Zinc in PDB 3kmp: Crystal Structure of SMAD1-MH1/Dna Complex

The structure of Crystal Structure of SMAD1-MH1/Dna Complex, PDB code: 3kmp was solved by N.Baburajendran, P.Palasingam, K.Narasimhan, R.Jauch, P.R.Kolatkar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.41 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.938, 77.490, 83.780, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 25

The binding sites of Zinc atom in the Crystal Structure of SMAD1-MH1/Dna Complex (pdb code 3kmp). 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 SMAD1-MH1/Dna Complex, PDB code: 3kmp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of SMAD1-MH1/Dna Complex


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 SMAD1-MH1/Dna Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2 b:53.1 occ:1.00 ND1 A:HIS126 2.0 55.5 1.0 SG A:CYS64 2.3 68.4 1.0 SG A:CYS109 2.3 46.4 1.0 SG A:CYS121 2.5 58.1 1.0 CE1 A:HIS126 2.9 52.0 1.0 CG A:HIS126 3.1 63.9 1.0 CB A:CYS121 3.1 45.6 1.0 CB A:CYS64 3.2 48.5 1.0 CB A:CYS109 3.2 55.8 1.0 CA A:CYS64 3.4 56.7 1.0 CB A:HIS126 3.5 44.7 1.0 CA A:CYS109 3.6 56.8 1.0 NE2 A:HIS126 4.1 48.5 1.0 N A:GLU110 4.1 62.1 1.0 N A:CYS64 4.1 58.9 1.0 CD2 A:HIS126 4.2 47.0 1.0 C A:CYS109 4.3 65.9 1.0 N A:PHE111 4.4 51.6 1.0 C A:CYS64 4.6 56.8 1.0 CA A:CYS121 4.6 53.8 1.0 CB A:ASN123 4.7 48.7 1.0 N A:VAL65 4.7 49.5 1.0 N A:CYS109 4.8 75.3 1.0 C A:ASN63 4.9 61.2 1.0 CA A:HIS126 5.0 57.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of SMAD1-MH1/Dna Complex


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 SMAD1-MH1/Dna Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1 b:54.7 occ:1.00 ND1 B:HIS126 2.0 52.4 1.0 SG B:CYS64 2.3 66.4 1.0 SG B:CYS109 2.3 45.2 1.0 SG B:CYS121 2.4 62.8 1.0 CE1 B:HIS126 3.0 53.4 1.0 CG B:HIS126 3.1 60.0 1.0 CB B:CYS121 3.1 49.8 1.0 CB B:CYS109 3.3 57.9 1.0 CB B:CYS64 3.3 46.2 1.0 CB B:HIS126 3.4 44.0 1.0 CA B:CYS64 3.5 57.2 1.0 CA B:CYS109 3.6 63.8 1.0 NE2 B:HIS126 4.1 49.8 1.0 CD2 B:HIS126 4.2 50.2 1.0 N B:GLU110 4.2 59.9 1.0 N B:CYS64 4.3 55.6 1.0 C B:CYS109 4.3 65.4 1.0 N B:PHE111 4.4 49.6 1.0 CA B:CYS121 4.6 49.9 1.0 CB B:ASN123 4.6 52.7 1.0 C B:CYS64 4.6 55.4 1.0 N B:VAL65 4.7 54.1 1.0 N B:CYS109 4.8 75.5 1.0 CA B:HIS126 4.9 58.4 1.0

N.Baburajendran, P.Palasingam, K.Narasimhan, W.Sun, S.Prabhakar, R.Jauch, P.R.Kolatkar. Structure of SMAD1 MH1/Dna Complex Reveals Distinctive Rearrangements of Bmp and Tgf-Beta Effectors. Nucleic Acids Res. V. 38 3477 2010.
ISSN: ISSN 0305-1048
PubMed: 20147459
DOI: 10.1093/NAR/GKQ046