Atomistry » Iron » PDB 5why-5xbp » 5x1b
Atomistry »
  Iron »
    PDB 5why-5xbp »
      5x1b »

Iron in PDB 5x1b: Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center

Enzymatic activity of Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center

All present enzymatic activity of Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center:
1.9.3.1;

Protein crystallography data

The structure of Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center, PDB code: 5x1b was solved by A.Shimada, M.Kubo, S.Baba, K.Yamashita, K.Hirata, G.Ueno, T.Nomura, T.Kimura, K.Shinzawa-Itoh, J.Baba, K.Hatano, Y.Eto, A.Miyamoto, H.Murakami, T.Kumasaka, S.Owada, K.Tono, M.Yabashi, Y.Yamaguchi, S.Yanagisawa, M.Sakaguchi, T.Ogura, R.Komiya, J.Yan, E.Yamashita, M.Yamamoto, H.Ago, S.Yoshikawa, T.Tsukihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 185.849, 209.485, 179.524, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23

Other elements in 5x1b:

The structure of Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center also contains other interesting chemical elements:

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

Iron Binding Sites:

The binding sites of Iron atom in the Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center (pdb code 5x1b). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center, PDB code: 5x1b:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5x1b

Go back to Iron Binding Sites List in 5x1b
Iron binding site 1 out of 4 in the Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:45.0
occ:1.00
 FE A:HEA601 0.0 45.0 1.0
NC A:HEA601 1.9 37.8 1.0
NA A:HEA601 2.0 41.2 1.0
NE2 A:HIS378 2.0 58.4 1.0
NB A:HEA601 2.0 46.4 1.0
ND A:HEA601 2.1 36.2 1.0
NE2 A:HIS61 2.1 49.5 1.0
CE1 A:HIS378 2.8 52.1 1.0
C4C A:HEA601 2.9 40.1 1.0
CD2 A:HIS61 2.9 48.8 1.0
C4A A:HEA601 3.0 48.8 1.0
C1C A:HEA601 3.0 41.1 1.0
C1A A:HEA601 3.0 42.3 1.0
C1D A:HEA601 3.1 37.3 1.0
C4B A:HEA601 3.1 48.5 1.0
C1B A:HEA601 3.1 45.7 1.0
C4D A:HEA601 3.1 39.8 1.0
CD2 A:HIS378 3.2 48.7 1.0
CE1 A:HIS61 3.3 51.8 1.0
CHD A:HEA601 3.3 39.4 1.0
CHB A:HEA601 3.4 45.4 1.0
CHC A:HEA601 3.5 44.2 1.0
CHA A:HEA601 3.5 38.4 1.0
O A:HOH754 3.7 100.0 1.0
ND1 A:HIS378 4.0 59.3 1.0
C3C A:HEA601 4.2 38.9 1.0
C3A A:HEA601 4.2 45.7 1.0
C2C A:HEA601 4.2 38.7 1.0
C2A A:HEA601 4.2 42.9 1.0
CG A:HIS378 4.2 56.1 1.0
CG A:HIS61 4.2 56.5 1.0
C3B A:HEA601 4.2 47.3 1.0
C2B A:HEA601 4.3 46.4 1.0
C2D A:HEA601 4.3 35.0 1.0
ND1 A:HIS61 4.3 52.7 1.0
C3D A:HEA601 4.4 37.1 1.0
CE1 A:PHE377 4.8 48.1 1.0

Iron binding site 2 out of 4 in 5x1b

Go back to Iron Binding Sites List in 5x1b
Iron binding site 2 out of 4 in the Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:54.9
occ:1.00
 FE A:HEA602 0.0 54.9 1.0
NA A:HEA602 2.0 47.3 1.0
NB A:HEA602 2.1 52.4 1.0
NC A:HEA602 2.1 54.3 1.0
ND A:HEA602 2.2 53.3 1.0
NE2 A:HIS376 2.2 47.3 1.0
C A:CMO606 2.9 55.1 1.0
C1A A:HEA602 3.0 51.4 1.0
C4A A:HEA602 3.0 51.1 1.0
C4B A:HEA602 3.0 51.1 1.0
C1C A:HEA602 3.1 52.4 1.0
C4C A:HEA602 3.1 54.6 1.0
C1B A:HEA602 3.1 51.7 1.0
C4D A:HEA602 3.1 50.4 1.0
CE1 A:HIS376 3.2 48.0 1.0
C1D A:HEA602 3.2 49.8 1.0
CD2 A:HIS376 3.2 54.0 1.0
CHA A:HEA602 3.4 47.6 1.0
CHC A:HEA602 3.4 53.1 1.0
CHB A:HEA602 3.5 51.3 1.0
CHD A:HEA602 3.5 53.4 1.0
O A:CMO606 3.5 55.4 1.0
C3A A:HEA602 4.2 52.0 1.0
C2A A:HEA602 4.2 47.6 1.0
C3B A:HEA602 4.3 51.3 1.0
C2C A:HEA602 4.3 52.8 1.0
C3C A:HEA602 4.3 54.4 1.0
C2B A:HEA602 4.3 50.3 1.0
ND1 A:HIS376 4.3 47.5 1.0
C3D A:HEA602 4.4 50.6 1.0
C2D A:HEA602 4.4 52.0 1.0
CG A:HIS376 4.4 47.3 1.0

