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Manganese in PDB 8g4z: E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field)

Enzymatic activity of E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field)

All present enzymatic activity of E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field):
1.5.1.3;

Protein crystallography data

The structure of E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field), PDB code: 8g4z was solved by J.B.Greisman, K.M.Dalton, D.E.Brookner, M.A.Klureza, D.R.Hekstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.36 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 34.286, 45.53, 98.995, 90, 90, 90
R / Rfree (%) 14.7 / 19.5

Manganese Binding Sites:

The binding sites of Manganese atom in the E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field) (pdb code 8g4z). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field), PDB code: 8g4z:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in 8g4z

Go back to Manganese Binding Sites List in 8g4z
Manganese binding site 1 out of 5 in the E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn203

b:6.6
occ:0.86
 O A:ASP116 2.1 4.9 0.3
O A:ASP116 2.2 5.2 0.7
O A:HOH417 2.2 21.0 1.0
O A:HOH392 2.3 7.3 1.0
ND1 A:HIS149 2.3 11.3 1.0
HA A:ALA117 3.1 2.0 1.0
CE1 A:HIS149 3.2 9.8 1.0
HE1 A:HIS149 3.2 11.8 1.0
C A:ASP116 3.4 3.3 0.3
C A:ASP116 3.4 3.3 0.7
HB3 A:HIS149 3.4 8.5 1.0
CG A:HIS149 3.4 6.1 1.0
HA A:HIS149 3.7 6.6 1.0
CB A:HIS149 3.8 7.1 1.0
CA A:ALA117 3.9 1.7 1.0
OD2 A:ASP116 4.0 9.4 0.3
HB2 A:ALA117 4.0 6.3 1.0
HB3 A:ASP116 4.1 3.8 0.3
N A:ALA117 4.1 2.7 1.0
CG A:ASP116 4.2 7.4 0.3
HB3 A:ASP116 4.2 3.8 0.7
O A:HOH412 4.2 24.5 1.0
HB2 A:ASP116 4.2 3.8 0.7
CA A:HIS149 4.3 5.5 1.0
NE2 A:HIS149 4.3 16.6 1.0
CB A:ASP116 4.5 3.2 0.3
CB A:ALA117 4.5 5.2 1.0
H A:SER150 4.5 4.2 1.0
CD2 A:HIS149 4.5 6.1 1.0
CA A:ASP116 4.5 1.6 0.3
CB A:ASP116 4.5 3.1 0.7
O A:HOH405 4.5 17.4 0.7
CA A:ASP116 4.5 1.5 0.7
HB2 A:HIS149 4.7 8.5 1.0
HB1 A:ALA117 4.7 6.3 1.0
H A:GLU118 4.7 9.6 0.5
OD1 A:ASP116 4.8 11.4 0.3
O A:SER148 4.8 10.5 1.0
H A:GLU118 4.8 9.5 0.5
H A:ALA117 4.9 3.2 0.5
H A:ALA117 4.9 3.2 0.5

Manganese binding site 2 out of 5 in 8g4z

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Manganese binding site 2 out of 5 in the E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn204

b:41.4
occ:0.40
 HZ3 A:LYS106 2.9 23.6 0.3
OD1 A:ASP79 2.9 23.8 1.0
HZ1 A:LYS106 3.0 25.8 0.7
OD2 A:ASP79 3.0 32.1 1.0
HE3 A:LYS106 3.2 28.4 0.7
CG A:ASP79 3.3 19.2 1.0
HE2 A:LYS106 3.4 28.1 0.3
NZ A:LYS106 3.7 19.7 0.3
HE2 A:LYS106 3.7 28.4 0.7
NZ A:LYS106 3.7 21.4 0.7
CE A:LYS106 3.7 23.7 0.7
O A:HOH389 3.7 7.4 1.0
HE3 A:LYS106 3.8 28.1 0.3
CE A:LYS106 3.8 23.4 0.3
HG12 A:VAL78 4.0 5.8 1.0
HZ2 A:LYS106 4.0 23.6 0.3
HZ2 A:LYS106 4.0 25.8 0.7
HB A:VAL78 4.1 2.9 1.0
HZ1 A:LYS106 4.3 23.6 0.3
HZ3 A:LYS106 4.4 25.8 0.7
H A:ASP79 4.6 3.3 1.0
HG11 A:VAL78 4.6 5.8 1.0
CG1 A:VAL78 4.6 4.9 1.0
CB A:ASP79 4.7 6.9 1.0
N A:ASP79 4.9 2.7 1.0
CB A:VAL78 4.9 2.4 1.0
O A:HOH311 4.9 31.9 1.0
HA A:ASP79 4.9 4.0 1.0
HB2 A:ASP79 4.9 8.3 1.0

