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Manganese in PDB 6kxu: BON1

Protein crystallography data

The structure of BON1, PDB code: 6kxu was solved by Q.C.Wang, M.Q.Jiang, M.N.Isupov, L.F.Sun, Y.K.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.31 / 2.83
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 122.406, 118.705, 222.317, 90.00, 90.03, 90.00
R / Rfree (%) 20.4 / 25

Other elements in 6kxu:

The structure of BON1 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the BON1 (pdb code 6kxu). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 10 binding sites of Manganese where determined in the BON1, PDB code: 6kxu:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 10 in 6kxu

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Manganese binding site 1 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn605

b:0.4
occ:0.60
OG1 A:THR320 2.0 67.7 1.0
OG A:SER322 2.0 98.0 1.0
OD2 A:ASP318 2.1 0.6 1.0
OD1 A:ASP448 2.1 0.5 1.0
OG1 A:THR416 2.1 98.8 1.0
CG A:ASP318 3.1 86.7 1.0
CB A:THR320 3.2 56.3 1.0
CG A:ASP448 3.3 88.8 1.0
CB A:SER322 3.4 80.0 1.0
OD1 A:ASP318 3.5 0.2 1.0
CB A:THR416 3.5 77.2 1.0
CG2 A:THR320 3.5 45.8 1.0
N A:GLY449 3.9 93.5 1.0
CG2 A:THR416 4.0 95.2 1.0
OD2 A:ASP448 4.1 0.2 1.0
OG1 A:THR447 4.2 61.0 1.0
N A:ASP448 4.4 67.3 1.0
CB A:ASP448 4.4 82.2 1.0
CA A:GLY449 4.4 77.8 1.0
CA A:THR320 4.4 49.1 1.0
CB A:ASP318 4.5 70.0 1.0
C A:ASP448 4.6 94.0 1.0
CA A:SER322 4.7 61.6 1.0
CA A:ASP448 4.7 85.6 1.0
CA A:THR416 4.7 69.8 1.0
N A:THR320 4.8 62.4 1.0
C A:THR320 4.9 53.2 1.0
N A:SER322 4.9 56.6 1.0
O A:THR320 4.9 73.4 1.0
ND2 A:ASN323 5.0 57.3 1.0
C A:GLY449 5.0 87.7 1.0

Manganese binding site 2 out of 10 in 6kxu

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Manganese binding site 2 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn602

b:0.7
occ:0.60
OG1 B:THR320 2.0 91.1 1.0
OG B:SER322 2.0 0.4 1.0
OD2 B:ASP318 2.0 0.3 1.0
OD1 B:ASP448 2.0 0.4 1.0
OG1 B:THR416 2.1 0.2 1.0
CG B:ASP318 3.1 93.9 1.0
CB B:THR320 3.2 87.8 1.0
CG B:ASP448 3.3 86.8 1.0
CB B:SER322 3.4 85.3 1.0
OD1 B:ASP318 3.4 0.3 1.0
CB B:THR416 3.5 0.8 1.0
CG2 B:THR320 3.5 66.1 1.0
N B:GLY449 3.9 0.5 1.0
CG2 B:THR416 4.0 0.6 1.0
OD2 B:ASP448 4.0 0.4 1.0
OG1 B:THR447 4.2 0.1 1.0
N B:ASP448 4.4 86.7 1.0
CB B:ASP448 4.4 78.5 1.0
CA B:GLY449 4.4 96.8 1.0
CA B:THR320 4.4 85.8 1.0
CB B:ASP318 4.5 87.1 1.0
C B:ASP448 4.6 0.6 1.0
CA B:SER322 4.7 74.0 1.0
CA B:ASP448 4.7 95.9 1.0
CA B:THR416 4.7 0.4 1.0
N B:THR320 4.7 79.9 1.0
C B:THR320 4.8 86.9 1.0
O B:THR320 4.9 0.7 1.0
N B:SER322 4.9 75.7 1.0
ND2 B:ASN323 4.9 83.4 1.0

