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Manganese in PDB 1gq7: Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus

Enzymatic activity of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus

All present enzymatic activity of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus:
3.5.3.11;

Protein crystallography data

The structure of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus, PDB code: 1gq7 was solved by J.M.Elkins, I.J.Clifton, H.Hernandez, C.V.Robinson, C.J.Schofield, K.S.Hewitson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.59 / 2.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 94.922, 81.348, 120.389, 90.00, 99.55, 90.00
R / Rfree (%) 22.2 / 23.6

Manganese Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Manganese atom in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus (pdb code 1gq7). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus, PDB code: 1gq7:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 12 in 1gq7

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Manganese binding site 1 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn350

b:29.1
occ:1.00
 OD2 A:ASP148 2.1 34.9 1.0
OD2 A:ASP144 2.2 25.0 1.0
OD2 A:ASP235 2.3 22.0 1.0
ND1 A:HIS121 2.3 24.8 1.0
CG A:ASP148 3.0 33.8 1.0
CG A:HIS121 3.1 24.4 1.0
CG A:ASP144 3.2 23.7 1.0
MN A:MN351 3.2 34.4 1.0
OD1 A:ASP148 3.3 32.3 1.0
CB A:HIS121 3.3 23.2 1.0
CG A:ASP235 3.3 21.2 1.0
CE1 A:HIS121 3.3 24.7 1.0
OD1 A:ASP144 3.5 23.9 1.0
CB A:ASP235 3.7 19.8 1.0
O A:HIS160 4.3 36.1 1.0
CD2 A:HIS121 4.3 23.9 1.0
CB A:ASP148 4.4 33.8 1.0
NE2 A:HIS121 4.4 24.4 1.0
OD1 A:ASP235 4.4 23.4 1.0
CB A:ASP144 4.5 24.1 1.0
NE2 A:HIS142 4.5 27.4 1.0
CG A:GLU279 4.6 18.7 1.0
OE2 A:GLU279 4.7 19.5 1.0
CA A:HIS121 4.8 24.8 1.0
O A:HIS146 4.8 29.4 1.0
OD2 A:ASP237 4.9 21.8 1.0
ND1 A:HIS146 4.9 31.2 1.0
CA A:ASP235 5.0 20.3 1.0

Manganese binding site 2 out of 12 in 1gq7

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Manganese binding site 2 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn351

b:34.4
occ:1.00
 OD2 A:ASP237 2.2 21.8 1.0
ND1 A:HIS146 2.2 31.2 1.0
OD1 A:ASP144 2.3 23.9 1.0
OD2 A:ASP235 2.4 22.0 1.0
OD1 A:ASP237 2.7 22.2 1.0
CG A:ASP237 2.8 22.4 1.0
CE1 A:HIS146 2.9 30.8 1.0
CG A:ASP235 3.2 21.2 1.0
MN A:MN350 3.2 29.1 1.0
CG A:ASP144 3.2 23.7 1.0
CG A:HIS146 3.4 30.9 1.0
OD2 A:ASP144 3.5 25.0 1.0
OD1 A:ASP235 3.7 23.4 1.0
CB A:HIS146 3.9 29.5 1.0
N A:HIS146 4.0 27.8 1.0
CB A:ASP235 4.1 19.8 1.0
NE2 A:HIS146 4.2 31.7 1.0
OG1 A:THR249 4.2 27.4 1.0
N A:ALA145 4.2 26.0 1.0
CB A:ASP237 4.3 20.1 1.0
CD2 A:HIS146 4.4 31.1 1.0
CA A:HIS146 4.6 29.1 1.0
OD1 A:ASP148 4.6 32.3 1.0
O A:HOH2048 4.6 25.4 1.0
CB A:ASP144 4.6 24.1 1.0
CB A:ALA145 4.7 24.9 1.0
C A:ALA145 4.8 28.3 1.0
CA A:ALA145 4.8 27.1 1.0
OD2 A:ASP148 4.9 34.9 1.0
O A:HIS146 4.9 29.4 1.0
CA A:ASP144 5.0 24.8 1.0

