Atomistry » Copper » PDB 4mfh-4rkn » 4mfh
Atomistry »
  Copper »
    PDB 4mfh-4rkn »
      4mfh »

Copper in PDB 4mfh: Crystal Structure of M121G Azurin

Protein crystallography data

The structure of Crystal Structure of M121G Azurin, PDB code: 4mfh was solved by S.Tian, Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.15 / 1.54
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 55.747, 145.781, 97.092, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.4

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of M121G Azurin (pdb code 4mfh). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 9 binding sites of Copper where determined in the Crystal Structure of M121G Azurin, PDB code: 4mfh:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Copper binding site 1 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 1 out of 9 in the Crystal Structure of M121G Azurin


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 M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu201

b:11.9
occ:0.95
 ND1 A:HIS117 2.1 8.0 1.0
SG A:CYS112 2.2 7.3 1.0
ND1 A:HIS46 2.2 11.7 1.0
O A:GLY45 2.9 7.5 1.0
O A:HOH304 2.9 20.8 1.0
CG A:HIS117 3.0 8.6 1.0
CE1 A:HIS46 3.1 11.5 1.0
CE1 A:HIS117 3.1 9.2 1.0
CB A:CYS112 3.2 8.4 1.0
CG A:HIS46 3.2 9.1 1.0
CB A:HIS117 3.4 7.8 1.0
CA A:HIS46 3.4 7.7 1.0
CB A:HIS46 3.6 8.4 1.0
CB A:PHE114 3.8 6.4 1.0
C A:GLY45 3.9 9.1 1.0
N A:HIS46 4.1 7.9 1.0
CD2 A:HIS117 4.2 8.2 1.0
NE2 A:HIS117 4.2 9.0 1.0
NE2 A:HIS46 4.2 9.7 1.0
CD2 A:HIS46 4.3 10.6 1.0
O A:HOH413 4.4 29.2 1.0
C A:HIS46 4.6 7.8 1.0
CA A:CYS112 4.6 6.7 1.0
N A:ASN47 4.6 7.1 1.0
CG A:PHE114 4.7 7.2 1.0
N A:PHE114 4.7 5.9 1.0
CA A:PHE114 4.9 6.0 1.0
CA A:HIS117 4.9 8.0 1.0

Copper binding site 2 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 2 out of 9 in the Crystal Structure of M121G Azurin


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 M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu202

b:11.6
occ:0.60
 CU A:CU202 0.0 11.6 0.6
CU A:CU202 1.7 19.9 0.4
N A:TRS203 1.8 12.8 1.0
NE2 A:HIS83 1.9 13.4 1.0
O B:HOH348 2.5 20.7 1.0
O B:HOH364 2.5 17.9 1.0
CE1 A:HIS83 2.7 10.9 1.0
C A:TRS203 2.8 12.0 1.0
CD2 A:HIS83 3.0 10.9 1.0
C3 A:TRS203 3.0 12.4 1.0
O3 A:TRS203 3.2 12.4 1.0
C2 A:TRS203 3.3 12.3 1.0
N B:ALA1 3.5 18.7 1.0
O B:ALA1 3.8 18.1 1.0
ND1 A:HIS83 3.9 10.5 1.0
CG A:HIS83 4.0 8.8 1.0
C1 A:TRS203 4.0 13.5 1.0
O B:SER25 4.2 10.9 1.0
OG B:SER25 4.3 12.8 1.0
SG B:CYS3 4.4 15.2 1.0
O1 A:TRS203 4.5 16.0 1.0
CD1 A:LEU73 4.5 12.4 1.0
O2 A:TRS203 4.5 14.5 1.0
CA B:ALA1 4.6 17.5 1.0
C B:ALA1 4.7 17.0 1.0
C B:SER25 4.7 11.6 1.0
CA B:CYS26 4.9 9.9 1.0
O B:HOH307 4.9 14.9 1.0
N B:CYS26 5.0 10.8 1.0

Copper binding site 3 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 3 out of 9 in the Crystal Structure of M121G Azurin


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 M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu202

b:19.9
occ:0.40
 CU A:CU202 0.0 19.9 0.4
CU A:CU202 1.7 11.6 0.6
N B:ALA1 2.0 18.7 1.0
N A:TRS203 2.0 12.8 1.0
O B:HOH348 2.2 20.7 1.0
O3 A:TRS203 2.5 12.4 1.0
NE2 A:HIS83 2.5 13.4 1.0
O B:ALA1 2.5 18.1 1.0
C A:TRS203 3.0 12.0 1.0
CA B:ALA1 3.0 17.5 1.0
C3 A:TRS203 3.0 12.4 1.0
C B:ALA1 3.2 17.0 1.0
CD2 A:HIS83 3.2 10.9 1.0
CE1 A:HIS83 3.6 10.9 1.0
C1 A:TRS203 3.8 13.5 1.0
CB B:ALA1 3.9 20.6 1.0
O B:HOH364 4.0 17.9 1.0
C2 A:TRS203 4.2 12.3 1.0
OG B:SER25 4.2 12.8 1.0
SG B:CYS3 4.3 15.2 1.0
O B:HOH327 4.3 11.4 1.0
CG A:HIS83 4.4 8.8 1.0
O1 A:TRS203 4.4 16.0 1.0
N B:GLU2 4.5 18.9 1.0
ND1 A:HIS83 4.6 10.5 1.0

Copper binding site 4 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 4 out of 9 in the Crystal Structure of M121G Azurin


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 M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu201

b:11.9
occ:1.00
 ND1 B:HIS117 2.1 8.1 1.0
ND1 B:HIS46 2.1 10.3 1.0
SG B:CYS112 2.2 8.8 1.0
O B:GLY45 2.8 9.1 1.0
O B:HOH312 2.9 29.4 1.0
CE1 B:HIS46 3.0 9.5 1.0
CE1 B:HIS117 3.0 10.0 1.0
CG B:HIS117 3.1 9.4 1.0
CG B:HIS46 3.2 8.4 1.0
CB B:CYS112 3.2 7.5 1.0
CB B:HIS117 3.4 8.3 1.0
CA B:HIS46 3.4 7.3 1.0
CB B:HIS46 3.6 7.1 1.0
CB B:PHE114 3.7 6.5 1.0
C B:GLY45 3.8 8.7 1.0
N B:HIS46 4.0 6.8 1.0
NE2 B:HIS117 4.1 9.1 1.0
NE2 B:HIS46 4.2 8.2 1.0
CD2 B:HIS117 4.2 9.5 1.0
CD2 B:HIS46 4.3 8.0 1.0
C B:HIS46 4.5 7.2 1.0
N B:ASN47 4.5 6.9 1.0
CA B:CYS112 4.6 7.5 1.0
CG B:PHE114 4.6 7.1 1.0
N B:PHE114 4.7 6.3 1.0
CA B:PHE114 4.8 6.9 1.0
CA B:HIS117 4.9 7.9 1.0
O B:MET13 5.0 35.4 1.0

Copper binding site 5 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 5 out of 9 in the Crystal Structure of M121G Azurin


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 M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu202

b:15.9
occ:0.60
 CU B:CU202 0.0 15.9 0.6
CU B:CU202 1.5 13.4 0.4
N B:TRS203 1.8 17.9 1.0
NE2 B:HIS83 1.9 13.1 1.0
C B:TRS203 2.6 19.0 1.0
O B:HOH395 2.7 22.9 1.0
C2 B:TRS203 2.7 16.1 1.0
CE1 B:HIS83 2.7 10.5 1.0
O2 B:TRS203 3.0 18.1 1.0
CD2 B:HIS83 3.0 12.3 1.0
C1 B:TRS203 3.2 17.1 1.0
ND1 B:HIS83 3.9 10.8 1.0
C3 B:TRS203 3.9 19.8 1.0
CG B:HIS83 4.0 9.7 1.0
CD1 B:LEU73 4.1 11.6 1.0
O3 B:TRS203 4.2 25.4 1.0
O1 B:TRS203 4.5 17.9 1.0

Copper binding site 6 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 6 out of 9 in the Crystal Structure of M121G Azurin


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 M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu202

b:13.4
occ:0.40
 CU B:CU202 0.0 13.4 0.4
CU B:CU202 1.5 15.9 0.6
N B:TRS203 2.2 17.9 1.0
NE2 B:HIS83 2.4 13.1 1.0
O2 B:TRS203 2.6 18.1 1.0
O B:HOH395 2.7 22.9 1.0
C2 B:TRS203 3.1 16.1 1.0
C B:TRS203 3.1 19.0 1.0
CD2 B:HIS83 3.1 12.3 1.0
CE1 B:HIS83 3.4 10.5 1.0
C3 B:TRS203 3.9 19.8 1.0
C1 B:TRS203 4.2 17.1 1.0
O3 B:TRS203 4.2 25.4 1.0
CG B:HIS83 4.3 9.7 1.0
ND1 B:HIS83 4.5 10.8 1.0

Copper binding site 7 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 7 out of 9 in the Crystal Structure of M121G Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Crystal Structure of M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu201

b:11.0
occ:1.00
 ND1 C:HIS117 2.0 8.6 1.0
ND1 C:HIS46 2.1 10.6 1.0
SG C:CYS112 2.2 6.8 1.0
O C:GLY45 2.8 6.6 1.0
CE1 C:HIS117 3.0 9.2 1.0
CG C:HIS117 3.0 9.3 1.0
CE1 C:HIS46 3.0 11.1 1.0
O C:HOH398 3.1 22.6 1.0
CB C:CYS112 3.2 7.1 1.0
CG C:HIS46 3.2 8.6 1.0
CB C:HIS117 3.4 8.5 1.0
CA C:HIS46 3.4 7.0 1.0
CB C:HIS46 3.6 7.4 1.0
C C:GLY45 3.8 6.4 1.0
CB C:PHE114 3.8 6.3 1.0
NE2 C:HIS117 4.1 9.2 1.0
N C:HIS46 4.1 5.8 1.0
CD2 C:HIS117 4.1 8.2 1.0
NE2 C:HIS46 4.1 9.3 1.0
CD2 C:HIS46 4.2 8.9 1.0
CA C:CYS112 4.6 6.2 1.0
N C:ASN47 4.6 6.0 1.0
C C:HIS46 4.6 6.4 1.0
O C:MET13 4.7 16.4 1.0
CG C:PHE114 4.7 6.3 1.0
N C:PHE114 4.8 5.8 1.0
CA C:PHE114 4.9 6.0 1.0
CA C:HIS117 4.9 8.7 1.0
C C:MET13 4.9 14.2 1.0
C C:CYS112 5.0 5.2 1.0

Copper binding site 8 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 8 out of 9 in the Crystal Structure of M121G Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Crystal Structure of M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu202

b:11.1
occ:0.60
 CU C:CU202 0.0 11.1 0.6
CU C:CU202 1.7 19.1 0.4
N C:TRS203 1.8 12.3 1.0
NE2 C:HIS83 1.9 10.2 1.0
O A:HOH325 2.4 18.4 1.0
O A:HOH329 2.6 16.4 1.0
CE1 C:HIS83 2.7 9.7 1.0
C C:TRS203 2.8 13.0 1.0
CD2 C:HIS83 3.0 10.0 1.0
C2 C:TRS203 3.0 12.4 1.0
O2 C:TRS203 3.2 13.5 1.0
C1 C:TRS203 3.3 13.4 1.0
N A:ALA1 3.6 19.3 1.0
O A:ALA1 3.8 16.1 1.0
ND1 C:HIS83 3.9 8.6 1.0
CG C:HIS83 4.0 7.3 1.0
C3 C:TRS203 4.1 13.4 1.0
SG A:CYS3 4.3 13.0 1.0
OG A:SER25 4.3 9.7 1.0
O A:SER25 4.3 9.3 1.0
O C:HOH417 4.4 29.8 1.0
O3 C:TRS203 4.5 14.0 1.0
CD1 C:LEU73 4.5 11.6 1.0
O1 C:TRS203 4.5 14.2 1.0
C A:ALA1 4.7 15.6 1.0
CA A:ALA1 4.7 16.9 1.0
C A:SER25 4.8 8.5 1.0
O A:HOH359 5.0 18.5 1.0
CA A:CYS26 5.0 8.7 1.0

Copper binding site 9 out of 9 in 4mfh

Go back to Copper Binding Sites List in 4mfh
Copper binding site 9 out of 9 in the Crystal Structure of M121G Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Crystal Structure of M121G Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu202

b:19.1
occ:0.40
 CU C:CU202 0.0 19.1 0.4
CU C:CU202 1.7 11.1 0.6
N A:ALA1 2.0 19.3 1.0
N C:TRS203 2.1 12.3 1.0
O A:HOH325 2.2 18.4 1.0
O A:ALA1 2.4 16.1 1.0
O2 C:TRS203 2.5 13.5 1.0
NE2 C:HIS83 2.6 10.2 1.0
C2 C:TRS203 3.0 12.4 1.0
CA A:ALA1 3.0 16.9 1.0
C C:TRS203 3.1 13.0 1.0
C A:ALA1 3.1 15.6 1.0
CD2 C:HIS83 3.2 10.0 1.0
CE1 C:HIS83 3.7 9.7 1.0
CB A:ALA1 3.8 20.6 1.0
C3 C:TRS203 3.9 13.4 1.0
O A:HOH329 4.1 16.4 1.0
C1 C:TRS203 4.2 13.4 1.0
SG A:CYS3 4.2 13.0 1.0
OG A:SER25 4.3 9.7 1.0
O A:HOH353 4.3 10.7 1.0
N A:GLU2 4.4 14.7 1.0
CG C:HIS83 4.4 7.3 1.0
O3 C:TRS203 4.5 14.0 1.0
ND1 C:HIS83 4.7 8.6 1.0
O A:HOH330 4.9 15.5 1.0

Reference:

N.A.Sieracki, S.Tian, R.G.Hadt, J.L.Zhang, J.S.Woertink, M.J.Nilges, F.Sun, E.I.Solomon, Y.Lu. Copper-Sulfenate Complex From Oxidation of A Cavity Mutant of Pseudomonas Aeruginosa Azurin. Proc.Natl.Acad.Sci.Usa V. 111 924 2014.
ISSN: ISSN 0027-8424
PubMed: 24390543
DOI: 10.1073/PNAS.1316483111
Page generated: Wed Jul 31 03:17:12 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