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Manganese in PDB 7lba: E. Coli Agmatinase

Enzymatic activity of E. Coli Agmatinase

All present enzymatic activity of E. Coli Agmatinase:
3.5.3.11;

Protein crystallography data

The structure of E. Coli Agmatinase, PDB code: 7lba was solved by I.Chitrakar, S.F.Ahmed, A.T.Torelli, J.B.French, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.02 / 2.20
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 139.809, 139.809, 222.987, 90, 90, 120
R / Rfree (%) 18 / 21.3

Manganese Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Manganese atom in the E. Coli Agmatinase (pdb code 7lba). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 27 binding sites of Manganese where determined in the E. Coli Agmatinase, PDB code: 7lba:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 27 in 7lba

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Manganese binding site 1 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:32.6
occ:1.00
O A:HOH596 2.0 18.3 1.0
OD1 A:ASP149 2.2 17.2 1.0
OD2 A:ASP232 2.3 15.7 1.0
ND1 A:HIS151 2.5 17.7 1.0
OD2 A:ASP230 2.5 15.9 1.0
OD1 A:ASP232 2.7 15.5 1.0
CG A:ASP232 2.8 15.6 1.0
O A:HOH580 3.1 24.8 1.0
CG A:ASP149 3.2 17.4 1.0
CE1 A:HIS151 3.3 17.6 1.0
CG A:ASP230 3.3 16.0 1.0
MN A:MN402 3.3 38.7 1.0
CG A:HIS151 3.4 17.8 1.0
OD2 A:ASP149 3.5 17.4 1.0
CB A:HIS151 3.7 17.8 1.0
OD1 A:ASP230 3.8 16.1 1.0
N A:HIS151 4.0 17.8 1.0
OG1 A:THR244 4.0 14.8 1.0
O A:HOH579 4.0 11.5 1.0
N A:ALA150 4.2 17.5 1.0
NE2 A:HIS151 4.3 17.7 1.0
CB A:ASP232 4.3 15.5 1.0
CB A:ASP230 4.3 15.9 1.0
CD2 A:HIS151 4.4 17.7 1.0
CA A:HIS151 4.5 17.8 1.0
OD2 A:ASP153 4.6 19.6 1.0
CB A:ASP149 4.6 17.4 1.0
O A:HOH502 4.7 13.3 1.0
C A:ALA150 4.7 17.7 1.0
CB A:ALA150 4.7 17.6 1.0
CA A:ALA150 4.8 17.6 1.0
O A:HIS151 4.9 18.0 1.0
OD1 A:ASP153 4.9 19.8 1.0
CA A:ASP149 4.9 17.4 1.0

Manganese binding site 2 out of 27 in 7lba

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Manganese binding site 2 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:38.7
occ:1.00
OD2 A:ASP149 2.1 17.4 1.0
OD2 A:ASP153 2.2 19.6 1.0
OD2 A:ASP230 2.4 15.9 1.0
ND1 A:HIS126 2.4 14.9 1.0
O A:HOH579 2.6 11.5 1.0
O A:HOH596 2.8 18.3 1.0
CG A:ASP149 3.1 17.4 1.0
CE1 A:HIS126 3.3 15.0 1.0
CG A:HIS126 3.3 15.0 1.0
MN A:MN401 3.3 32.6 1.0
CG A:ASP153 3.4 19.7 1.0
CG A:ASP230 3.4 16.0 1.0
OD1 A:ASP149 3.4 17.2 1.0
CB A:HIS126 3.6 14.9 1.0
CB A:ASP230 3.8 15.9 1.0
OD1 A:ASP153 3.9 19.8 1.0
O A:HOH580 4.2 24.8 1.0
O A:HIS163 4.4 19.6 1.0
NE2 A:HIS147 4.4 18.0 1.0
CB A:ASP149 4.4 17.4 1.0
NE2 A:HIS126 4.5 15.0 1.0
CD2 A:HIS126 4.5 15.0 1.0
OD1 A:ASP230 4.5 16.1 1.0
CB A:ASP153 4.6 19.7 1.0
CE A:MET166 4.6 19.8 1.0
O A:HIS151 4.6 18.0 1.0
OE2 A:GLU274 4.7 15.0 1.0
CB A:HIS151 4.9 17.8 1.0
CG A:GLU274 4.9 14.8 1.0