Manganese binding site 3 out of 12 in 1gq7

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Manganese binding site 3 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn350

b:37.3
occ:1.00
 OD2 B:ASP148 2.1 36.2 1.0
OD2 B:ASP144 2.2 28.8 1.0
ND1 B:HIS121 2.3 27.4 1.0
OD2 B:ASP235 2.3 25.5 1.0
CG B:ASP148 3.0 35.4 1.0
CG B:HIS121 3.1 26.8 1.0
CG B:ASP144 3.2 26.9 1.0
MN B:MN351 3.2 32.4 1.0
OD1 B:ASP148 3.2 36.7 1.0
CB B:HIS121 3.3 25.4 1.0
CE1 B:HIS121 3.3 27.4 1.0
CG B:ASP235 3.4 24.2 1.0
OD1 B:ASP144 3.5 27.1 1.0
CB B:ASP235 3.8 23.0 1.0
O B:HIS160 4.3 36.9 1.0
CD2 B:HIS121 4.3 25.7 1.0
CB B:ASP148 4.4 34.5 1.0
NE2 B:HIS121 4.4 26.6 1.0
OD1 B:ASP235 4.5 27.1 1.0
CB B:ASP144 4.5 26.6 1.0
NE2 B:HIS142 4.5 32.1 1.0
CG B:GLU279 4.6 21.2 1.0
OE2 B:GLU279 4.7 24.6 1.0
CA B:HIS121 4.8 26.4 1.0
O B:HIS146 4.9 30.1 1.0
OD2 B:ASP237 4.9 24.8 1.0
ND1 B:HIS146 4.9 28.7 1.0

Manganese binding site 4 out of 12 in 1gq7

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Manganese binding site 4 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn351

b:32.4
occ:1.00
 OD2 B:ASP237 2.2 24.8 1.0
OD1 B:ASP144 2.2 27.1 1.0
ND1 B:HIS146 2.3 28.7 1.0
OD2 B:ASP235 2.3 25.5 1.0
OD1 B:ASP237 2.7 26.4 1.0
CG B:ASP237 2.8 25.5 1.0
CE1 B:HIS146 3.0 30.9 1.0
CG B:ASP235 3.1 24.2 1.0
CG B:ASP144 3.2 26.9 1.0
MN B:MN350 3.2 37.3 1.0
OD2 B:ASP144 3.4 28.8 1.0
CG B:HIS146 3.5 30.9 1.0
OD1 B:ASP235 3.6 27.1 1.0
CB B:HIS146 4.0 29.5 1.0
N B:HIS146 4.0 28.7 1.0
CB B:ASP235 4.1 23.0 1.0
N B:ALA145 4.1 28.4 1.0
NE2 B:HIS146 4.2 32.1 1.0
OG1 B:THR249 4.2 28.4 1.0
CB B:ASP237 4.3 24.2 1.0
O B:HOH2035 4.4 24.3 1.0
CD2 B:HIS146 4.5 31.2 1.0
CB B:ASP144 4.5 26.6 1.0
CA B:HIS146 4.6 29.2 1.0
OD1 B:ASP148 4.6 36.7 1.0
CB B:ALA145 4.7 28.6 1.0
C B:ALA145 4.8 29.2 1.0
CA B:ALA145 4.8 28.5 1.0
OD2 B:ASP148 4.9 36.2 1.0
O B:HIS146 4.9 30.1 1.0
CA B:ASP144 4.9 26.9 1.0
C B:ASP144 5.0 28.6 1.0

Manganese binding site 5 out of 12 in 1gq7

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Manganese binding site 5 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn350

b:34.2
occ:1.00
 OD2 C:ASP148 2.2 37.1 1.0
OD2 C:ASP144 2.2 27.7 1.0
OD2 C:ASP235 2.3 28.2 1.0
ND1 C:HIS121 2.3 22.3 1.0
CG C:ASP148 3.0 36.9 1.0
MN C:MN351 3.1 35.8 1.0
CG C:HIS121 3.2 24.7 1.0
CG C:ASP144 3.2 28.4 1.0
OD1 C:ASP148 3.2 38.8 1.0
CB C:HIS121 3.3 23.6 1.0
CG C:ASP235 3.4 27.7 1.0
CE1 C:HIS121 3.4 25.5 1.0
OD1 C:ASP144 3.5 27.9 1.0
CB C:ASP235 3.8 25.4 1.0
O C:HIS160 4.3 37.5 1.0
CD2 C:HIS121 4.4 24.2 1.0
CB C:ASP148 4.4 36.2 1.0
NE2 C:HIS121 4.5 22.9 1.0
OD1 C:ASP235 4.5 29.9 1.0
CG C:GLU279 4.5 23.4 1.0
CB C:ASP144 4.6 27.4 1.0
NE2 C:HIS142 4.6 32.5 1.0
OE2 C:GLU279 4.7 26.0 1.0
CA C:HIS121 4.8 26.2 1.0
O C:HIS146 4.9 31.8 1.0
ND1 C:HIS146 4.9 30.2 1.0
OD2 C:ASP237 4.9 30.2 1.0