Manganese binding site 3 out of 5 in 8g4z

Go back to Manganese Binding Sites List in 8g4z
Manganese binding site 3 out of 5 in the E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn205

b:32.7
occ:0.59
 OD1 A:ASP87 2.1 40.5 1.0
CG A:ASP87 3.1 41.6 1.0
OD2 A:ASP87 3.4 54.1 1.0
O A:HOH428 3.7 19.6 1.0
HA A:ASP87 4.4 20.3 1.0
CB A:ASP87 4.5 21.9 1.0
HB3 A:ASP87 4.8 26.4 1.0
CA A:ASP87 4.8 16.9 1.0
N A:ASP87 5.0 9.7 1.0

Manganese binding site 4 out of 5 in 8g4z

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Manganese binding site 4 out of 5 in the E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn206

b:51.1
occ:0.65
 OD2 A:ASP11 2.9 16.8 1.0
CG A:ASP11 3.9 23.0 1.0
OD1 A:ASP11 4.2 18.9 1.0
HG12 A:VAL10 4.9 19.3 1.0

Manganese binding site 5 out of 5 in 8g4z

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Manganese binding site 5 out of 5 in the E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn207

b:38.9
occ:0.61
 O A:HOH411 2.1 44.4 1.0
O A:HOH395 2.1 17.6 0.6
O A:HOH422 2.3 28.6 1.0
OD1 A:ASP127 2.3 18.6 0.4
O A:HOH326 2.5 41.0 1.0
CG A:ASP127 3.3 17.3 0.4
H A:ASP127 3.6 9.6 0.6
OD2 A:ASP127 3.7 24.7 0.4
H A:ASP127 3.8 9.7 0.4
HG3 A:GLU101 3.9 7.8 0.6
OE2 A:GLU101 4.1 24.8 0.6
HB3 A:ASP127 4.2 12.6 0.6
HB3 A:PRO126 4.2 12.5 1.0
O A:ASP127 4.3 19.3 0.4
N A:ASP127 4.4 8.0 0.6
N A:ASP127 4.4 8.0 0.4
O A:HOH360 4.5 16.9 1.0
HG2 A:GLU101 4.5 6.3 0.4
HA A:PRO126 4.6 3.4 1.0
O A:HOH305 4.6 23.2 1.0
HB2 A:PRO126 4.7 12.5 1.0
CB A:ASP127 4.7 11.9 0.4
CG A:GLU101 4.8 6.5 0.6
CB A:PRO126 4.8 10.4 1.0
O A:ASP127 4.8 15.1 0.6
CD A:GLU101 4.9 14.1 0.6
CB A:ASP127 5.0 10.5 0.6
CA A:ASP127 5.0 13.3 0.4
HB3 A:ASP127 5.0 14.3 0.4

Reference:

J.B.Greisman, K.M.Dalton, D.E.Brookner, M.A.Klureza, D.R.Hekstra. E. Coli Dhfr Complex with Nadp+ and Folate: Ef-X Off Model By Laue Diffraction (No Electric Field) To Be Published.
Page generated: Sun Oct 6 12:19:05 2024

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