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Manganese in PDB 3fij: Crystal Structure of A Uncharacterized Protein LIN1909

Protein crystallography data

The structure of Crystal Structure of A Uncharacterized Protein LIN1909, PDB code: 3fij was solved by R.Sugadev, S.K.Burley, S.Swaminathan, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.10 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 91.056, 131.205, 93.290, 90.00, 108.79, 90.00
R / Rfree (%) 21.7 / 26.9

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of A Uncharacterized Protein LIN1909 (pdb code 3fij). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Crystal Structure of A Uncharacterized Protein LIN1909, PDB code: 3fij:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 3fij

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Manganese binding site 1 out of 8 in the Crystal Structure of A Uncharacterized Protein LIN1909


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of A Uncharacterized Protein LIN1909 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn300

b:15.6
occ:1.00
ND1 A:HIS143 2.2 17.0 1.0
OG A:SER176 2.2 13.6 1.0
O A:HOH617 2.3 13.4 1.0
NE2 A:HIS178 2.3 16.3 1.0
NE2 A:HIS154 2.3 12.3 1.0
OE2 A:GLU201 2.4 13.7 1.0
CE1 A:HIS143 2.9 16.6 1.0
CB A:SER176 3.2 11.1 1.0
CE1 A:HIS178 3.2 15.2 1.0
CD2 A:HIS154 3.3 12.7 1.0
CD A:GLU201 3.3 15.4 1.0
CG A:HIS143 3.3 17.0 1.0
CD2 A:HIS178 3.3 14.1 1.0
CE1 A:HIS154 3.3 13.7 1.0
OE1 A:GLU201 3.5 14.1 1.0
CB A:HIS143 3.8 16.4 1.0
O A:HOH257 4.0 6.2 1.0
NE2 A:HIS143 4.1 17.9 1.0
CA A:SER176 4.1 13.0 1.0
CG A:GLN216 4.2 13.1 1.0
CA A:HIS143 4.3 16.3 1.0
ND1 A:HIS178 4.3 14.8 1.0
CD2 A:HIS143 4.3 13.6 1.0
CG A:HIS178 4.4 14.2 1.0
ND1 A:HIS154 4.4 13.5 1.0
CG A:HIS154 4.4 14.6 1.0
O A:HIS143 4.5 15.0 1.0
O A:ASN175 4.5 12.9 1.0
CG A:GLU201 4.7 13.0 1.0
C A:HIS143 4.9 15.8 1.0
CB A:GLN216 5.0 11.9 1.0

Manganese binding site 2 out of 8 in 3fij

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Manganese binding site 2 out of 8 in the Crystal Structure of A Uncharacterized Protein LIN1909


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Uncharacterized Protein LIN1909 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn300

b:16.6
occ:1.00
ND1 B:HIS143 2.2 15.4 1.0
NE2 B:HIS154 2.3 10.2 1.0
O B:HOH616 2.3 8.3 1.0
NE2 B:HIS178 2.4 18.0 1.0
OE2 B:GLU201 2.4 12.7 1.0
OG B:SER176 2.5 7.5 1.0
CE1 B:HIS143 3.0 13.4 1.0
CB B:SER176 3.2 11.4 1.0
CE1 B:HIS154 3.2 12.2 1.0
CD B:GLU201 3.2 14.7 1.0
CD2 B:HIS154 3.3 10.6 1.0
CG B:HIS143 3.3 15.0 1.0
CE1 B:HIS178 3.3 14.4 1.0
CD2 B:HIS178 3.3 15.6 1.0
OE1 B:GLU201 3.4 16.2 1.0
CB B:HIS143 3.7 14.2 1.0
O B:HOH288 3.8 32.3 1.0
CA B:SER176 4.1 12.0 1.0
NE2 B:HIS143 4.2 15.1 1.0
CA B:HIS143 4.2 16.0 1.0
CG B:GLN216 4.3 14.1 1.0
ND1 B:HIS154 4.3 12.6 1.0
CD2 B:HIS143 4.4 12.8 1.0
ND1 B:HIS178 4.4 14.9 1.0
CG B:HIS154 4.4 12.2 1.0
CG B:HIS178 4.5 14.5 1.0
O B:HIS143 4.5 16.1 1.0
CG B:GLU201 4.6 14.7 1.0
O B:ASN175 4.6 14.0 1.0
C B:HIS143 4.9 17.1 1.0