Manganese binding site 6 out of 12 in 1gq7

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Manganese binding site 6 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn351

b:35.8
occ:1.00
 ND1 C:HIS146 2.2 30.2 1.0
OD1 C:ASP144 2.2 27.9 1.0
OD2 C:ASP237 2.3 30.2 1.0
OD2 C:ASP235 2.4 28.2 1.0
OD1 C:ASP237 2.8 30.3 1.0
CG C:ASP237 2.8 29.2 1.0
CE1 C:HIS146 2.9 32.1 1.0
CG C:ASP235 3.1 27.7 1.0
MN C:MN350 3.1 34.2 1.0
CG C:ASP144 3.2 28.4 1.0
CG C:HIS146 3.4 31.3 1.0
OD2 C:ASP144 3.4 27.7 1.0
OD1 C:ASP235 3.7 29.9 1.0
CB C:HIS146 3.9 30.9 1.0
N C:HIS146 3.9 30.1 1.0
CB C:ASP235 4.1 25.4 1.0
N C:ALA145 4.2 29.5 1.0
NE2 C:HIS146 4.2 32.2 1.0
OG1 C:THR249 4.2 28.5 1.0
CB C:ASP237 4.3 26.0 1.0
CD2 C:HIS146 4.4 30.3 1.0
O C:HOH2019 4.5 25.2 1.0
CA C:HIS146 4.5 30.8 1.0
CB C:ASP144 4.5 27.4 1.0
OD1 C:ASP148 4.6 38.8 1.0
CB C:ALA145 4.7 28.8 1.0
C C:ALA145 4.8 30.0 1.0
CA C:ALA145 4.8 29.6 1.0
O C:HIS146 4.8 31.8 1.0
OD2 C:ASP148 4.9 37.1 1.0
CA C:ASP144 4.9 28.7 1.0

Manganese binding site 7 out of 12 in 1gq7

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Manganese binding site 7 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn350

b:31.4
occ:1.00
 OD2 D:ASP148 2.2 31.9 1.0
OD2 D:ASP144 2.2 23.8 1.0
ND1 D:HIS121 2.3 23.6 1.0
OD2 D:ASP235 2.3 19.1 1.0
CG D:ASP148 3.0 33.2 1.0
CG D:HIS121 3.1 23.2 1.0
CG D:ASP144 3.2 22.8 1.0
MN D:MN351 3.2 28.7 1.0
OD1 D:ASP148 3.3 35.1 1.0
CB D:HIS121 3.3 22.9 1.0
CG D:ASP235 3.3 19.0 1.0
CE1 D:HIS121 3.3 23.9 1.0
OD1 D:ASP144 3.5 23.4 1.0
CB D:ASP235 3.7 19.6 1.0
CD2 D:HIS121 4.3 23.2 1.0
O D:HIS160 4.4 36.4 1.0
NE2 D:HIS121 4.4 24.4 1.0
CB D:ASP148 4.4 33.4 1.0
OD1 D:ASP235 4.4 21.7 1.0
CB D:ASP144 4.5 22.8 1.0
NE2 D:HIS142 4.5 26.4 1.0
CG D:GLU279 4.6 20.1 1.0
OE2 D:GLU279 4.7 20.7 1.0
CA D:HIS121 4.8 24.4 1.0
O D:HIS146 4.8 27.0 1.0
OD2 D:ASP237 4.9 21.9 1.0
ND1 D:HIS146 4.9 30.4 1.0
CA D:ASP235 5.0 19.5 1.0

Manganese binding site 8 out of 12 in 1gq7

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Manganese binding site 8 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn351

b:28.7
occ:1.00
 OD2 D:ASP237 2.2 21.9 1.0
OD1 D:ASP144 2.3 23.4 1.0
ND1 D:HIS146 2.3 30.4 1.0
OD2 D:ASP235 2.4 19.1 1.0
OD1 D:ASP237 2.7 24.2 1.0
CG D:ASP237 2.8 23.1 1.0
CE1 D:HIS146 3.0 29.4 1.0
CG D:ASP235 3.1 19.0 1.0
CG D:ASP144 3.2 22.8 1.0
MN D:MN350 3.2 31.4 1.0
OD2 D:ASP144 3.4 23.8 1.0
CG D:HIS146 3.4 29.3 1.0
OD1 D:ASP235 3.6 21.7 1.0
CB D:HIS146 4.0 27.1 1.0
N D:HIS146 4.0 26.1 1.0
CB D:ASP235 4.1 19.6 1.0
N D:ALA145 4.1 24.8 1.0
NE2 D:HIS146 4.2 31.3 1.0
OG1 D:THR249 4.2 25.9 1.0
CB D:ASP237 4.3 21.4 1.0
CD2 D:HIS146 4.4 29.9 1.0
CA D:HIS146 4.5 27.7 1.0
CB D:ASP144 4.5 22.8 1.0
OD1 D:ASP148 4.6 35.1 1.0
O D:HOH2045 4.6 29.4 1.0
CB D:ALA145 4.7 24.6 1.0
C D:ALA145 4.8 26.3 1.0
CA D:ALA145 4.8 26.2 1.0
O D:HIS146 4.8 27.0 1.0
OD2 D:ASP148 4.8 31.9 1.0
CA D:ASP144 4.9 24.7 1.0
C D:ASP144 5.0 24.3 1.0

Manganese binding site 9 out of 12 in 1gq7

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Manganese binding site 9 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn350

b:23.2
occ:1.00
 OD2 E:ASP148 2.1 34.4 1.0
ND1 E:HIS121 2.2 20.4 1.0
OD2 E:ASP144 2.2 19.9 1.0
OD2 E:ASP235 2.3 17.4 1.0
CG E:ASP148 3.0 32.4 1.0
CG E:HIS121 3.1 21.3 1.0
CB E:HIS121 3.2 20.1 1.0
CG E:ASP144 3.2 22.1 1.0
MN E:MN351 3.2 24.8 1.0
OD1 E:ASP148 3.3 34.8 1.0
CE1 E:HIS121 3.3 22.8 1.0
CG E:ASP235 3.4 18.6 1.0
OD1 E:ASP144 3.5 22.2 1.0
CB E:ASP235 3.7 17.4 1.0
O E:HOH2076 3.7 37.9 1.0
CD2 E:HIS121 4.3 20.4 1.0
O E:HIS160 4.3 35.1 1.0
NE2 E:HIS121 4.3 21.0 1.0
CB E:ASP148 4.4 32.5 1.0
OD1 E:ASP235 4.5 23.1 1.0
NE2 E:HIS142 4.5 27.2 1.0
CG E:GLU279 4.6 18.5 1.0
CB E:ASP144 4.6 21.9 1.0
OE2 E:GLU279 4.7 23.0 1.0
CA E:HIS121 4.7 22.6 1.0
O E:HIS146 4.9 28.4 1.0
OD2 E:ASP237 5.0 17.6 1.0
CA E:ASP235 5.0 17.4 1.0

Manganese binding site 10 out of 12 in 1gq7

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Manganese binding site 10 out of 12 in the Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Proclavaminate Amidino Hydrolase From Streptomyces Clavuligerus within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn351

b:24.8
occ:1.00
 OD2 E:ASP237 2.2 17.6 1.0
OD1 E:ASP144 2.2 22.2 1.0
ND1 E:HIS146 2.3 27.9 1.0
OD2 E:ASP235 2.4 17.4 1.0
OD1 E:ASP237 2.7 19.2 1.0
CG E:ASP237 2.8 18.8 1.0
O E:HOH2076 2.9 37.9 1.0
CE1 E:HIS146 3.0 28.8 1.0
CG E:ASP235 3.1 18.6 1.0
CG E:ASP144 3.2 22.1 1.0
MN E:MN350 3.2 23.2 1.0
OD2 E:ASP144 3.4 19.9 1.0
CG E:HIS146 3.4 29.3 1.0
OD1 E:ASP235 3.6 23.1 1.0
CB E:HIS146 4.0 27.9 1.0
N E:HIS146 4.0 25.7 1.0
CB E:ASP235 4.1 17.4 1.0
N E:ALA145 4.2 23.0 1.0
NE2 E:HIS146 4.2 29.6 1.0
OG1 E:THR249 4.2 23.6 1.0
CB E:ASP237 4.3 19.6 1.0
CD2 E:HIS146 4.4 29.5 1.0
CB E:ASP144 4.5 21.9 1.0
CA E:HIS146 4.6 28.2 1.0
OD1 E:ASP148 4.6 34.8 1.0
O E:HOH2058 4.6 18.9 1.0
CB E:ALA145 4.7 23.9 1.0
C E:ALA145 4.8 25.7 1.0
CA E:ALA145 4.8 25.0 1.0
O E:HIS146 4.8 28.4 1.0
OD2 E:ASP148 4.9 34.4 1.0
CA E:ASP144 4.9 21.3 1.0

Reference:

J.M.Elkins, I.J.Clifton, H.Hernandez, L.X.Doan, C.V.Robinson, C.J.Schofield, K.S.Hewitson. Oligomeric Structure of Proclavaminic Acid Amidino Hydrolase: Evolution of A Hydrolytic Enzyme in Clavulanic Acid Biosynthesis. Biochem. J. V. 366 423 2002.
ISSN: ISSN 0264-6021
PubMed: 12020346
DOI: 10.1042/BJ20020125
Page generated: Sat Oct 5 10:45:35 2024

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