Zinc in PDB 2jjz: Crystal Structure of Human IBA2, Orthorhombic Crystal Form

The structure of Crystal Structure of Human IBA2, Orthorhombic Crystal Form, PDB code: 2jjz was solved by J.O.Schulze, C.Quedenau, Y.Roske, A.Turnbull, U.Mueller, U.Heinemann, K.Buessow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.81 / 2.15
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.540, 186.500, 51.420, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.7

The structure of Crystal Structure of Human IBA2, Orthorhombic Crystal Form also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form (pdb code 2jjz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form, PDB code: 2jjz:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form


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 Human IBA2, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1126 b:30.6 occ:1.00 O A:ACT1127 1.7 20.5 1.0 OE1 B:GLU43 2.0 31.3 1.0 OE2 A:GLU28 2.2 34.3 1.0 OE1 A:GLU28 2.8 31.2 1.0 C A:ACT1127 2.8 25.0 1.0 CD A:GLU28 2.8 33.1 1.0 CD B:GLU43 2.8 30.2 1.0 OE2 B:GLU43 3.1 29.8 1.0 CH3 A:ACT1127 3.4 23.8 1.0 NH1 A:ARG31 3.9 19.6 1.0 OXT A:ACT1127 3.9 24.7 1.0 CG B:GLU43 4.2 26.4 1.0 CG A:GLU28 4.3 31.8 1.0 CA B:GLU43 4.3 24.6 1.0 N B:ASN44 4.4 25.1 1.0 O B:HOH2032 4.5 50.3 1.0 CB B:GLU43 4.6 24.8 1.0 O A:HOH2006 4.8 30.8 1.0 CZ A:ARG31 4.9 24.6 1.0 C B:GLU43 4.9 23.6 1.0 O B:GLU42 5.0 25.3 1.0 CD A:ARG31 5.0 24.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form


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 Human IBA2, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1128 b:37.4 occ:1.00 OE2 C:GLU64 2.0 40.5 1.0 OD2 B:ASP107 2.1 28.3 1.0 O B:HOH2092 2.2 35.2 1.0 CG B:ASP107 2.8 27.1 1.0 CD C:GLU64 2.8 37.9 1.0 OD1 B:ASP107 2.8 28.2 1.0 OE1 C:GLU64 3.0 37.3 1.0 O B:HOH2075 4.1 37.6 1.0 OG B:SER104 4.1 30.6 1.0 O B:THR102 4.2 32.0 1.0 CG2 B:THR96 4.2 30.9 1.0 CG C:GLU64 4.2 34.1 1.0 CB B:ASP107 4.3 24.8 1.0 CB B:SER100 4.4 34.1 1.0 OG B:SER100 4.4 37.2 1.0 N B:SER104 4.5 28.3 1.0 CB B:SER104 4.7 27.5 1.0 CB B:THR96 4.8 31.6 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human IBA2, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1128 b:30.3 occ:1.00 OXT C:ACT1129 1.8 31.2 1.0 OE2 C:GLU28 1.9 31.9 1.0 OE1 D:GLU43 2.0 31.0 1.0 CD C:GLU28 2.6 25.3 1.0 OE1 C:GLU28 2.7 27.5 1.0 CD D:GLU43 2.7 28.4 1.0 OE2 D:GLU43 2.8 24.2 1.0 C C:ACT1129 2.9 34.6 1.0 CH3 C:ACT1129 3.7 33.0 1.0 NH1 C:ARG31 3.9 24.6 1.0 O C:ACT1129 3.9 34.6 1.0 CG C:GLU28 4.1 26.0 1.0 N D:ASN44 4.2 34.5 1.0 CG D:GLU43 4.2 31.5 1.0 CA D:GLU43 4.5 32.6 1.0 O D:HOH2013 4.5 48.7 1.0 CZ C:ARG31 4.8 22.6 1.0 O D:GLU42 4.8 31.7 1.0 C D:GLU43 4.9 33.8 1.0 CD C:ARG31 4.9 21.4 1.0 CB D:GLU43 4.9 32.4 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Human IBA2, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1123 b:44.1 occ:0.50 OE1 D:GLU32 1.8 38.7 1.0 CD D:GLU32 2.5 38.5 1.0 OE2 D:GLU32 2.5 34.6 1.0 CG D:GLU32 3.8 34.2 1.0 NH2 D:ARG106 3.9 43.0 1.0 CB D:GLU32 4.4 38.0 1.0 CD D:GLU28 4.6 54.4 1.0 CG D:GLU28 4.7 47.9 1.0 OE1 D:GLU28 4.8 56.1 1.0 OE2 D:GLU28 4.9 56.3 1.0

J.O.Schulze, C.Quedenau, Y.Roske, T.Adam, H.Schuler, J.Behlke, A.P.Turnbull, V.Sievert, C.Scheich, U.Mueller, U.Heinemann, K.Bussow. Structural and Functional Characterization of Human Iba Proteins. Febs J. V. 275 4627 2008.
ISSN: ISSN 1742-464X
PubMed: 18699778
DOI: 10.1111/J.1742-4658.2008.06605.X