Manganese binding site 3 out of 8 in 3fij

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Manganese binding site 3 out of 8 in the Crystal Structure of A Uncharacterized Protein LIN1909


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of A Uncharacterized Protein LIN1909 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn300

b:16.9
occ:1.00
ND1 C:HIS143 2.2 18.2 1.0
OE2 C:GLU201 2.2 21.8 1.0
OG C:SER176 2.3 17.3 1.0
NE2 C:HIS178 2.3 16.9 1.0
O C:HOH255 2.3 12.2 1.0
NE2 C:HIS154 2.4 18.5 1.0
CE1 C:HIS143 2.9 20.3 1.0
CD C:GLU201 3.1 21.6 1.0
CD2 C:HIS178 3.2 20.2 1.0
CB C:SER176 3.2 14.0 1.0
CE1 C:HIS178 3.3 16.0 1.0
OE1 C:GLU201 3.3 22.4 1.0
CD2 C:HIS154 3.4 17.1 1.0
CG C:HIS143 3.4 19.4 1.0
CE1 C:HIS154 3.4 18.2 1.0
CB C:HIS143 3.9 18.1 1.0
O C:HOH268 4.1 17.0 1.0
NE2 C:HIS143 4.2 20.3 1.0
CA C:SER176 4.2 17.0 1.0
CG C:GLN216 4.3 17.4 1.0
CA C:HIS143 4.3 17.8 1.0
CG C:GLU201 4.4 20.9 1.0
CD2 C:HIS143 4.4 17.6 1.0
CG C:HIS178 4.4 22.0 1.0
ND1 C:HIS178 4.4 18.2 1.0
O C:HIS143 4.5 16.5 1.0
O C:ASN175 4.5 17.7 1.0
ND1 C:HIS154 4.5 18.5 1.0
CG C:HIS154 4.5 19.8 1.0
C C:HIS143 4.9 19.1 1.0
CG2 C:THR195 4.9 21.4 1.0

Manganese binding site 4 out of 8 in 3fij

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Manganese binding site 4 out of 8 in the Crystal Structure of A Uncharacterized Protein LIN1909


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of A Uncharacterized Protein LIN1909 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn300

b:15.5
occ:1.00
O D:HOH619 2.0 12.8 1.0
ND1 D:HIS143 2.1 14.6 1.0
OE2 D:GLU201 2.3 16.8 1.0
OG D:SER176 2.3 15.3 1.0
NE2 D:HIS178 2.3 11.6 1.0
NE2 D:HIS154 2.5 14.6 1.0
CE1 D:HIS143 2.9 12.1 1.0
CD D:GLU201 3.2 18.4 1.0
CB D:SER176 3.2 13.9 1.0
CG D:HIS143 3.2 12.8 1.0
CE1 D:HIS178 3.3 10.8 1.0
CD2 D:HIS178 3.3 12.9 1.0
OE1 D:GLU201 3.4 19.3 1.0
CD2 D:HIS154 3.5 14.0 1.0
CE1 D:HIS154 3.5 13.6 1.0
CB D:HIS143 3.7 12.2 1.0
O D:HOH276 4.0 15.4 1.0
NE2 D:HIS143 4.1 12.3 1.0
CA D:HIS143 4.2 13.0 1.0
CA D:SER176 4.2 14.8 1.0
CD2 D:HIS143 4.3 9.9 1.0
CG D:GLN216 4.3 16.2 1.0
O D:HIS143 4.4 14.9 1.0
ND1 D:HIS178 4.4 11.0 1.0
CG D:HIS178 4.4 12.9 1.0
O D:ASN175 4.5 15.7 1.0
CG D:GLU201 4.6 17.2 1.0
ND1 D:HIS154 4.6 12.8 1.0
CG D:HIS154 4.6 13.5 1.0
C D:HIS143 4.8 13.8 1.0

Manganese binding site 5 out of 8 in 3fij

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Manganese binding site 5 out of 8 in the Crystal Structure of A Uncharacterized Protein LIN1909


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of A Uncharacterized Protein LIN1909 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn300

b:17.1
occ:1.00
ND1 E:HIS143 2.0 15.2 1.0
NE2 E:HIS178 2.2 23.7 1.0
O E:HOH618 2.2 14.3 1.0
OE2 E:GLU201 2.3 17.6 1.0
OG E:SER176 2.3 13.9 1.0
NE2 E:HIS154 2.4 14.9 1.0
CE1 E:HIS143 2.7 16.3 1.0
CE1 E:HIS178 3.0 21.9 1.0
CB E:SER176 3.1 16.0 1.0
CG E:HIS143 3.2 17.4 1.0
CD2 E:HIS178 3.2 21.6 1.0
CD E:GLU201 3.3 20.4 1.0
CD2 E:HIS154 3.4 12.4 1.0
CE1 E:HIS154 3.4 11.4 1.0
OE1 E:GLU201 3.7 21.2 1.0
CB E:HIS143 3.8 15.8 1.0
NE2 E:HIS143 3.9 15.4 1.0
O E:HOH260 3.9 12.1 1.0
CA E:SER176 4.1 15.1 1.0
CA E:HIS143 4.1 17.0 1.0
CD2 E:HIS143 4.2 14.8 1.0
ND1 E:HIS178 4.2 21.8 1.0
CG E:HIS178 4.3 20.7 1.0
O E:HIS143 4.4 16.8 1.0
CG E:GLN216 4.4 18.3 1.0
ND1 E:HIS154 4.5 13.8 1.0
CG E:HIS154 4.5 14.8 1.0
O E:ASN175 4.6 16.7 1.0
CG E:GLU201 4.6 18.5 1.0
C E:HIS143 4.8 16.8 1.0

Manganese binding site 6 out of 8 in 3fij

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Manganese binding site 6 out of 8 in the Crystal Structure of A Uncharacterized Protein LIN1909


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of A Uncharacterized Protein LIN1909 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn300

b:19.7
occ:1.00
O F:HOH255 2.1 12.9 1.0
ND1 F:HIS143 2.2 19.2 1.0
NE2 F:HIS154 2.3 24.5 1.0
OE2 F:GLU201 2.3 22.7 1.0
OG F:SER176 2.4 20.2 1.0
NE2 F:HIS178 2.5 14.8 1.0
CE1 F:HIS143 3.0 17.3 1.0
CD F:GLU201 3.1 22.3 1.0
CE1 F:HIS154 3.2 24.3 1.0
CD2 F:HIS154 3.2 24.4 1.0
CB F:SER176 3.3 19.8 1.0
OE1 F:GLU201 3.3 19.5 1.0
CG F:HIS143 3.4 17.1 1.0
CD2 F:HIS178 3.4 15.9 1.0
CE1 F:HIS178 3.5 14.1 1.0
CB F:HIS143 3.8 19.4 1.0
O F:HOH262 4.0 20.7 1.0
CA F:HIS143 4.2 20.9 1.0
NE2 F:HIS143 4.2 16.0 1.0
ND1 F:HIS154 4.3 24.5 1.0
CA F:SER176 4.3 19.9 1.0
CG F:HIS154 4.3 22.9 1.0
CD2 F:HIS143 4.4 17.4 1.0
CG F:GLN216 4.4 16.8 1.0
CG F:GLU201 4.5 21.7 1.0
CG F:HIS178 4.6 15.1 1.0
ND1 F:HIS178 4.6 13.6 1.0
O F:HIS143 4.6 22.5 1.0
O F:ASN175 4.7 23.4 1.0
CG2 F:THR195 4.7 23.1 1.0
C F:HIS143 4.9 21.9 1.0
O F:GLN142 4.9 23.0 1.0