Manganese binding site 3 out of 10 in 6kxu

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Manganese binding site 3 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn606

b:0.1
occ:0.60
OG1 C:THR320 2.0 86.0 1.0
OG C:SER322 2.0 0.9 1.0
OD2 C:ASP318 2.0 0.3 1.0
OD1 C:ASP448 2.1 0.4 1.0
OG1 C:THR416 2.1 94.1 1.0
CG C:ASP318 3.1 0.3 1.0
CB C:THR320 3.2 78.8 1.0
CG C:ASP448 3.3 92.6 1.0
CB C:SER322 3.4 72.6 1.0
OD1 C:ASP318 3.5 0.9 1.0
CB C:THR416 3.5 73.1 1.0
CG2 C:THR320 3.6 74.0 1.0
N C:GLY449 3.9 88.5 1.0
CG2 C:THR416 4.0 88.5 1.0
OD2 C:ASP448 4.1 96.1 1.0
OG1 C:THR447 4.1 85.3 1.0
N C:ASP448 4.3 75.1 1.0
CA C:GLY449 4.4 77.9 1.0
CB C:ASP448 4.4 82.1 1.0
CA C:THR320 4.4 73.7 1.0
CB C:ASP318 4.5 83.9 1.0
C C:ASP448 4.6 85.5 1.0
CA C:SER322 4.7 68.4 1.0
CA C:ASP448 4.7 78.0 1.0
CA C:THR416 4.7 86.0 1.0
N C:THR320 4.8 78.5 1.0
C C:THR320 4.9 69.8 1.0
N C:SER322 4.9 65.7 1.0
O C:THR320 4.9 60.2 1.0
C C:GLY449 4.9 0.9 1.0

Manganese binding site 4 out of 10 in 6kxu

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Manganese binding site 4 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn603

b:0.1
occ:0.60
OG1 D:THR320 1.9 0.2 1.0
OD1 D:ASP448 1.9 0.2 1.0
OD2 D:ASP318 2.0 0.0 1.0
OG D:SER322 2.0 86.8 1.0
OD1 D:ASP318 2.3 0.9 1.0
CG D:ASP318 2.4 91.1 1.0
CG D:ASP448 2.7 87.9 1.0
CB D:THR320 3.2 84.4 1.0
ND2 D:ASN323 3.3 63.7 1.0
OD2 D:ASP448 3.3 90.7 1.0
CB D:SER322 3.3 60.6 1.0
O D:THR320 3.6 60.9 1.0
CB D:ASP448 3.6 77.9 1.0
OG1 D:THR416 3.7 55.6 1.0
CG D:ASN323 3.8 67.6 1.0
CA D:THR320 3.8 72.3 1.0
CB D:ASP318 3.9 79.7 1.0
CG2 D:THR320 3.9 80.7 1.0
N D:THR320 3.9 62.8 1.0
C D:THR320 4.0 70.6 1.0
OD1 D:ASN323 4.1 58.6 1.0
N D:ASP448 4.1 62.9 1.0
CA D:SER322 4.2 68.5 1.0
N D:ASN323 4.4 58.6 1.0
N D:SER322 4.4 70.9 1.0
CA D:ASP448 4.4 77.2 1.0
N D:GLY449 4.5 82.2 1.0
OH D:TYR344 4.6 72.0 1.0
C D:SER322 4.6 75.4 1.0
OG1 D:THR447 4.7 77.7 1.0
C D:ASP448 4.8 86.8 1.0
CB D:ASN323 4.8 56.6 1.0
C D:ASP318 4.8 79.9 1.0
CA D:ASP318 4.9 69.8 1.0
O D:ASP318 5.0 90.7 1.0

Manganese binding site 5 out of 10 in 6kxu

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Manganese binding site 5 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn604

b:0.9
occ:0.60
O D:ARG363 2.0 0.8 1.0
OD1 D:ASP361 2.0 95.5 1.0
OD2 D:ASP359 2.1 0.8 1.0
OE2 D:GLU392 2.1 0.2 1.0
C D:ARG363 2.9 96.9 1.0
CG D:ASP361 3.1 0.4 1.0
CG D:ASP359 3.1 0.8 1.0
N D:ARG363 3.3 0.3 1.0
CD D:GLU392 3.4 0.4 1.0
OD1 D:ASP359 3.4 0.8 1.0
CA D:ARG363 3.4 0.9 1.0
OD2 D:ASP361 3.5 0.4 1.0
CB D:ARG363 3.7 1.0 1.0
ND2 D:ASN312 3.8 0.2 1.0
OE1 D:GLU392 4.0 0.4 1.0
N D:PHE364 4.1 77.2 1.0
C D:LYS362 4.3 95.6 1.0
N D:LYS362 4.3 77.0 1.0
CB D:ASP361 4.4 84.9 1.0
NZ D:LYS439 4.5 73.9 1.0
CB D:ASP359 4.5 92.4 1.0
CG D:GLU392 4.6 96.9 1.0
CA D:PHE364 4.6 73.3 1.0
CA D:LYS362 4.7 85.2 1.0
CB D:ASN312 4.7 75.8 1.0
CG D:ASN312 4.7 85.2 1.0
CD1 D:PHE364 4.8 72.5 1.0
CG D:ARG363 4.8 0.4 1.0
C D:ASP361 4.8 75.1 1.0