Iron binding site 3 out of 4 in 5x1b

Go back to Iron Binding Sites List in 5x1b
Iron binding site 3 out of 4 in the Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe601

b:54.6
occ:1.00
 FE N:HEA601 0.0 54.6 1.0
NA N:HEA601 2.0 50.3 1.0
NE2 N:HIS378 2.0 60.3 1.0
NB N:HEA601 2.0 57.0 1.0
NC N:HEA601 2.1 48.8 1.0
ND N:HEA601 2.1 52.7 1.0
NE2 N:HIS61 2.1 57.7 1.0
C4A N:HEA601 3.0 52.0 1.0
CE1 N:HIS378 3.0 54.8 1.0
CD2 N:HIS61 3.0 49.6 1.0
C1B N:HEA601 3.0 54.3 1.0
CD2 N:HIS378 3.0 53.8 1.0
C1A N:HEA601 3.0 56.7 1.0
C4B N:HEA601 3.1 56.2 1.0
C1D N:HEA601 3.1 56.1 1.0
C4C N:HEA601 3.1 53.0 1.0
C4D N:HEA601 3.1 58.1 1.0
C1C N:HEA601 3.1 52.3 1.0
CE1 N:HIS61 3.1 58.0 1.0
CHB N:HEA601 3.3 51.3 1.0
CHD N:HEA601 3.4 56.3 1.0
CHA N:HEA601 3.5 56.0 1.0
CHC N:HEA601 3.5 52.5 1.0
ND1 N:HIS378 4.1 63.5 1.0
CG N:HIS378 4.2 59.5 1.0
CG N:HIS61 4.2 59.8 1.0
C2B N:HEA601 4.2 55.5 1.0
ND1 N:HIS61 4.2 58.4 1.0
C3A N:HEA601 4.2 55.9 1.0
C3B N:HEA601 4.2 55.3 1.0
C2A N:HEA601 4.3 54.8 1.0
C2D N:HEA601 4.3 55.9 1.0
C3C N:HEA601 4.3 47.1 1.0
C3D N:HEA601 4.3 56.7 1.0
C2C N:HEA601 4.3 51.2 1.0
CE1 N:PHE377 4.7 51.7 1.0

Iron binding site 4 out of 4 in 5x1b

Go back to Iron Binding Sites List in 5x1b
Iron binding site 4 out of 4 in the Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Co Bound Cytochrome C Oxidase at 20 Nsec After Pump Laser Irradiation to Release Co From O2 Reduction Center within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe602

b:57.1
occ:1.00
 FE N:HEA602 0.0 57.1 1.0
NC N:HEA602 1.9 52.6 1.0
NA N:HEA602 2.1 54.5 1.0
ND N:HEA602 2.1 56.2 1.0
NB N:HEA602 2.1 56.0 1.0
NE2 N:HIS376 2.2 57.4 1.0
C N:CMO606 2.7 77.9 1.0
C4C N:HEA602 2.9 57.3 1.0
C1C N:HEA602 3.0 55.5 1.0
C4A N:HEA602 3.0 53.8 1.0
C1D N:HEA602 3.1 54.8 1.0
C1A N:HEA602 3.1 58.2 1.0
O N:CMO606 3.1 80.2 1.0
C1B N:HEA602 3.1 55.0 1.0
C4D N:HEA602 3.1 56.8 1.0
C4B N:HEA602 3.1 49.4 1.0
CE1 N:HIS376 3.2 52.2 1.0
CD2 N:HIS376 3.2 60.0 1.0
CHD N:HEA602 3.4 53.4 1.0
CHB N:HEA602 3.4 53.1 1.0
CHC N:HEA602 3.5 48.6 1.0
CHA N:HEA602 3.5 57.5 1.0
C3C N:HEA602 4.1 54.6 1.0
C2C N:HEA602 4.2 55.4 1.0
C3A N:HEA602 4.2 54.7 1.0
C2A N:HEA602 4.3 57.1 1.0
C2B N:HEA602 4.3 55.3 1.0
C2D N:HEA602 4.3 59.2 1.0
C3B N:HEA602 4.3 54.9 1.0
ND1 N:HIS376 4.3 51.1 1.0
C3D N:HEA602 4.3 62.4 1.0
CG N:HIS376 4.4 51.4 1.0
CU N:CU603 4.9 55.3 1.0

Reference:

A.Shimada, M.Kubo, S.Baba, K.Yamashita, K.Hirata, G.Ueno, T.Nomura, T.Kimura, K.Shinzawa-Itoh, J.Baba, K.Hatano, Y.Eto, A.Miyamoto, H.Murakami, T.Kumasaka, S.Owada, K.Tono, M.Yabashi, Y.Yamaguchi, S.Yanagisawa, M.Sakaguchi, T.Ogura, R.Komiya, J.Yan, E.Yamashita, M.Yamamoto, H.Ago, S.Yoshikawa, T.Tsukihara. A Nanosecond Time-Resolved Xfel Analysis of Structural Changes Associated with Co Release From Cytochrome C Oxidase. Sci Adv V. 3 03042 2017.
ISSN: ESSN 2375-2548
PubMed: 28740863
DOI: 10.1126/SCIADV.1603042
Page generated: Tue Aug 6 11:28:27 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy