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Copper in PDB 4kob: Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I)

Protein crystallography data

The structure of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I), PDB code: 4kob was solved by K.K.Inampudi, W.Meng, P.H.Tobin, C.J.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.85 / 1.87
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.250, 97.220, 100.600, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 22.6

Copper Binding Sites:

The binding sites of Copper atom in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I) (pdb code 4kob). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I), PDB code: 4kob:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 4kob

Go back to Copper Binding Sites List in 4kob
Copper binding site 1 out of 4 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu201

b:18.2
occ:1.00
ND1 A:HIS46 1.9 11.6 1.0
ND1 A:HIS117 2.1 16.5 1.0
SG A:CYS112 2.2 15.6 1.0
O A:GLY45 2.6 16.5 1.0
CE1 A:HIS46 2.8 15.1 1.0
CE1 A:HIS117 3.0 20.4 1.0
CG A:HIS46 3.0 14.2 1.0
CG A:HIS117 3.1 20.1 1.0
SD A:MET121 3.3 17.5 1.0
CB A:CYS112 3.3 17.0 1.0
CA A:HIS46 3.3 13.1 1.0
CB A:HIS117 3.5 19.0 1.0
CB A:HIS46 3.5 15.4 1.0
C A:GLY45 3.6 18.9 1.0
CB A:PHE114 3.7 14.9 1.0
N A:HIS46 3.9 11.8 1.0
NE2 A:HIS46 4.0 13.9 1.0
CE A:MET121 4.0 17.3 1.0
CD2 A:HIS46 4.1 12.5 1.0
NE2 A:HIS117 4.1 19.5 1.0
CD2 A:HIS117 4.2 18.8 1.0
C A:HIS46 4.5 15.1 1.0
CG A:PHE114 4.6 20.6 1.0
N A:ASN47 4.6 12.2 1.0
CA A:CYS112 4.7 13.7 1.0
CG A:MET121 4.8 19.8 1.0
N A:PHE114 4.8 17.0 1.0
CA A:PHE114 4.9 19.5 1.0
O A:MET44 4.9 16.1 1.0
CA A:GLY45 4.9 18.2 1.0
CD2 A:PHE114 5.0 19.2 1.0
CA A:HIS117 5.0 17.8 1.0

Copper binding site 2 out of 4 in 4kob

Go back to Copper Binding Sites List in 4kob
Copper binding site 2 out of 4 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu201

b:15.0
occ:1.00
ND1 B:HIS46 2.1 10.8 1.0
ND1 B:HIS117 2.1 13.4 1.0
SG B:CYS112 2.2 10.7 1.0
O B:GLY45 2.6 11.9 1.0
CE1 B:HIS46 3.0 13.8 1.0
CE1 B:HIS117 3.0 16.3 1.0
CG B:HIS117 3.1 12.0 1.0
CG B:HIS46 3.1 12.0 1.0
CA B:HIS46 3.3 10.1 1.0
CB B:CYS112 3.3 10.2 1.0
SD B:MET121 3.4 12.7 1.0
CB B:HIS117 3.4 11.1 1.0
CB B:HIS46 3.5 11.3 1.0
C B:GLY45 3.6 15.0 1.0
CB B:PHE114 3.8 11.5 1.0
CE B:MET121 3.9 12.6 1.0
N B:HIS46 3.9 10.2 1.0
NE2 B:HIS46 4.1 12.5 1.0
NE2 B:HIS117 4.2 14.2 1.0
CD2 B:HIS117 4.2 14.4 1.0
CD2 B:HIS46 4.2 13.3 1.0
C B:HIS46 4.5 10.8 1.0
N B:ASN47 4.6 10.9 1.0
CG B:PHE114 4.6 14.7 1.0
CA B:CYS112 4.7 10.3 1.0
N B:PHE114 4.8 12.9 1.0
CA B:PHE114 4.9 11.8 1.0
CA B:HIS117 4.9 12.0 1.0
CG B:MET121 4.9 11.8 1.0
CA B:GLY45 4.9 13.4 1.0

