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Zinc in PDB 6h3r: Crystal Structure of SMAD2 Without Exon -MH1 Bound to the Cagac Site.

Protein crystallography data

The structure of Crystal Structure of SMAD2 Without Exon -MH1 Bound to the Cagac Site., PDB code: 6h3r was solved by Z.Kaczmarska, J.A.Marquez, M.J.Macias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.80 / 2.75
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.140, 80.140, 143.840, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 22.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of SMAD2 Without Exon -MH1 Bound to the Cagac Site. (pdb code 6h3r). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of SMAD2 Without Exon -MH1 Bound to the Cagac Site., PDB code: 6h3r:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6h3r

Go back to Zinc Binding Sites List in 6h3r
Zinc binding site 1 out of 2 in the Crystal Structure of SMAD2 Without Exon -MH1 Bound to the Cagac Site.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of SMAD2 Without Exon -MH1 Bound to the Cagac Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn201

b:76.1
occ:1.00
ND1 A:HIS166 2.1 78.1 1.0
SG A:CYS74 2.3 69.1 1.0
SG A:CYS161 2.3 78.8 1.0
SG A:CYS149 2.3 83.2 1.0
CB A:CYS161 3.0 73.6 1.0
CG A:HIS166 3.1 76.2 1.0
CE1 A:HIS166 3.2 79.0 1.0
CB A:HIS166 3.3 72.2 1.0
CB A:CYS74 3.4 66.1 1.0
CB A:CYS149 3.5 83.8 1.0
CA A:CYS74 3.7 67.3 1.0
CA A:CYS149 3.8 86.8 1.0
CD2 A:HIS166 4.3 78.0 1.0
NE2 A:HIS166 4.3 79.4 1.0
C A:CYS149 4.4 89.9 1.0
CA A:CYS161 4.5 68.8 1.0
N A:GLU150 4.5 87.0 1.0
CB A:ASN163 4.6 66.6 1.0
N A:CYS74 4.7 72.3 1.0
N A:TYR151 4.7 82.0 1.0
N A:VAL75 4.8 69.6 1.0
C A:CYS74 4.8 73.0 1.0
CA A:HIS166 4.9 73.2 1.0
C A:TYR151 5.0 77.0 1.0

Zinc binding site 2 out of 2 in 6h3r

Go back to Zinc Binding Sites List in 6h3r
Zinc binding site 2 out of 2 in the Crystal Structure of SMAD2 Without Exon -MH1 Bound to the Cagac Site.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of SMAD2 Without Exon -MH1 Bound to the Cagac Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn201

b:85.8
occ:1.00
SG B:CYS74 2.2 93.8 1.0
ND1 B:HIS166 2.2 88.7 1.0
SG B:CYS161 2.4 84.3 1.0
SG B:CYS149 2.4 84.8 1.0
CB B:CYS161 3.0 79.9 1.0
CG B:HIS166 3.2 85.8 1.0
CE1 B:HIS166 3.2 90.7 1.0
CB B:CYS149 3.3 85.7 1.0
CB B:CYS74 3.3 89.8 1.0
CB B:HIS166 3.4 80.1 1.0
CA B:CYS149 3.7 90.3 1.0
CA B:CYS74 3.7 89.2 1.0
C B:CYS149 4.3 96.1 1.0
NE2 B:HIS166 4.3 91.6 1.0
CD2 B:HIS166 4.3 89.4 1.0
N B:GLU150 4.4 94.8 1.0
CA B:CYS161 4.5 76.6 1.0
N B:TYR151 4.5 88.8 1.0
N B:CYS74 4.7 93.2 1.0
CB B:ASN163 4.7 81.9 1.0
C B:CYS74 4.8 93.6 1.0
N B:VAL75 4.8 86.1 1.0
C B:TYR151 4.9 87.4 1.0
N B:ALA152 4.9 86.3 1.0
CA B:HIS166 5.0 80.5 1.0
N B:CYS149 5.0 96.0 1.0

Reference:

L.Ruiz, Z.Kaczmarska, E.Aragon, T.Gomes, P.Martin Malpartida, N.De Martin Garrido, R.Freier, J.A.Marquez, M.J.Macias. Recognition of 5GC Dna Motifs Is Conserved in Bmp and Tgf-Beta Activated Smads To Be Published.
Page generated: Mon Oct 28 22:22:13 2024

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