Manganese binding site 3 out of 27 in 7lba

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Manganese binding site 3 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:29.8
occ:1.00
O B:HOH568 1.9 25.5 1.0
OD1 B:ASP149 2.2 18.2 1.0
OD2 B:ASP230 2.2 15.4 1.0
OD2 B:ASP232 2.4 14.2 1.0
ND1 B:HIS151 2.5 18.1 1.0
OD1 B:ASP232 2.7 14.2 1.0
CG B:ASP232 2.9 14.2 1.0
CG B:ASP149 3.1 18.2 1.0
CG B:ASP230 3.1 15.3 1.0
CE1 B:HIS151 3.3 18.1 1.0
OD2 B:ASP149 3.3 18.3 1.0
MN B:MN402 3.3 52.1 1.0
CG B:HIS151 3.4 18.3 1.0
CB B:HIS151 3.7 18.4 1.0
OD1 B:ASP230 3.8 15.4 1.0
OG1 B:THR244 4.0 13.1 1.0
N B:HIS151 4.1 18.5 1.0
CB B:ASP230 4.1 15.2 1.0
O B:HOH517 4.2 18.7 1.0
N B:ALA150 4.3 18.5 1.0
CB B:ASP232 4.3 14.2 1.0
NE2 B:HIS151 4.4 18.1 1.0
CD2 B:HIS151 4.4 18.2 1.0
CA B:HIS151 4.5 18.6 1.0
CB B:ASP149 4.5 18.2 1.0
O B:HOH501 4.5 14.5 1.0
OD2 B:ASP153 4.7 21.8 1.0
OD1 B:ASP153 4.8 22.1 1.0
CA B:ASP149 4.9 18.3 1.0
C B:ALA150 4.9 18.4 1.0
O B:HIS151 4.9 18.8 1.0
CB B:ALA150 4.9 18.3 1.0
CA B:ALA150 5.0 18.4 1.0

Manganese binding site 4 out of 27 in 7lba

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Manganese binding site 4 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn402

b:52.1
occ:1.00
OD2 B:ASP153 2.1 21.8 1.0
OD2 B:ASP149 2.2 18.3 1.0
ND1 B:HIS126 2.4 16.4 1.0
O B:HOH568 2.6 25.5 1.0
O B:HOH517 2.6 18.7 1.0
OD2 B:ASP230 2.7 15.4 1.0
CG B:ASP153 3.1 21.9 1.0
CG B:ASP149 3.2 18.2 1.0
CE1 B:HIS126 3.3 16.4 1.0
CG B:HIS126 3.3 16.4 1.0
MN B:MN401 3.3 29.8 1.0
OD1 B:ASP153 3.5 22.1 1.0
CB B:HIS126 3.6 16.4 1.0
OD1 B:ASP149 3.6 18.2 1.0
CG B:ASP230 3.7 15.3 1.0
CB B:ASP230 3.9 15.2 1.0
O B:HIS163 4.1 20.1 1.0
NE2 B:HIS147 4.3 18.4 1.0
NE2 B:HIS126 4.4 16.5 1.0
CD2 B:HIS126 4.4 16.4 1.0
CB B:ASP153 4.4 21.8 1.0
CE B:MET166 4.5 20.5 1.0
CB B:ASP149 4.5 18.2 1.0
O B:HIS151 4.6 18.8 1.0
CB B:HIS151 4.7 18.4 1.0
OD1 B:ASP230 4.9 15.4 1.0
CE1 B:HIS147 5.0 18.3 1.0

Manganese binding site 5 out of 27 in 7lba

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Manganese binding site 5 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn401

b:35.1
occ:1.00
OD1 C:ASP149 2.1 15.8 1.0
OD2 C:ASP230 2.2 15.2 1.0
OD2 C:ASP232 2.3 14.2 1.0
ND1 C:HIS151 2.4 17.1 1.0
OD1 C:ASP232 2.8 14.3 1.0
CG C:ASP232 2.9 14.3 1.0
MN C:MN402 2.9 62.8 1.0
CG C:ASP149 3.1 15.9 1.0
CG C:ASP230 3.1 15.3 1.0
CE1 C:HIS151 3.2 17.1 1.0
O C:HOH594 3.2 37.0 1.0
CG C:HIS151 3.4 17.2 1.0
OD2 C:ASP149 3.4 15.8 1.0
CB C:HIS151 3.8 17.2 1.0
OD1 C:ASP230 3.8 15.3 1.0
N C:HIS151 3.9 17.1 1.0
CB C:ASP230 4.1 15.3 1.0
N C:ALA150 4.2 16.4 1.0
OG1 C:THR244 4.2 14.6 1.0
NE2 C:HIS151 4.3 17.1 1.0
CB C:ASP232 4.4 14.3 1.0
CD2 C:HIS151 4.4 17.1 1.0
CB C:ASP149 4.4 16.0 1.0
CA C:HIS151 4.4 17.3 1.0
OD2 C:ASP153 4.6 20.1 1.0
O C:HOH503 4.6 12.0 1.0
CB C:ALA150 4.7 16.6 1.0
C C:ALA150 4.7 16.8 1.0
CA C:ALA150 4.8 16.6 1.0
CA C:ASP149 4.8 16.1 1.0
O C:HIS151 4.8 17.6 1.0
OD1 C:ASP153 4.9 20.4 1.0
C C:ASP149 5.0 16.2 1.0

Manganese binding site 6 out of 27 in 7lba

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Manganese binding site 6 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn402

b:62.8
occ:1.00
OD2 C:ASP230 2.3 15.2 1.0
OD2 C:ASP149 2.4 15.8 1.0
OD2 C:ASP153 2.5 20.1 1.0
ND1 C:HIS126 2.8 18.2 1.0
MN C:MN401 2.9 35.1 1.0
O C:HOH594 3.0 37.0 1.0
CG C:ASP149 3.3 15.9 1.0
CG C:ASP230 3.4 15.3 1.0
OD1 C:ASP149 3.4 15.8 1.0
CG C:ASP153 3.5 20.3 1.0
CG C:HIS126 3.6 18.3 1.0
CB C:HIS126 3.6 18.3 1.0
OD1 C:ASP153 3.8 20.4 1.0
CE1 C:HIS126 3.8 18.2 1.0
CB C:ASP230 3.8 15.3 1.0
O C:HIS163 4.3 21.1 1.0
OE2 C:GLU274 4.4 14.7 1.0
OD1 C:ASP230 4.4 15.3 1.0
CG C:GLU274 4.6 14.6 1.0
CB C:ASP149 4.7 16.0 1.0
CD2 C:HIS126 4.8 18.3 1.0
ND1 C:HIS151 4.8 17.1 1.0
OD2 C:ASP232 4.8 14.2 1.0
CB C:ASP153 4.8 20.3 1.0
CB C:HIS151 4.8 17.2 1.0
NE2 C:HIS147 4.9 16.2 1.0
NE2 C:HIS126 4.9 18.3 1.0
CD C:GLU274 4.9 14.7 1.0
CE C:MET166 4.9 22.6 1.0
O C:HIS151 5.0 17.6 1.0

Manganese binding site 7 out of 27 in 7lba

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Manganese binding site 7 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn401

b:26.9
occ:1.00
OD1 D:ASP149 2.1 17.2 1.0
OD2 D:ASP230 2.2 16.3 1.0
OD2 D:ASP232 2.4 14.8 1.0
ND1 D:HIS151 2.5 17.5 1.0
OD1 D:ASP232 2.5 14.9 1.0
CG D:ASP232 2.8 14.9 1.0
CG D:ASP149 3.0 17.1 1.0
CG D:ASP230 3.1 16.3 1.0
MN D:MN402 3.1 86.9 1.0
CE1 D:HIS151 3.3 17.5 1.0
OD2 D:ASP149 3.4 17.3 1.0
CG D:HIS151 3.5 17.6 1.0
OD1 D:ASP230 3.7 16.3 1.0
CB D:HIS151 3.8 17.6 1.0
O D:HOH576 4.0 7.2 1.0
CB D:ASP230 4.0 16.2 1.0
N D:HIS151 4.0 17.5 1.0
N D:ALA150 4.1 17.1 1.0
OG1 D:THR244 4.2 13.4 1.0
CB D:ASP232 4.3 14.9 1.0
CB D:ASP149 4.4 17.1 1.0
NE2 D:HIS151 4.4 17.5 1.0
O D:HOH523 4.5 16.0 1.0
CD2 D:HIS151 4.5 17.5 1.0
CA D:HIS151 4.5 17.6 1.0
OD2 D:ASP153 4.7 20.6 1.0
CA D:ASP149 4.7 17.2 1.0
CB D:ALA150 4.7 17.2 1.0
C D:ALA150 4.7 17.3 1.0
CA D:ALA150 4.7 17.2 1.0
C D:ASP149 4.9 17.2 1.0
O D:HOH503 4.9 10.7 1.0
O D:HIS151 4.9 17.7 1.0

Manganese binding site 8 out of 27 in 7lba

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Manganese binding site 8 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn402

b:86.9
occ:1.00
O D:HOH523 1.8 16.0 1.0
OD2 D:ASP153 2.4 20.6 1.0
OD2 D:ASP230 2.7 16.3 1.0
MN D:MN401 3.1 26.9 1.0
CG D:ASP153 3.1 20.5 1.0
OD2 D:ASP149 3.2 17.3 1.0
OD1 D:ASP153 3.2 20.4 1.0
ND1 D:HIS126 3.5 17.7 1.0
O D:HIS163 3.6 22.0 1.0
CB D:HIS126 3.9 17.8 1.0
OD1 D:ASP149 3.9 17.2 1.0
O D:HOH576 3.9 7.2 1.0
CG D:ASP149 3.9 17.1 1.0
CG D:ASP230 3.9 16.3 1.0
OE2 D:GLU274 4.1 16.4 1.0
CG D:HIS126 4.1 17.7 1.0
CB D:ASP153 4.6 20.4 1.0
CB D:HIS151 4.6 17.6 1.0
CB D:ASP230 4.6 16.2 1.0
ND1 D:HIS163 4.6 21.6 1.0
CE1 D:HIS126 4.6 17.7 1.0
O D:HOH581 4.7 16.4 1.0
ND1 D:HIS151 4.7 17.5 1.0
CD D:GLU274 4.8 16.3 1.0
C D:HIS163 4.8 22.1 1.0
CG D:GLU274 4.8 16.1 1.0
CE D:MET166 4.9 21.4 1.0
OD1 D:ASP230 4.9 16.3 1.0
CG D:HIS151 4.9 17.6 1.0
CE1 D:HIS163 4.9 21.6 1.0
OD2 D:ASP232 5.0 14.8 1.0

Manganese binding site 9 out of 27 in 7lba

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Manganese binding site 9 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn401

b:33.0
occ:1.00
O E:HOH590 2.0 16.8 1.0
OD1 E:ASP149 2.2 16.0 1.0
OD2 E:ASP230 2.4 16.5 1.0
OD2 E:ASP232 2.4 15.5 1.0
OD1 E:ASP232 2.6 15.5 1.0
ND1 E:HIS151 2.7 16.6 1.0
CG E:ASP232 2.9 15.4 1.0
CG E:ASP149 3.2 16.0 1.0
MN E:MN402 3.2 39.8 1.0
CG E:ASP230 3.2 16.5 1.0
CE1 E:HIS151 3.4 16.6 1.0
OD2 E:ASP149 3.4 16.0 1.0
CG E:HIS151 3.7 16.7 1.0
OD1 E:ASP230 3.7 16.6 1.0
CB E:HIS151 4.0 16.7 1.0
O E:HOH563 4.0 19.3 1.0
OG1 E:THR244 4.0 13.5 1.0
N E:HIS151 4.1 16.8 1.0
CB E:ASP230 4.2 16.3 1.0
N E:ALA150 4.2 16.4 1.0
CB E:ASP232 4.4 15.2 1.0
CB E:ASP149 4.5 16.1 1.0
NE2 E:HIS151 4.5 16.6 1.0
CA E:HIS151 4.6 16.8 1.0
CD2 E:HIS151 4.7 16.6 1.0
OD2 E:ASP153 4.7 18.8 1.0
CB E:ALA150 4.7 16.5 1.0
CA E:ALA150 4.8 16.5 1.0
O E:HIS151 4.9 16.9 1.0
CA E:ASP149 4.9 16.2 1.0
C E:ALA150 4.9 16.6 1.0
OD1 E:ASP153 4.9 19.0 1.0

Manganese binding site 10 out of 27 in 7lba

Go back to Manganese Binding Sites List in 7lba
Manganese binding site 10 out of 27 in the E. Coli Agmatinase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of E. Coli Agmatinase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn402

b:39.8
occ:1.00
OD2 E:ASP149 2.2 16.0 1.0
OD2 E:ASP230 2.3 16.5 1.0
ND1 E:HIS126 2.3 16.3 1.0
OD2 E:ASP153 2.3 18.8 1.0
O E:HOH563 2.6 19.3 1.0
O E:HOH590 2.6 16.8 1.0
CG E:ASP149 3.1 16.0 1.0
MN E:MN401 3.2 33.0 1.0
CE1 E:HIS126 3.3 16.4 1.0
CG E:HIS126 3.3 16.4 1.0
CG E:ASP230 3.3 16.5 1.0
OD1 E:ASP149 3.4 16.0 1.0
CG E:ASP153 3.4 18.9 1.0
CB E:HIS126 3.5 16.5 1.0
CB E:ASP230 3.8 16.3 1.0
OD1 E:ASP153 3.9 19.0 1.0
NE2 E:HIS126 4.4 16.4 1.0
CD2 E:HIS126 4.4 16.3 1.0
O E:HIS163 4.4 19.3 1.0
OD1 E:ASP230 4.5 16.6 1.0
NE2 E:HIS147 4.5 16.3 1.0
CE E:MET166 4.5 19.8 1.0
CB E:ASP149 4.5 16.1 1.0
CB E:ASP153 4.7 18.9 1.0
OE2 E:GLU274 4.7 17.1 1.0
O E:HIS151 4.8 16.9 1.0
CG E:GLU274 4.8 16.7 1.0
O E:HOH576 4.9 42.0 1.0

Reference:

I.Chitrakar, S.F.Ahmed, A.T.Torelli, J.B.French. Structure of the E. Coli Agmatinase, Speb Plos One 2021.
ISSN: ESSN 1932-6203
Page generated: Sun Oct 6 09:50:26 2024

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