:4KX707 4.5 51.3 0.9
CD A:PRO249 4.5 39.6 1.0
C6 A:MTE703 4.7 21.8 1.0
C6 A:MTE702 4.7 23.7 1.0
CG A:PRO249 4.7 38.8 1.0
C3' A:MTE703 4.8 22.6 1.0
C3' A:MTE702 4.8 23.4 1.0
N A:PHE323 4.9 37.1 1.0
CZ A:PHE354 4.9 35.0 1.0
CA A:CYS322 5.0 37.5 1.0

Tungsten binding site 2 out of 4 in 4z3w

Go back to Tungsten Binding Sites List in 4z3w
Tungsten binding site 2 out of 4 in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W704

b:73.2
occ:1.00
X B:UNL706 2.0 21.1 1.0
S2' B:MTE702 2.4 0.6 1.0
S1' B:MTE703 2.4 50.4 1.0
S2' B:MTE703 2.4 66.3 1.0
S1' B:MTE702 2.4 60.5 1.0
SG B:CYS322 2.4 76.1 1.0
C2' B:MTE702 3.2 50.3 1.0
C1' B:MTE702 3.2 52.7 1.0
C1' B:MTE703 3.5 47.6 1.0
C2' B:MTE703 3.5 48.0 1.0
CB B:CYS322 3.5 74.1 1.0
CD B:PRO249 4.6 71.5 1.0
OG1 B:THR458 4.7 81.9 1.0
C3' B:MTE702 4.7 48.6 1.0
H5B B:4KX707 4.7 84.0 0.9
C6 B:MTE702 4.7 56.2 1.0
CG B:PRO249 4.8 74.5 1.0
C6 B:MTE703 4.8 48.5 1.0
C3' B:MTE703 4.9 47.1 1.0
N B:PHE323 4.9 81.7 1.0
CA B:CYS322 4.9 77.9 1.0

Tungsten binding site 3 out of 4 in 4z3w

Go back to Tungsten Binding Sites List in 4z3w
Tungsten binding site 3 out of 4 in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:W706

b:43.3
occ:1.00
S2' C:MTE702 2.4 31.7 1.0
S1' C:MTE702 2.4 39.1 1.0
S2' C:MTE703 2.4 33.7 1.0
SG C:CYS322 2.4 42.1 1.0
S1' C:MTE703 2.4 35.4 1.0
X C:UNL705 2.5 46.4 1.0
C2' C:MTE702 3.4 32.8 1.0
C1' C:MTE702 3.4 31.5 1.0
C2' C:MTE703 3.5 39.2 1.0
C1' C:MTE703 3.5 38.0 1.0
CB C:CYS322 3.5 39.9 1.0
CD C:PRO249 4.4 42.7 1.0
CG C:PRO249 4.6 45.9 1.0
H5B C:4KX707 4.6 78.5 0.9
OG1 C:THR458 4.6 44.4 1.0
C6 C:MTE702 4.8 28.8 1.0
C3' C:MTE702 4.8 34.4 1.0
C6 C:MTE703 4.9 40.1 1.0
C3' C:MTE703 4.9 39.6 1.0
CZ C:PHE354 5.0 44.6 1.0
CA C:CYS322 5.0 41.5 1.0

Tungsten binding site 4 out of 4 in 4z3w

Go back to Tungsten Binding Sites List in 4z3w
Tungsten binding site 4 out of 4 in the Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Active Site Complex Bambc of Benzoyl Coenzyme A Reductase in Complex with 1,5 Dienoyl-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:W705

b:36.3
occ:1.00
S1' D:MTE704 2.4 23.1 1.0
S1' D:MTE703 2.4 22.8 1.0
S2' D:MTE704 2.4 27.2 1.0
SG D:CYS322 2.4 35.5 1.0
S2' D:MTE703 2.4 33.5 1.0
X D:UNL701 2.6 36.2 1.0
C1' D:MTE704 3.3 33.4 1.0
C2' D:MTE704 3.3 33.1 1.0
C1' D:MTE703 3.4 31.4 1.0
C2' D:MTE703 3.4 31.4 1.0
CB D:CYS322 3.5 38.2 1.0
OG1 D:THR458 4.4 48.7 1.0
H5B D:4KX707 4.5 48.3 0.9
CD D:PRO249 4.5 32.7 1.0
CG D:PRO249 4.6 31.0 1.0
C6 D:MTE704 4.8 32.1 1.0
CZ D:PHE354 4.8 35.7 1.0
C3' D:MTE704 4.8 30.5 1.0
C3' D:MTE703 4.8 35.1 1.0
C6 D:MTE703 4.8 28.8 1.0
N D:PHE323 4.9 33.9 1.0
CA D:CYS322 4.9 37.8 1.0
CB D:THR458 5.0 43.6 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 02:34:53 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy