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Copper in PDB 1gr7: Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution

Protein crystallography data

The structure of Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution, PDB code: 1gr7 was solved by M.Okvist, N.Bonander, A.Sandberg, B.G.Karlsson, U.Krengel, Y.Xue, L.Sjolin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.55 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 47.790, 100.120, 106.370, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 20.8

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution (pdb code 1gr7). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution, PDB code: 1gr7:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 1gr7

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Copper binding site 1 out of 4 in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution


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 the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu601

b:18.0
occ:1.00
ND1 A:HIS46 1.9 16.5 1.0
ND1 A:HIS117 2.0 15.5 1.0
SG A:CYS112 2.2 16.4 1.0
O A:GLY45 2.4 17.4 1.0
CE1 A:HIS46 2.8 17.3 1.0
CE1 A:HIS117 2.9 16.4 1.0
CG A:HIS117 3.1 15.5 1.0
CG A:HIS46 3.1 15.6 1.0
SD A:MET121 3.3 16.7 1.0
CA A:HIS46 3.3 16.0 1.0
CB A:CYS112 3.3 13.8 1.0
C A:GLY45 3.4 18.1 1.0
CB A:HIS117 3.5 15.6 1.0
CB A:HIS46 3.5 17.0 1.0
N A:HIS46 3.8 16.9 1.0
CB A:PHE114 3.8 16.3 1.0
NE2 A:HIS46 4.0 16.5 1.0
NE2 A:HIS117 4.1 18.3 1.0
CE A:MET121 4.1 16.4 1.0
CD2 A:HIS46 4.1 16.8 1.0
CD2 A:HIS117 4.1 17.7 1.0
C A:HIS46 4.6 16.2 1.0
CG A:PHE114 4.6 16.2 1.0
N A:ASN47 4.7 16.5 1.0
CA A:CYS112 4.7 13.6 1.0
CA A:GLY45 4.7 18.3 1.0
CG A:MET121 4.8 15.7 1.0
N A:PHE114 4.9 16.7 1.0
N A:GLY45 4.9 18.6 1.0
CA A:PHE114 4.9 16.6 1.0
CA A:HIS117 5.0 15.9 1.0

Copper binding site 2 out of 4 in 1gr7

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Copper binding site 2 out of 4 in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution


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 the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu602

b:17.6
occ:1.00
ND1 B:HIS46 2.0 15.1 1.0
ND1 B:HIS117 2.0 15.5 1.0
SG B:CYS112 2.2 16.7 1.0
O B:GLY45 2.3 18.4 1.0
CE1 B:HIS46 2.9 15.8 1.0
CE1 B:HIS117 2.9 15.3 1.0
CG B:HIS117 3.1 17.2 1.0
CG B:HIS46 3.1 14.9 1.0
CA B:HIS46 3.2 16.2 1.0
C B:GLY45 3.3 17.7 1.0
CB B:CYS112 3.4 15.5 1.0
SD B:MET121 3.4 17.8 1.0
CB B:HIS117 3.5 16.6 1.0
CB B:HIS46 3.5 16.6 1.0
N B:HIS46 3.7 17.4 1.0
CB B:PHE114 3.7 16.3 1.0
NE2 B:HIS46 4.1 17.8 1.0
NE2 B:HIS117 4.1 17.3 1.0
CE B:MET121 4.1 21.1 1.0
CD2 B:HIS117 4.2 15.8 1.0
CD2 B:HIS46 4.2 18.2 1.0
C B:HIS46 4.5 16.4 1.0
CG B:PHE114 4.6 17.3 1.0
CA B:GLY45 4.6 18.8 1.0
N B:ASN47 4.7 17.4 1.0
CA B:CYS112 4.8 14.8 1.0
N B:PHE114 4.8 16.3 1.0
O B:MET44 4.8 18.3 1.0
N B:GLY45 4.8 19.2 1.0
CA B:PHE114 4.9 16.8 1.0
CG B:MET121 4.9 17.0 1.0
C B:MET44 4.9 18.9 1.0
CA B:HIS117 5.0 16.5 1.0

Copper binding site 3 out of 4 in 1gr7

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Copper binding site 3 out of 4 in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution


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 the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu603

b:19.3
occ:1.00
ND1 C:HIS117 2.0 16.1 1.0
ND1 C:HIS46 2.0 12.2 1.0
O C:GLY45 2.2 16.4 1.0
SG C:CYS112 2.3 13.8 1.0
CE1 C:HIS117 2.9 18.6 1.0
CE1 C:HIS46 3.0 12.3 1.0
CG C:HIS117 3.1 17.3 1.0
CG C:HIS46 3.1 15.0 1.0
CA C:HIS46 3.2 16.3 1.0
C C:GLY45 3.2 16.2 1.0
CB C:CYS112 3.4 15.7 1.0
SD C:MET121 3.4 16.6 1.0
CB C:HIS117 3.5 16.0 1.0
CB C:HIS46 3.5 16.8 1.0
N C:HIS46 3.6 16.2 1.0
CB C:PHE114 3.7 16.9 1.0
NE2 C:HIS117 4.1 18.2 1.0
CE C:MET121 4.1 18.9 1.0
NE2 C:HIS46 4.1 15.7 1.0
CD2 C:HIS117 4.2 15.0 1.0
CD2 C:HIS46 4.2 16.6 1.0
C C:HIS46 4.4 16.6 1.0
CG C:PHE114 4.6 16.1 1.0
CA C:GLY45 4.6 18.3 1.0
N C:ASN47 4.6 16.3 1.0
N C:PHE114 4.7 15.9 1.0
CA C:CYS112 4.7 14.8 1.0
N C:GLY45 4.8 18.1 1.0
CA C:PHE114 4.9 17.1 1.0
CG C:MET121 4.9 14.9 1.0
C C:MET44 4.9 18.1 1.0
CA C:HIS117 4.9 16.8 1.0
O C:MET44 5.0 19.1 1.0

Copper binding site 4 out of 4 in 1gr7

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Copper binding site 4 out of 4 in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution


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 the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu604

b:19.4
occ:1.00
ND1 D:HIS117 2.0 16.7 1.0
ND1 D:HIS46 2.0 14.9 1.0
SG D:CYS112 2.3 12.9 1.0
O D:GLY45 2.4 15.8 1.0
CE1 D:HIS117 2.9 18.2 1.0
CE1 D:HIS46 2.9 14.9 1.0
CG D:HIS117 3.0 15.6 1.0
CG D:HIS46 3.1 15.2 1.0
CA D:HIS46 3.3 17.0 1.0
SD D:MET121 3.3 17.4 1.0
CB D:CYS112 3.3 12.6 1.0
C D:GLY45 3.4 16.7 1.0
CB D:HIS117 3.5 16.8 1.0
CB D:HIS46 3.5 16.8 1.0
N D:HIS46 3.8 16.6 1.0
CB D:PHE114 3.9 16.8 1.0
CE D:MET121 4.0 17.0 1.0
NE2 D:HIS117 4.0 16.6 1.0
NE2 D:HIS46 4.1 16.8 1.0
CD2 D:HIS117 4.1 15.1 1.0
CD2 D:HIS46 4.2 16.8 1.0
C D:HIS46 4.6 18.3 1.0
CG D:PHE114 4.7 18.0 1.0
N D:ASN47 4.7 18.5 1.0
CA D:GLY45 4.7 17.9 1.0
CA D:CYS112 4.7 12.7 1.0
N D:PHE114 4.8 16.0 1.0
CG D:MET121 4.8 17.3 1.0
CA D:PHE114 4.9 16.3 1.0
N D:GLY45 4.9 18.9 1.0
CA D:HIS117 5.0 17.6 1.0

Reference:

M.Okvist, N.Bonander, A.Sandberg, B.G.Karlsson, U.Krengel, Y.Xue, L.Sjolin. Crystal Structure of the Double Azurin Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution: Its Folding-Unfolding Energy and Unfolding Kinetics. Biochim.Biophys.Acta V.1596 336 2002.
ISSN: ISSN 0006-3002
PubMed: 12007613
DOI: 10.1016/S0167-4838(02)00215-7
Page generated: Wed Sep 2 21:45:33 2020
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