Manganese binding site 7 out of 8 in 3fij

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Manganese binding site 7 out of 8 in the Crystal Structure of A Uncharacterized Protein LIN1909


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of A Uncharacterized Protein LIN1909 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn300

b:18.6
occ:1.00
ND1 G:HIS143 2.1 25.8 1.0
NE2 G:HIS154 2.3 28.3 1.0
O G:HOH374 2.3 23.9 1.0
NE2 G:HIS178 2.3 12.6 1.0
OG G:SER176 2.4 28.4 1.0
OE2 G:GLU201 2.5 27.7 1.0
CE1 G:HIS143 2.9 26.5 1.0
CD G:GLU201 3.2 28.1 1.0
CE1 G:HIS178 3.2 13.7 1.0
CE1 G:HIS154 3.2 29.1 1.0
OE1 G:GLU201 3.3 27.8 1.0
CG G:HIS143 3.3 25.1 1.0
CD2 G:HIS154 3.3 28.4 1.0
CD2 G:HIS178 3.4 12.7 1.0
CB G:SER176 3.5 26.0 1.0
CB G:HIS143 3.8 23.7 1.0
NE2 G:HIS143 4.1 25.8 1.0
CA G:SER176 4.1 26.0 1.0
O G:HOH264 4.2 22.3 1.0
CA G:HIS143 4.2 25.7 1.0
CG G:GLN216 4.3 23.4 1.0
CD2 G:HIS143 4.3 25.9 1.0
ND1 G:HIS178 4.4 12.2 1.0
ND1 G:HIS154 4.4 28.1 1.0
O G:HIS143 4.5 27.5 1.0
CG G:HIS154 4.5 28.8 1.0
CG G:HIS178 4.5 12.3 1.0
CG G:GLU201 4.6 26.6 1.0
O G:ASN175 4.6 28.8 1.0
C G:HIS143 4.8 25.9 1.0
CG2 G:THR195 4.9 26.6 1.0

Manganese binding site 8 out of 8 in 3fij

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Manganese binding site 8 out of 8 in the Crystal Structure of A Uncharacterized Protein LIN1909


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of A Uncharacterized Protein LIN1909 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn300

b:17.3
occ:1.00
ND1 H:HIS143 1.9 19.6 1.0
O H:HOH620 2.1 18.5 1.0
NE2 H:HIS178 2.2 10.9 1.0
NE2 H:HIS154 2.2 13.8 1.0
OG H:SER176 2.4 18.5 1.0
OE2 H:GLU201 2.5 20.1 1.0
CE1 H:HIS143 2.6 17.3 1.0
CE1 H:HIS178 3.1 11.8 1.0
CG H:HIS143 3.1 19.2 1.0
CB H:SER176 3.2 16.9 1.0
CD2 H:HIS178 3.2 12.3 1.0
CE1 H:HIS154 3.2 13.9 1.0
CD2 H:HIS154 3.2 16.5 1.0
CD H:GLU201 3.3 21.1 1.0
OE1 H:GLU201 3.5 18.7 1.0
CB H:HIS143 3.7 19.3 1.0
NE2 H:HIS143 3.8 19.5 1.0
CD2 H:HIS143 4.1 18.6 1.0
O H:HOH261 4.1 12.7 1.0
CA H:SER176 4.1 17.6 1.0
CA H:HIS143 4.2 20.6 1.0
ND1 H:HIS178 4.2 8.7 1.0
CG H:HIS178 4.3 11.2 1.0
ND1 H:HIS154 4.3 15.9 1.0
CG H:HIS154 4.4 15.9 1.0
CG H:GLN216 4.4 19.8 1.0
O H:HIS143 4.4 22.8 1.0
O H:ASN175 4.5 19.8 1.0
CG H:GLU201 4.6 21.2 1.0
C H:HIS143 4.8 21.6 1.0

Reference:

R.Sugadev, S.K.Burley, S.Swaminathan. Crystal Structure of A Uncharacterized Protein LIN1909 To Be Published.
Page generated: Sat Oct 5 16:17:51 2024

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