Atomistry » Zinc » PDB 2i9w-2iul » 2in4
Atomistry »
  Zinc »
    PDB 2i9w-2iul »
      2in4 »

Zinc in PDB 2in4: Crystal Structure of Myoglobin with Charge Neutralized Heme, Zndmb-Dme

Protein crystallography data

The structure of Crystal Structure of Myoglobin with Charge Neutralized Heme, Zndmb-Dme, PDB code: 2in4 was solved by K.E.Wheeler, J.M.Nocek, D.A.Cull, L.A.Yatsunyk, A.C.Rosenzweig, B.M.Hoffman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.99 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.604, 30.577, 56.485, 90.00, 97.66, 90.00
R / Rfree (%) 17.5 / 23.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Myoglobin with Charge Neutralized Heme, Zndmb-Dme (pdb code 2in4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Myoglobin with Charge Neutralized Heme, Zndmb-Dme, PDB code: 2in4:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2in4

Go back to Zinc Binding Sites List in 2in4
Zinc binding site 1 out of 2 in the Crystal Structure of Myoglobin with Charge Neutralized Heme, Zndmb-Dme


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Myoglobin with Charge Neutralized Heme, Zndmb-Dme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn201

b:15.2
occ:0.60
ZN A:HE5201 0.0 15.2 0.6
ZN A:HE5201 0.4 12.1 0.4
NC A:HE5201 1.8 12.0 0.4
ND A:HE5201 2.1 12.1 0.4
ND A:HE5201 2.2 15.3 0.6
NC A:HE5201 2.2 15.6 0.6
NB A:HE5201 2.2 15.1 0.6
NA A:HE5201 2.2 15.9 0.6
NE2 A:HIS93 2.2 14.4 1.0
NB A:HE5201 2.3 12.3 0.4
NA A:HE5201 2.6 12.3 0.4
C4C A:HE5201 2.7 11.7 0.4
C1C A:HE5201 2.8 11.8 0.4
C1D A:HE5201 2.9 12.4 0.4
CE1 A:HIS93 3.0 13.6 1.0
C4D A:HE5201 3.1 15.6 0.6
C1C A:HE5201 3.1 14.9 0.6
CHD A:HE5201 3.1 11.8 0.4
C1B A:HE5201 3.1 14.8 0.6
C4C A:HE5201 3.1 14.7 0.6
C1D A:HE5201 3.1 14.9 0.6
C4A A:HE5201 3.1 15.4 0.6
C1A A:HE5201 3.1 15.8 0.6
C4B A:HE5201 3.2 14.8 0.6
C4B A:HE5201 3.2 12.2 0.4
C4D A:HE5201 3.2 12.1 0.4
CD2 A:HIS93 3.3 13.6 1.0
CHC A:HE5201 3.4 11.6 0.4
C1B A:HE5201 3.4 12.0 0.4
CHA A:HE5201 3.5 15.2 0.6
CHD A:HE5201 3.5 14.9 0.6
C1A A:HE5201 3.5 12.5 0.4
CHB A:HE5201 3.5 15.2 0.6
CHC A:HE5201 3.5 14.6 0.6
C4A A:HE5201 3.6 12.0 0.4
CHA A:HE5201 3.7 12.2 0.4
CHB A:HE5201 3.9 12.0 0.4
C3C A:HE5201 3.9 11.5 0.4
C2C A:HE5201 4.0 11.8 0.4
C2D A:HE5201 4.2 12.3 0.4
ND1 A:HIS93 4.2 15.0 1.0
C3D A:HE5201 4.3 12.7 0.4
C3C A:HE5201 4.3 15.4 0.6
C3D A:HE5201 4.3 16.1 0.6
C3B A:HE5201 4.3 14.7 0.6
C2D A:HE5201 4.3 15.7 0.6
C3A A:HE5201 4.4 16.1 0.6
C2C A:HE5201 4.4 14.8 0.6
C2A A:HE5201 4.4 16.2 0.6
C2B A:HE5201 4.4 14.4 0.6
CG A:HIS93 4.4 14.9 1.0
NE2 A:HIS64 4.4 20.4 1.0
C3B A:HE5201 4.4 12.2 0.4
CG2 A:VAL68 4.5 13.4 1.0
C2B A:HE5201 4.6 12.4 0.4
C2A A:HE5201 4.8 12.9 0.4
C3A A:HE5201 4.8 12.5 0.4
CE1 A:HIS64 4.8 18.7 1.0

Zinc binding site 2 out of 2 in 2in4

Go back to Zinc Binding Sites List in 2in4
Zinc binding site 2 out of 2 in the Crystal Structure of Myoglobin with Charge Neutralized Heme, Zndmb-Dme


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Myoglobin with Charge Neutralized Heme, Zndmb-Dme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn201

b:12.1
occ:0.40
ZN A:HE5201 0.0 12.1 0.4
ZN A:HE5201 0.4 15.2 0.6
ND A:HE5201 1.8 15.3 0.6
NC A:HE5201 2.1 15.6 0.6
NC A:HE5201 2.2 12.0 0.4
ND A:HE5201 2.2 12.1 0.4
NB A:HE5201 2.2 12.3 0.4
NE2 A:HIS93 2.2 14.4 1.0
NA A:HE5201 2.2 12.3 0.4
NA A:HE5201 2.3 15.9 0.6
NB A:HE5201 2.6 15.1 0.6
C1D A:HE5201 2.7 14.9 0.6
C4D A:HE5201 2.8 15.6 0.6
C4C A:HE5201 2.9 14.7 0.6
CE1 A:HIS93 3.0 13.6 1.0
C1B A:HE5201 3.1 12.0 0.4
CHD A:HE5201 3.1 14.9 0.6
C1C A:HE5201 3.1 11.8 0.4
C4D A:HE5201 3.1 12.1 0.4
C4A A:HE5201 3.1 12.0 0.4
C1D A:HE5201 3.1 12.4 0.4
C4C A:HE5201 3.1 11.7 0.4
C4B A:HE5201 3.2 12.2 0.4
C1A A:HE5201 3.2 12.5 0.4
C1A A:HE5201 3.2 15.8 0.6
C1C A:HE5201 3.2 14.9 0.6
CD2 A:HIS93 3.2 13.6 1.0
CHA A:HE5201 3.3 15.2 0.6
C4A A:HE5201 3.4 15.4 0.6
CHA A:HE5201 3.5 12.2 0.4
CHB A:HE5201 3.5 12.0 0.4
C4B A:HE5201 3.5 14.8 0.6
CHD A:HE5201 3.5 11.8 0.4
CHC A:HE5201 3.5 11.6 0.4
C1B A:HE5201 3.6 14.8 0.6
CHC A:HE5201 3.7 14.6 0.6
CHB A:HE5201 3.9 15.2 0.6
C2D A:HE5201 3.9 15.7 0.6
C3D A:HE5201 4.0 16.1 0.6
C3C A:HE5201 4.2 15.4 0.6
ND1 A:HIS93 4.2 15.0 1.0
NE2 A:HIS64 4.3 20.4 1.0
CG A:HIS93 4.3 14.9 1.0
C3C A:HE5201 4.3 11.5 0.4
C2C A:HE5201 4.3 14.8 0.6
C3B A:HE5201 4.3 12.2 0.4
C3D A:HE5201 4.3 12.7 0.4
C2D A:HE5201 4.3 12.3 0.4
C3A A:HE5201 4.3 12.5 0.4
C2C A:HE5201 4.4 11.8 0.4
C2B A:HE5201 4.4 12.4 0.4
C2A A:HE5201 4.4 12.9 0.4
C2A A:HE5201 4.5 16.2 0.6
C3A A:HE5201 4.6 16.1 0.6
CG2 A:VAL68 4.7 13.4 1.0
C3B A:HE5201 4.7 14.7 0.6
CE1 A:HIS64 4.7 18.7 1.0
C2B A:HE5201 4.8 14.4 0.6

Reference:

K.E.Wheeler, J.M.Nocek, D.A.Cull, L.A.Yatsunyk, A.C.Rosenzweig, B.M.Hoffman. Dynamic Docking of Cytochrome B5 with Myoglobin and Alpha-Hemoglobin: Heme-Neutralization "Squares" and the Binding of Electron-Transfer-Reactive Configurations. J.Am.Chem.Soc. V. 129 3906 2007.
ISSN: ISSN 0002-7863
PubMed: 17343378
DOI: 10.1021/JA067598G
Page generated: Wed Dec 16 03:31:20 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