Atomistry » Iron » PDB 7xgy-7y9j » 7xmb
Atomistry »
  Iron »
    PDB 7xgy-7y9j »
      7xmb »

Iron in PDB 7xmb: Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113

Enzymatic activity of Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113

All present enzymatic activity of Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113:
7.1.1.9;

Protein crystallography data

The structure of Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113, PDB code: 7xmb was solved by Y.Nishida, K.Shinzawa-Itoh, N.Mizuno, T.Kumasaka, S.Yoshikawa, T.Tsukihara, Y.Shintani, S.Takashima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.98 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 182.097, 204.337, 177.933, 90, 90, 90
R / Rfree (%) 17.8 / 20.4

Other elements in 7xmb:

The structure of Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113 also contains other interesting chemical elements:

Sodium (Na) 2 atoms
Magnesium (Mg) 2 atoms
Copper (Cu) 6 atoms
Zinc (Zn) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113 (pdb code 7xmb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113, PDB code: 7xmb:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7xmb

Go back to Iron Binding Sites List in 7xmb
Iron binding site 1 out of 4 in the Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:23.7
occ:1.00
FE A:HEA601 0.0 23.7 1.0
NE2 A:HIS378 2.0 23.4 1.0
NE2 A:HIS61 2.0 19.8 1.0
NC A:HEA601 2.0 25.7 1.0
ND A:HEA601 2.0 28.2 1.0
NA A:HEA601 2.0 31.9 1.0
NB A:HEA601 2.0 32.4 1.0
CE1 A:HIS378 2.9 26.7 1.0
CD2 A:HIS61 3.0 17.8 1.0
CE1 A:HIS61 3.0 23.0 1.0
C4C A:HEA601 3.0 32.4 1.0
C1B A:HEA601 3.0 29.5 1.0
C1D A:HEA601 3.0 31.7 1.0
C1C A:HEA601 3.0 24.9 1.0
C4D A:HEA601 3.0 34.2 1.0
C1A A:HEA601 3.0 31.7 1.0
C4A A:HEA601 3.0 31.6 1.0
C4B A:HEA601 3.0 27.7 1.0
CD2 A:HIS378 3.1 16.5 1.0
CHB A:HEA601 3.4 24.3 1.0
CHA A:HEA601 3.4 21.5 1.0
CHD A:HEA601 3.5 22.4 1.0
CHC A:HEA601 3.5 17.3 1.0
ND1 A:HIS378 4.0 20.6 1.0
ND1 A:HIS61 4.1 20.5 1.0
CG A:HIS61 4.1 19.4 1.0
CG A:HIS378 4.2 24.7 1.0
C2C A:HEA601 4.2 31.0 1.0
C2D A:HEA601 4.2 27.4 1.0
C2B A:HEA601 4.2 23.2 1.0
C3C A:HEA601 4.2 35.4 1.0
C3D A:HEA601 4.2 40.7 1.0
C3A A:HEA601 4.2 27.8 1.0
C2A A:HEA601 4.2 34.5 1.0
C3B A:HEA601 4.2 23.5 1.0
OG A:SER382 4.6 68.8 0.2
CE1 A:PHE377 4.9 25.2 1.0

Iron binding site 2 out of 4 in 7xmb

Go back to Iron Binding Sites List in 7xmb
Iron binding site 2 out of 4 in the Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:21.1
occ:1.00
FE A:HEA602 0.0 21.1 1.0
NE2 A:HIS376 2.0 27.4 1.0
NC A:HEA602 2.0 20.5 1.0
ND A:HEA602 2.0 18.1 1.0
NB A:HEA602 2.0 21.2 1.0
NA A:HEA602 2.0 22.7 1.0
O1 A:PER606 2.7 54.5 1.0
CE1 A:HIS376 2.9 31.5 1.0
C1C A:HEA602 3.0 37.6 1.0
C4D A:HEA602 3.0 21.9 1.0
C1B A:HEA602 3.0 36.1 1.0
C4A A:HEA602 3.0 24.8 1.0
C1A A:HEA602 3.0 22.9 1.0
C4C A:HEA602 3.0 21.4 1.0
C4B A:HEA602 3.0 24.3 1.0
C1D A:HEA602 3.0 30.2 1.0
CD2 A:HIS376 3.1 34.9 1.0
CHA A:HEA602 3.5 16.5 1.0
CHB A:HEA602 3.5 24.4 1.0
CHC A:HEA602 3.5 18.0 1.0
CHD A:HEA602 3.5 21.4 1.0
O2 A:PER606 3.8 46.0 1.0
ND1 A:HIS376 4.1 22.0 1.0
CG A:HIS376 4.2 20.7 1.0
C2C A:HEA602 4.2 32.4 1.0
C2B A:HEA602 4.2 20.9 1.0
C3D A:HEA602 4.2 32.0 1.0
C3A A:HEA602 4.2 18.5 1.0
C2A A:HEA602 4.2 36.8 1.0
C3C A:HEA602 4.2 16.0 1.0
C3B A:HEA602 4.2 28.1 1.0
C2D A:HEA602 4.2 24.1 1.0
CG1 A:VAL380 4.8 20.8 0.2
CU A:CU603 5.0 19.6 1.0

