Atomistry » Copper » PDB 7xmb-8b9q » 7xmb
Atomistry »
  Copper »
    PDB 7xmb-8b9q »
      7xmb »

Copper 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
Iron (Fe) 4 atoms
Zinc (Zn) 2 atoms

Copper Binding Sites:

The binding sites of Copper 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 Copper atom.
In total 6 binding sites of Copper 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 Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in 7xmb

Go back to Copper Binding Sites List in 7xmb
Copper binding site 1 out of 6 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 Copper with other atoms in the Cu 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:Cu603

b:19.6
occ:1.00
NE2 A:HIS290 2.0 25.6 1.0
NE2 A:HIS291 2.0 26.8 1.0
ND1 A:HIS240 2.2 28.1 1.0
O2 A:PER606 2.2 46.0 1.0
O1 A:PER606 2.6 54.5 1.0
CE1 A:HIS291 2.9 22.7 1.0
CE1 A:HIS290 2.9 20.9 1.0
CD2 A:HIS291 3.0 20.3 1.0
CD2 A:HIS290 3.1 24.6 1.0
CG A:HIS240 3.1 46.4 1.0
CB A:HIS240 3.2 15.0 1.0
CE1 A:HIS240 3.3 31.3 1.0
ND1 A:HIS291 3.9 18.2 1.0
CA A:HIS240 3.9 24.2 1.0
CG A:HIS291 4.0 21.8 1.0
ND1 A:HIS290 4.1 21.1 1.0
CG A:HIS290 4.2 24.2 1.0
CD2 A:HIS240 4.3 21.5 1.0
NE2 A:HIS240 4.4 40.7 1.0
NA A:HEA602 4.5 22.7 1.0
C1A A:HEA602 4.7 22.9 1.0
N A:HIS240 4.7 16.6 1.0
C4A A:HEA602 4.8 24.8 1.0
CG2 A:VAL243 5.0 21.5 1.0
FE A:HEA602 5.0 21.1 1.0

Copper binding site 2 out of 6 in 7xmb

Go back to Copper Binding Sites List in 7xmb
Copper binding site 2 out of 6 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 Copper with other atoms in the Cu 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
B:Cu601

b:19.8
occ:1.00
CU1 B:CUA601 0.0 19.8 1.0
ND1 B:HIS161 2.0 23.5 1.0
SG B:CYS200 2.3 23.9 1.0
SG B:CYS196 2.3 24.7 1.0
SD B:MET207 2.4 30.1 1.0
CU2 B:CUA601 2.4 21.0 1.0
CE1 B:HIS161 2.8 19.3 1.0
CE B:MET207 3.0 30.0 1.0
CG B:HIS161 3.2 26.1 1.0
CB B:CYS200 3.3 24.9 1.0
CB B:CYS196 3.4 34.4 1.0
CG B:MET207 3.6 27.0 1.0
CB B:HIS161 3.6 25.4 1.0
NE2 B:HIS161 4.0 22.3 1.0
CD2 B:HIS161 4.2 13.9 1.0
O B:GLU198 4.2 28.0 1.0
CA B:HIS161 4.3 18.3 1.0
ND1 B:HIS204 4.4 31.1 1.0
O B:HIS102 4.5 28.0 1.0
O B:LEU160 4.7 26.8 1.0
CD1 B:TRP104 4.7 21.4 1.0
CA B:CYS200 4.7 35.0 1.0
CA B:CYS196 4.8 23.9 1.0
O B:HIS204 4.9 19.0 1.0
CA B:HIS204 4.9 25.2 1.0
CB B:MET207 4.9 24.2 1.0

Copper binding site 3 out of 6 in 7xmb

Go back to Copper Binding Sites List in 7xmb
Copper binding site 3 out of 6 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 Copper with other atoms in the Cu 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
B:Cu601

b:21.0
occ:1.00
CU2 B:CUA601 0.0 21.0 1.0
ND1 B:HIS204 2.0 31.1 1.0
SG B:CYS196 2.3 24.7 1.0
SG B:CYS200 2.3 23.9 1.0
CU1 B:CUA601 2.4 19.8 1.0
O B:GLU198 2.6 28.0 1.0
CE1 B:HIS204 2.7 33.8 1.0
CG B:HIS204 3.2 37.2 1.0
CB B:CYS196 3.3 34.4 1.0
CB B:CYS200 3.4 24.9 1.0
C B:GLU198 3.6 36.0 1.0
CA B:HIS204 3.7 25.2 1.0
N B:CYS200 3.7 25.2 1.0
O B:HIS204 3.7 19.0 1.0
CB B:HIS204 3.7 21.8 1.0
NE2 B:HIS204 3.9 28.4 1.0
ND1 B:HIS161 4.1 23.5 1.0
CD2 B:HIS204 4.1 26.6 1.0
CA B:CYS200 4.2 35.0 1.0
C B:HIS204 4.2 29.2 1.0
N B:GLU198 4.2 25.9 1.0
SD B:MET207 4.2 30.1 1.0
C B:ILE199 4.3 33.4 1.0
C B:CYS196 4.3 25.5 1.0
CA B:ILE199 4.3 30.4 1.0
O B:CYS196 4.4 23.5 1.0
CA B:CYS196 4.4 23.9 1.0
N B:ILE199 4.4 23.2 1.0
CA B:GLU198 4.5 24.9 1.0
CG B:MET207 4.6 27.0 1.0
N B:SER197 4.7 23.3 1.0
CE1 B:HIS161 4.9 19.3 1.0
N B:HIS204 4.9 28.8 1.0
CA B:HIS161 5.0 18.3 1.0
CG B:HIS161 5.0 26.1 1.0