Manganese binding site 6 out of 10 in 6kxu

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Manganese binding site 6 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn601

b:0.4
occ:0.70
OG1 E:THR320 2.0 79.7 1.0
OD1 E:ASP448 2.0 91.8 1.0
OG E:SER322 2.0 76.5 1.0
OD2 E:ASP318 2.1 98.3 1.0
OG1 E:THR416 2.1 97.2 1.0
CG E:ASP318 3.1 69.9 1.0
CB E:THR320 3.2 78.2 1.0
CG E:ASP448 3.3 86.3 1.0
CB E:SER322 3.4 78.3 1.0
OD1 E:ASP318 3.5 78.3 1.0
CB E:THR416 3.5 88.8 1.0
CG2 E:THR320 3.5 80.4 1.0
N E:GLY449 3.9 83.2 1.0
CG2 E:THR416 4.0 85.6 1.0
OD2 E:ASP448 4.1 93.8 1.0
OG1 E:THR447 4.2 92.5 1.0
CB E:ASP448 4.3 79.0 1.0
N E:ASP448 4.3 81.4 1.0
CA E:GLY449 4.4 91.0 1.0
CA E:THR320 4.4 66.5 1.0
CB E:ASP318 4.5 59.7 1.0
C E:ASP448 4.5 83.5 1.0
CA E:ASP448 4.7 78.6 1.0
CA E:THR416 4.7 83.9 1.0
CA E:SER322 4.7 53.9 1.0
N E:THR320 4.8 77.3 1.0
C E:THR320 4.9 72.1 1.0
O E:THR320 4.9 94.9 1.0
N E:SER322 4.9 66.2 1.0
ND2 E:ASN323 5.0 72.3 1.0
C E:GLY449 5.0 94.4 1.0

Manganese binding site 7 out of 10 in 6kxu

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Manganese binding site 7 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn603

b:0.4
occ:0.70
OD2 F:ASP318 1.9 0.2 1.0
OD1 F:ASP448 2.0 0.7 1.0
OG1 F:THR416 2.2 83.2 1.0
OG1 F:THR320 2.2 74.4 1.0
OG F:SER322 2.2 82.0 1.0
OG1 F:THR447 2.4 0.9 1.0
CG F:ASP318 3.0 79.5 1.0
CG F:ASP448 3.3 0.4 1.0
OD1 F:ASP318 3.4 0.3 1.0
CB F:THR320 3.4 73.7 1.0
CB F:THR416 3.5 69.3 1.0
CB F:SER322 3.6 74.2 1.0
CG2 F:THR320 3.7 79.3 1.0
N F:GLY449 3.7 0.7 1.0
CG2 F:THR416 3.8 72.4 1.0
CB F:THR447 3.9 0.9 1.0
N F:ASP448 4.1 75.8 1.0
OD2 F:ASP448 4.1 0.5 1.0
CB F:ASP448 4.2 84.2 1.0
CB F:ASP318 4.3 69.0 1.0
CA F:GLY449 4.3 0.4 1.0
C F:ASP448 4.4 0.5 1.0
CA F:ASP448 4.5 91.5 1.0
CA F:THR320 4.6 61.6 1.0
CA F:THR416 4.7 65.1 1.0
CG2 F:THR447 4.8 88.5 1.0
C F:GLY449 4.8 0.8 1.0
CA F:SER322 4.8 71.3 1.0
N F:THR320 4.9 77.5 1.0
O F:GLY449 4.9 0.6 1.0
ND2 F:ASN323 4.9 68.2 1.0

Manganese binding site 8 out of 10 in 6kxu

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Manganese binding site 8 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn604

b:91.7
occ:0.60
OD2 F:ASP359 2.0 88.2 1.0
O F:ARG363 2.1 0.1 1.0
C F:ARG363 2.9 73.0 1.0
N F:ARG363 2.9 79.9 1.0
CG F:ASP359 3.0 0.3 1.0
CA F:ARG363 3.3 75.4 1.0
OD1 F:ASP359 3.4 0.1 1.0
CB F:ARG363 3.8 94.3 1.0
N F:LYS362 3.8 83.1 1.0
C F:LYS362 3.8 73.3 1.0
OE1 F:GLU392 3.9 0.5 1.0
OD1 F:ASN312 4.0 0.6 1.0
N F:PHE364 4.0 71.6 1.0
CB F:ASP361 4.1 0.3 1.0
CA F:LYS362 4.1 63.5 1.0
CB F:ASP359 4.4 90.8 1.0
CD1 F:PHE364 4.4 86.9 1.0
C F:ASP361 4.4 75.2 1.0
CD F:GLU392 4.4 0.6 1.0
NZ F:LYS439 4.4 66.0 1.0
CA F:PHE364 4.6 75.9 1.0
CG F:ARG363 4.7 0.5 1.0
CE1 F:PHE364 4.7 82.4 1.0
CG F:ASN312 4.7 99.8 1.0
CB F:ASN312 4.7 90.1 1.0
CA F:ASP361 4.7 78.0 1.0
O F:LYS362 4.8 74.0 1.0
OE2 F:GLU392 4.9 0.2 1.0
N F:ASP361 5.0 86.2 1.0

Manganese binding site 9 out of 10 in 6kxu

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Manganese binding site 9 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn602

b:0.8
occ:0.70
OG1 G:THR320 2.0 67.7 1.0
OG G:SER322 2.0 51.0 1.0
OD1 G:ASP448 2.0 91.2 1.0
OG1 G:THR416 2.1 82.3 1.0
OD2 G:ASP318 2.1 87.4 1.0
CG G:ASP318 3.2 69.3 1.0
CB G:THR320 3.2 65.5 1.0
CG G:ASP448 3.3 82.7 1.0
CB G:SER322 3.4 62.1 1.0
CB G:THR416 3.5 64.4 1.0
OD1 G:ASP318 3.5 78.9 1.0
CG2 G:THR320 3.6 56.7 1.0
N G:GLY449 3.9 84.2 1.0
CG2 G:THR416 4.0 63.6 1.0
OD2 G:ASP448 4.1 77.6 1.0
OG1 G:THR447 4.2 79.8 1.0
CA G:GLY449 4.4 74.8 1.0
CB G:ASP448 4.4 70.8 1.0
N G:ASP448 4.4 71.2 1.0
CA G:THR320 4.4 68.2 1.0
C G:ASP448 4.5 87.0 1.0
CB G:ASP318 4.6 68.7 1.0
CA G:SER322 4.6 55.5 1.0
CA G:ASP448 4.7 68.8 1.0
CA G:THR416 4.7 70.7 1.0
N G:THR320 4.8 69.8 1.0
N G:SER322 4.9 67.5 1.0
C G:THR320 4.9 72.2 1.0
O G:THR320 4.9 71.0 1.0
C G:GLY449 5.0 77.7 1.0

Manganese binding site 10 out of 10 in 6kxu

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Manganese binding site 10 out of 10 in the BON1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of BON1 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn603

b:0.4
occ:0.70
OG1 H:THR320 2.0 69.1 1.0
OG H:SER322 2.0 52.0 1.0
OD1 H:ASP448 2.0 80.0 1.0
OD2 H:ASP318 2.1 0.3 1.0
OG1 H:THR416 2.1 91.4 1.0
CG H:ASP318 3.1 92.5 1.0
CB H:THR320 3.2 63.8 1.0
CG H:ASP448 3.3 76.0 1.0
CB H:SER322 3.4 76.2 1.0
OD1 H:ASP318 3.5 0.0 1.0
CB H:THR416 3.5 72.6 1.0
CG2 H:THR320 3.5 58.5 1.0
N H:GLY449 3.9 83.3 1.0
CG2 H:THR416 4.0 68.5 1.0
OD2 H:ASP448 4.0 74.2 1.0
OG1 H:THR447 4.2 99.5 1.0
CB H:ASP448 4.4 70.0 1.0
N H:ASP448 4.4 94.3 1.0
CA H:GLY449 4.4 99.6 1.0
CA H:THR320 4.4 65.5 1.0
CB H:ASP318 4.5 87.4 1.0
C H:ASP448 4.5 88.3 1.0
CA H:SER322 4.6 71.6 1.0
CA H:ASP448 4.7 79.1 1.0
CA H:THR416 4.7 75.0 1.0
N H:THR320 4.8 70.0 1.0
C H:THR320 4.9 71.9 1.0
N H:SER322 4.9 78.6 1.0
O H:THR320 4.9 66.8 1.0
ND2 H:ASN323 5.0 84.4 1.0

Reference:

Q.C.Wang, M.Q.Jiang, M.N.Isupov, L.F.Sun, Y.K.Wu. Crystal Structure of An Arabidopsis Copine Providing Insights Into This Protein Family To Be Published.
Page generated: Sun Oct 6 05:21:41 2024

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