Iron binding site 3 out of 4 in 7xmb

Go back to Iron Binding Sites List in 7xmb
Iron binding site 3 out of 4 in the Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113 within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe601

b:25.0
occ:1.00
FE N:HEA601 0.0 25.0 1.0
NE2 N:HIS378 2.0 22.7 1.0
NE2 N:HIS61 2.0 22.4 1.0
NC N:HEA601 2.0 31.0 1.0
ND N:HEA601 2.0 33.5 1.0
NB N:HEA601 2.0 31.0 1.0
NA N:HEA601 2.0 25.5 1.0
CE1 N:HIS378 2.9 32.9 1.0
CE1 N:HIS61 3.0 29.5 1.0
CD2 N:HIS61 3.0 30.5 1.0
C1B N:HEA601 3.0 32.2 1.0
C4C N:HEA601 3.0 43.3 1.0
C4D N:HEA601 3.0 33.1 1.0
C4A N:HEA601 3.0 37.3 1.0
C1C N:HEA601 3.0 43.6 1.0
C1D N:HEA601 3.0 40.2 1.0
C1A N:HEA601 3.0 30.8 1.0
C4B N:HEA601 3.0 41.9 1.0
CD2 N:HIS378 3.1 20.5 1.0
CHB N:HEA601 3.4 22.9 1.0
CHA N:HEA601 3.4 21.8 1.0
CHD N:HEA601 3.5 26.4 1.0
CHC N:HEA601 3.5 25.8 1.0
ND1 N:HIS378 4.0 19.8 1.0
ND1 N:HIS61 4.1 21.1 1.0
CG N:HIS61 4.1 25.8 1.0
CG N:HIS378 4.2 31.5 1.0
C2C N:HEA601 4.2 31.7 1.0
C2D N:HEA601 4.2 40.6 1.0
C3D N:HEA601 4.2 30.1 1.0
C2B N:HEA601 4.2 40.7 1.0
C3A N:HEA601 4.2 24.1 1.0
C3C N:HEA601 4.2 32.7 1.0
C3B N:HEA601 4.2 33.5 1.0
C2A N:HEA601 4.2 30.1 1.0
OG N:SER382 4.6 42.0 0.2
CE1 N:PHE377 4.9 25.7 1.0

Iron binding site 4 out of 4 in 7xmb

Go back to Iron Binding Sites List in 7xmb
Iron binding site 4 out of 4 in the Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Bovine Heart Cytochrome C Oxidase, the Structure Complexed with An Allosteric Inhibitor T113 within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe602

b:22.6
occ:1.00
FE N:HEA602 0.0 22.6 1.0
NE2 N:HIS376 2.0 28.3 1.0
NC N:HEA602 2.0 22.9 1.0
ND N:HEA602 2.0 24.7 1.0
NA N:HEA602 2.0 23.1 1.0
NB N:HEA602 2.0 20.6 1.0
O1 N:PER606 2.7 61.2 1.0
CE1 N:HIS376 2.9 33.7 1.0
C1C N:HEA602 3.0 38.8 1.0
C4D N:HEA602 3.0 17.8 1.0
C1B N:HEA602 3.0 34.1 1.0
C1A N:HEA602 3.0 23.4 1.0
C4A N:HEA602 3.0 28.7 1.0
C4B N:HEA602 3.0 22.6 1.0
C1D N:HEA602 3.0 29.4 1.0
C4C N:HEA602 3.0 31.9 1.0
CD2 N:HIS376 3.1 30.8 1.0
CHA N:HEA602 3.5 19.6 1.0
CHC N:HEA602 3.5 21.7 1.0
CHB N:HEA602 3.5 22.1 1.0
CHD N:HEA602 3.5 23.3 1.0
O2 N:PER606 3.5 50.4 1.0
ND1 N:HIS376 4.1 22.4 1.0
CG N:HIS376 4.2 19.0 1.0
C2C N:HEA602 4.2 31.0 1.0
C2B N:HEA602 4.2 17.4 1.0
C3D N:HEA602 4.2 41.6 1.0
C3A N:HEA602 4.2 17.3 1.0
C2A N:HEA602 4.2 32.8 1.0
C2D N:HEA602 4.2 20.2 1.0
C3C N:HEA602 4.2 30.8 1.0
C3B N:HEA602 4.2 20.3 1.0
CG1 N:VAL380 4.8 20.9 0.2
CU N:CU603 5.0 20.8 1.0

Reference:

Y.Nishida, S.Yanagisawa, R.Morita, H.Shigematsu, K.Shinzawa-Itoh, H.Yuki, S.Ogasawara, K.Shimuta, T.Iwamoto, C.Nakabayashi, W.Matsumura, H.Kato, C.Gopalasingam, T.Nagao, T.Qaqorh, Y.Takahashi, S.Yamazaki, K.Kamiya, R.Harada, N.Mizuno, H.Takahashi, Y.Akeda, M.Ohnishi, Y.Ishii, T.Kumasaka, T.Murata, K.Muramoto, T.Tosha, Y.Shiro, T.Honma, Y.Shigeta, M.Kubo, S.Takashima, Y.Shintani. Identifying Antibiotics Based on Structural Differences in the Conserved Allostery From Mitochondrial Heme-Copper Oxidases. Nat Commun V. 13 7591 2022.
ISSN: ESSN 2041-1723
PubMed: 36481732
DOI: 10.1038/S41467-022-34771-Y
Page generated: Fri Aug 9 11:02:45 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