Copper binding site 4 out of 6 in 7xmb

Go back to Copper Binding Sites List in 7xmb
Copper binding site 4 out of 6 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 Copper with other atoms in the Cu 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:Cu603

b:20.8
occ:1.00
NE2 N:HIS290 2.0 30.3 1.0
NE2 N:HIS291 2.0 25.9 1.0
O2 N:PER606 2.2 50.4 1.0
ND1 N:HIS240 2.2 34.2 1.0
O1 N:PER606 2.5 61.2 1.0
CE1 N:HIS291 2.9 27.9 1.0
CE1 N:HIS290 2.9 24.7 1.0
CD2 N:HIS291 3.0 22.8 1.0
CD2 N:HIS290 3.1 30.6 1.0
CG N:HIS240 3.1 43.9 1.0
CB N:HIS240 3.3 17.3 1.0
CE1 N:HIS240 3.3 30.0 1.0
ND1 N:HIS291 3.9 27.7 1.0
CA N:HIS240 4.0 47.9 1.0
CG N:HIS291 4.0 27.6 1.0
ND1 N:HIS290 4.1 27.6 1.0
CG N:HIS290 4.2 24.7 1.0
CD2 N:HIS240 4.3 20.8 1.0
NE2 N:HIS240 4.4 43.3 1.0
NA N:HEA602 4.5 23.1 1.0
C1A N:HEA602 4.6 23.4 1.0
N N:HIS240 4.7 15.5 1.0
C4A N:HEA602 4.8 28.7 1.0
CG2 N:VAL243 4.9 23.3 1.0
C2A N:HEA602 5.0 32.8 1.0
O N:HOH883 5.0 56.6 1.0
CHA N:HEA602 5.0 19.6 1.0
FE N:HEA602 5.0 22.6 1.0

Copper binding site 5 out of 6 in 7xmb

Go back to Copper Binding Sites List in 7xmb
Copper binding site 5 out of 6 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 Copper with other atoms in the Cu binding site number 5 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
O:Cu601

b:23.4
occ:1.00
CU1 O:CUA601 0.0 23.4 1.0
ND1 O:HIS161 2.0 27.3 1.0
SG O:CYS200 2.3 30.1 1.0
SG O:CYS196 2.3 28.9 1.0
SD O:MET207 2.4 35.2 1.0
CU2 O:CUA601 2.4 22.8 1.0
CE1 O:HIS161 2.8 23.4 1.0
CE O:MET207 3.0 26.1 1.0
CG O:HIS161 3.2 28.6 1.0
CB O:CYS200 3.3 32.1 1.0
CB O:CYS196 3.4 34.6 1.0
CG O:MET207 3.6 29.9 1.0
CB O:HIS161 3.6 37.0 1.0
NE2 O:HIS161 4.0 30.1 1.0
CD2 O:HIS161 4.2 21.1 1.0
O O:GLU198 4.2 30.3 1.0
CA O:HIS161 4.3 29.9 1.0
ND1 O:HIS204 4.4 22.8 1.0
O O:HIS102 4.5 29.0 1.0
CD1 O:TRP104 4.6 22.1 1.0
O O:LEU160 4.6 28.4 1.0
CA O:CYS200 4.7 22.4 1.0
O O:HIS204 4.8 26.6 1.0
CA O:CYS196 4.8 36.5 1.0
CB O:MET207 4.9 24.1 1.0
CA O:HIS204 4.9 27.6 1.0

Copper binding site 6 out of 6 in 7xmb

Go back to Copper Binding Sites List in 7xmb
Copper binding site 6 out of 6 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 Copper with other atoms in the Cu binding site number 6 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
O:Cu601

b:22.8
occ:1.00
CU2 O:CUA601 0.0 22.8 1.0
ND1 O:HIS204 2.0 22.8 1.0
SG O:CYS200 2.3 30.1 1.0
SG O:CYS196 2.3 28.9 1.0
CU1 O:CUA601 2.4 23.4 1.0
O O:GLU198 2.6 30.3 1.0
CE1 O:HIS204 2.7 41.7 1.0
CG O:HIS204 3.2 34.6 1.0
CB O:CYS196 3.3 34.6 1.0
CB O:CYS200 3.4 32.1 1.0
C O:GLU198 3.6 37.5 1.0
O O:HIS204 3.7 26.6 1.0
CA O:HIS204 3.7 27.6 1.0
N O:CYS200 3.7 26.5 1.0
CB O:HIS204 3.8 31.2 1.0
NE2 O:HIS204 3.9 23.8 1.0
ND1 O:HIS161 4.1 27.3 1.0
C O:HIS204 4.1 28.1 1.0
CA O:CYS200 4.1 22.4 1.0
CD2 O:HIS204 4.2 23.1 1.0
N O:GLU198 4.2 26.1 1.0
SD O:MET207 4.2 35.2 1.0
C O:ILE199 4.2 37.3 1.0
C O:CYS196 4.3 36.7 1.0
CA O:ILE199 4.3 31.5 1.0
O O:CYS196 4.4 27.8 1.0
N O:ILE199 4.4 21.7 1.0
CA O:CYS196 4.4 36.5 1.0
CA O:GLU198 4.6 28.0 1.0
CG O:MET207 4.6 29.9 1.0
N O:SER197 4.7 30.0 1.0
CE1 O:HIS161 4.9 23.4 1.0
N O:HIS204 4.9 39.1 1.0
CA O:HIS161 5.0 29.9 1.0
CG O:HIS161 5.0 28.6 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: Wed Jul 31 09:23:37 2024

Last articles

Zn in 7WTZ
Zn in 7WTX
Zn in 7WTW
Zn in 7WT5
Zn in 7WTU
Zn in 7WTV
Zn in 7WTT
Zn in 7WT4
Zn in 7WT3
Zn in 7WSS
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy