Zinc in PDB 5b5v: Structure of Full-Length MOB1B

The structure of Structure of Full-Length MOB1B, PDB code: 5b5v was solved by S.-Y.Kim, Y.Tachioka, T.Mori, T.Hakoshima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.67 / 2.19
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.355, 127.686, 59.294, 90.00, 91.03, 90.00
R / Rfree (%)	23.3 / 24.6

The structure of Structure of Full-Length MOB1B also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Structure of Full-Length MOB1B (pdb code 5b5v). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Full-Length MOB1B, PDB code: 5b5v:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Full-Length MOB1B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Full-Length MOB1B within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:61.6 occ:1.00 NE2 A:HIS166 2.0 65.5 1.0 NE2 A:HIS161 2.2 54.5 1.0 SG A:CYS79 2.5 61.0 1.0 SG A:CYS84 2.5 75.8 1.0 CE1 A:HIS166 2.9 61.8 1.0 CD2 A:HIS161 3.0 61.8 1.0 CD2 A:HIS166 3.1 63.6 1.0 CE1 A:HIS161 3.3 66.5 1.0 CB A:CYS79 3.3 61.4 1.0 CB A:CYS84 3.4 79.0 1.0 CA A:CYS79 3.8 63.3 1.0 CB A:ALA111 4.0 59.3 1.0 ND1 A:HIS166 4.1 58.1 1.0 CG A:HIS166 4.2 64.7 1.0 CG A:HIS161 4.2 58.7 1.0 ND1 A:HIS161 4.3 66.0 1.0 OG A:SER83 4.5 78.2 1.0 C A:CYS79 4.7 71.2 1.0 CB A:GLN165 4.8 58.3 1.0 CD A:PRO112 4.9 67.5 1.0 N A:CYS79 4.9 59.5 1.0 CA A:CYS84 4.9 80.0 1.0 O A:PHE78 4.9 65.7 1.0

Zinc binding site 2 out of 4 in the Structure of Full-Length MOB1B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Full-Length MOB1B within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:59.2 occ:1.00 NE2 B:HIS166 2.0 51.9 1.0 NE2 B:HIS161 2.1 62.7 1.0 SG B:CYS79 2.3 58.3 1.0 SG B:CYS84 2.6 63.8 1.0 CE1 B:HIS166 3.0 62.8 1.0 CE1 B:HIS161 3.0 61.5 1.0 CD2 B:HIS166 3.0 61.8 1.0 CD2 B:HIS161 3.1 62.0 1.0 CB B:CYS79 3.2 65.9 1.0 CB B:CYS84 3.4 71.8 1.0 CB B:ALA111 3.7 68.2 1.0 CA B:CYS79 3.8 74.9 1.0 ND1 B:HIS166 4.1 60.7 1.0 ND1 B:HIS161 4.1 63.0 1.0 CG B:HIS166 4.1 58.9 1.0 CG B:HIS161 4.2 58.9 1.0 CB B:GLN165 4.5 55.0 1.0 C B:CYS79 4.7 76.3 1.0 OG B:SER83 4.8 80.6 1.0 CA B:CYS84 4.9 68.6 1.0 N B:CYS79 4.9 70.3 1.0 O B:PHE78 5.0 71.1 1.0

Zinc binding site 3 out of 4 in the Structure of Full-Length MOB1B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Full-Length MOB1B within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:60.8 occ:1.00 NE2 C:HIS166 1.9 60.7 1.0 NE2 C:HIS161 2.0 66.0 1.0 SG C:CYS84 2.5 71.4 1.0 SG C:CYS79 2.5 58.9 1.0 CE1 C:HIS166 2.8 66.7 1.0 CE1 C:HIS161 2.9 57.4 1.0 CD2 C:HIS166 3.0 61.2 1.0 CD2 C:HIS161 3.1 63.8 1.0 CB C:CYS79 3.4 56.0 1.0 CB C:CYS84 3.5 72.8 1.0 CA C:CYS79 3.8 60.5 1.0 ND1 C:HIS166 4.0 57.0 1.0 ND1 C:HIS161 4.0 53.7 1.0 CB C:ALA111 4.0 55.6 1.0 CG C:HIS166 4.1 64.3 1.0 CG C:HIS161 4.1 58.8 1.0 OG C:SER83 4.5 75.2 1.0 CB C:GLN165 4.7 64.4 1.0 C C:CYS79 4.8 63.4 1.0 O C:PHE78 4.8 59.9 1.0 N C:CYS79 4.9 52.2 1.0 CA C:CYS84 4.9 76.0 1.0 CD C:PRO112 4.9 61.5 1.0

Zinc binding site 4 out of 4 in the Structure of Full-Length MOB1B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Full-Length MOB1B within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:58.1 occ:1.00 NE2 D:HIS166 2.0 54.5 1.0 NE2 D:HIS161 2.1 62.6 1.0 SG D:CYS79 2.2 56.4 1.0 SG D:CYS84 2.6 63.7 1.0 CE1 D:HIS161 3.0 63.6 1.0 CE1 D:HIS166 3.0 63.4 1.0 CD2 D:HIS166 3.0 62.9 1.0 CD2 D:HIS161 3.1 61.4 1.0 CB D:CYS79 3.1 57.3 1.0 CB D:CYS84 3.4 59.3 1.0 CB D:ALA111 3.7 61.5 1.0 CA D:CYS79 3.8 69.4 1.0 ND1 D:HIS166 4.1 61.0 1.0 ND1 D:HIS161 4.1 63.1 1.0 CG D:HIS166 4.2 59.1 1.0 CG D:HIS161 4.2 59.2 1.0 CB D:GLN165 4.6 56.2 1.0 C D:CYS79 4.6 70.3 1.0 CA D:CYS84 4.9 62.0 1.0 N D:CYS79 4.9 63.6 1.0

S.Y.Kim, Y.Tachioka, T.Mori, T.Hakoshima. Structural Basis For Autoinhibition and Its Relief of MOB1 in the Hippo Pathway Sci Rep V. 6 28488 2016.
ISSN: ESSN 2045-2322
PubMed: 27335147
DOI: 10.1038/SREP28488