Zinc in PDB 3bxq: The Structure of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block to the Tr Transition

The structure of The Structure of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block to the Tr Transition, PDB code: 3bxq was solved by Z.L.Wan, K.Huang, S.Q.Hu, J.Whittaker, M.A.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.62 / 1.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	81.390, 81.390, 34.000, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 23.2

The binding sites of Zinc atom in the The Structure of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block to the Tr Transition (pdb code 3bxq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Structure of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block to the Tr Transition, PDB code: 3bxq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Structure of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block to the Tr Transition


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Structure of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block to the Tr Transition within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:3.0 occ:0.33 HE2 B:HIS10 1.2 11.6 1.0 NE2 B:HIS10 2.0 10.1 1.0 O B:HOH102 2.3 19.6 0.3 CE1 B:HIS10 3.0 11.0 1.0 CD2 B:HIS10 3.1 9.7 1.0 O B:HOH138 3.1 32.5 1.0 HE1 B:HIS10 3.2 11.3 1.0 HD2 B:HIS10 3.4 10.4 1.0 O B:HOH141 3.9 23.1 1.0 ND1 B:HIS10 4.1 12.2 1.0 CG B:HIS10 4.2 10.7 1.0 O B:HOH144 4.4 20.0 1.0 O B:HOH108 4.8 19.9 1.0 HD1 B:HIS10 5.0 11.3 1.0

Zinc binding site 2 out of 2 in the The Structure of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block to the Tr Transition


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Structure of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block to the Tr Transition within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn102 b:2.8 occ:0.33 HE2 D:HIS10 1.3 11.3 1.0 NE2 D:HIS10 2.0 9.9 1.0 O D:HOH131 2.5 30.5 1.0 CE1 D:HIS10 3.0 10.8 1.0 CD2 D:HIS10 3.1 9.8 1.0 O D:HOH103 3.2 18.9 0.3 HE1 D:HIS10 3.2 11.1 1.0 HD2 D:HIS10 3.3 10.1 1.0 ND1 D:HIS10 4.1 11.3 1.0 CG D:HIS10 4.2 10.5 1.0 O D:HOH130 4.8 29.1 1.0 O D:HOH133 4.9 26.1 1.0 HD1 D:HIS10 5.0 10.2 1.0

Q.X.Hua, S.H.Nakagawa, W.Jia, K.Huang, N.B.Phillips, S.Q.Hu, M.A.Weiss. Design of An Active Ultrastable Single-Chain Insulin Analog: Synthesis, Structure, and Therapeutic Implications. J.Biol.Chem. V. 283 14703 2008.
ISSN: ISSN 0021-9258
PubMed: 18332129
DOI: 10.1074/JBC.M800313200