Copper binding site 3 out of 4 in 4kob

Go back to Copper Binding Sites List in 4kob
Copper binding site 3 out of 4 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu201

b:14.6
occ:1.00
ND1 C:HIS46 2.0 8.6 1.0
ND1 C:HIS117 2.0 11.9 1.0
SG C:CYS112 2.3 11.7 1.0
O C:GLY45 2.6 12.7 1.0
CE1 C:HIS46 2.9 11.0 1.0
CE1 C:HIS117 3.0 13.3 1.0
CG C:HIS117 3.1 14.4 1.0
CG C:HIS46 3.1 12.1 1.0
SD C:MET121 3.2 12.7 1.0
CB C:CYS112 3.3 10.9 1.0
CA C:HIS46 3.3 10.1 1.0
CB C:HIS117 3.5 11.4 1.0
CB C:HIS46 3.5 10.5 1.0
C C:GLY45 3.6 12.5 1.0
CE C:MET121 3.7 11.2 1.0
CB C:PHE114 3.8 10.5 1.0
N C:HIS46 3.9 11.1 1.0
NE2 C:HIS46 4.1 13.6 1.0
NE2 C:HIS117 4.1 14.1 1.0
CD2 C:HIS46 4.2 14.1 1.0
CD2 C:HIS117 4.2 13.4 1.0
C C:HIS46 4.5 11.1 1.0
N C:ASN47 4.6 9.3 1.0
CG C:PHE114 4.6 14.2 1.0
CA C:CYS112 4.7 10.8 1.0
CG C:MET121 4.7 11.4 1.0
N C:PHE114 4.8 10.2 1.0
CA C:PHE114 4.9 11.0 1.0
CA C:GLY45 4.9 13.6 1.0
CA C:HIS117 5.0 13.6 1.0

Copper binding site 4 out of 4 in 4kob

Go back to Copper Binding Sites List in 4kob
Copper binding site 4 out of 4 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu201

b:17.1
occ:1.00
ND1 D:HIS46 2.0 12.3 1.0
ND1 D:HIS117 2.1 17.2 1.0
SG D:CYS112 2.2 14.1 1.0
O D:GLY45 2.7 13.3 1.0
CE1 D:HIS46 2.9 14.6 1.0
CE1 D:HIS117 3.0 19.3 1.0
CG D:HIS117 3.1 16.8 1.0
CG D:HIS46 3.1 13.4 1.0
CB D:CYS112 3.3 10.8 1.0
SD D:MET121 3.3 15.7 1.0
CA D:HIS46 3.3 13.5 1.0
CB D:HIS117 3.4 12.9 1.0
CB D:HIS46 3.5 12.3 1.0
C D:GLY45 3.6 14.6 1.0
CB D:PHE114 3.8 17.5 1.0
N D:HIS46 3.9 10.8 1.0
CE D:MET121 4.0 12.7 1.0
NE2 D:HIS46 4.1 16.1 1.0
NE2 D:HIS117 4.1 16.8 1.0
CD2 D:HIS46 4.2 14.0 1.0
CD2 D:HIS117 4.2 16.1 1.0
C D:HIS46 4.5 12.4 1.0
N D:ASN47 4.6 12.9 1.0
CG D:PHE114 4.6 19.1 1.0
CA D:CYS112 4.7 12.8 1.0
CG D:MET121 4.7 14.1 1.0
N D:PHE114 4.8 16.5 1.0
CA D:PHE114 4.9 16.6 1.0
CA D:HIS117 5.0 16.4 1.0
CA D:GLY45 5.0 14.3 1.0

Reference:

K.K.Inampudi, W.Meng, P.H.Tobin, C.J.Wilson. Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I) To Be Published.
Page generated: Sun Dec 13 11:15:07 2020

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