Zinc in PDB 2qra: Crystal Structure of Xiap BIR1 Domain (P21 Form)

The structure of Crystal Structure of Xiap BIR1 Domain (P21 Form), PDB code: 2qra was solved by S.-C.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.563, 72.983, 68.904, 90.00, 95.69, 90.00
R / Rfree (%)	19.6 / 25.3

The binding sites of Zinc atom in the Crystal Structure of Xiap BIR1 Domain (P21 Form) (pdb code 2qra). 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 Xiap BIR1 Domain (P21 Form), PDB code: 2qra:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Xiap BIR1 Domain (P21 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 Xiap BIR1 Domain (P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn3100 b:51.0 occ:1.00 SG D:CYS3090 2.0 78.3 1.0 SG D:CYS3066 2.0 61.1 1.0 SG D:CYS3063 2.1 45.8 1.0 NE2 D:HIS3083 2.5 53.7 1.0 CB D:CYS3066 3.0 62.9 1.0 CB D:CYS3063 3.1 49.7 1.0 CB D:CYS3090 3.1 75.2 1.0 CE1 D:HIS3083 3.3 48.1 1.0 CD2 D:HIS3083 3.4 50.9 1.0 N D:CYS3066 3.6 59.7 1.0 CA D:CYS3066 3.9 60.0 1.0 ND1 D:HIS3083 4.4 47.5 1.0 CA D:CYS3090 4.4 74.1 1.0 CG D:HIS3083 4.5 48.4 1.0 CA D:CYS3063 4.5 50.6 1.0 CB D:SER3087 4.6 57.6 1.0 C D:SER3065 4.7 63.7 1.0 CB D:SER3065 4.7 58.7 1.0 C D:CYS3066 4.7 58.0 1.0 CB D:PHE3092 4.9 59.9 1.0 CG1 D:ILE3093 4.9 56.0 1.0 OG D:SER3065 4.9 61.5 1.0 N D:HIS3067 4.9 56.4 1.0 OG D:SER3087 5.0 53.8 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Xiap BIR1 Domain (P21 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 Xiap BIR1 Domain (P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn2100 b:26.1 occ:1.00 NE2 C:HIS2083 2.2 25.4 1.0 SG C:CYS2090 2.2 29.0 1.0 SG C:CYS2063 2.3 27.2 1.0 SG C:CYS2066 2.4 26.1 1.0 CE1 C:HIS2083 3.0 26.9 1.0 CB C:CYS2063 3.0 22.3 1.0 CB C:CYS2090 3.1 38.8 1.0 CB C:CYS2066 3.1 22.7 1.0 CD2 C:HIS2083 3.3 29.4 1.0 N C:CYS2066 3.6 27.1 1.0 CA C:CYS2066 3.9 27.9 1.0 ND1 C:HIS2083 4.2 35.3 1.0 CA C:CYS2090 4.4 36.5 1.0 CG C:HIS2083 4.4 26.8 1.0 CA C:CYS2063 4.5 30.3 1.0 CB C:SER2087 4.5 23.5 1.0 CG1 C:ILE2093 4.7 33.9 1.0 OG C:SER2087 4.7 29.5 1.0 C C:CYS2066 4.7 31.8 1.0 C C:SER2065 4.7 34.8 1.0 CB C:PHE2092 4.7 26.1 1.0 CB C:SER2065 4.8 33.1 1.0 N C:HIS2067 4.8 33.3 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Xiap BIR1 Domain (P21 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 Xiap BIR1 Domain (P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1100 b:47.9 occ:1.00 SG B:CYS1066 2.0 56.9 1.0 NE2 B:HIS1083 2.2 43.5 1.0 SG B:CYS1063 2.2 59.7 1.0 SG B:CYS1090 2.4 62.6 1.0 CE1 B:HIS1083 2.9 44.2 1.0 CB B:CYS1066 3.0 53.9 1.0 CB B:CYS1063 3.0 55.1 1.0 CD2 B:HIS1083 3.3 47.1 1.0 CB B:CYS1090 3.4 62.6 1.0 N B:CYS1066 3.8 53.1 1.0 OG B:SER1065 3.9 71.2 1.0 CA B:CYS1066 3.9 48.2 1.0 ND1 B:HIS1083 4.0 52.6 1.0 CG B:HIS1083 4.3 49.0 1.0 CA B:CYS1063 4.5 55.3 1.0 CA B:CYS1090 4.6 63.8 1.0 C B:CYS1066 4.7 47.1 1.0 N B:HIS1067 4.8 49.0 1.0 C B:SER1065 4.8 56.2 1.0 CG1 B:ILE1093 4.8 71.3 1.0 CB B:PHE1092 4.9 57.1 1.0 CB B:SER1087 5.0 46.6 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Xiap BIR1 Domain (P21 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 Xiap BIR1 Domain (P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn100 b:27.0 occ:1.00 NE2 A:HIS83 2.1 28.3 1.0 SG A:CYS90 2.1 30.4 1.0 SG A:CYS63 2.3 29.5 1.0 SG A:CYS66 2.4 26.3 1.0 CE1 A:HIS83 2.9 27.3 1.0 CB A:CYS63 3.0 21.1 1.0 CB A:CYS66 3.1 22.6 1.0 CB A:CYS90 3.1 34.0 1.0 CD2 A:HIS83 3.2 22.6 1.0 N A:CYS66 3.6 33.6 1.0 CA A:CYS66 3.9 31.9 1.0 ND1 A:HIS83 4.1 26.9 1.0 CG A:HIS83 4.3 28.3 1.0 CA A:CYS90 4.5 32.0 1.0 CA A:CYS63 4.5 28.9 1.0 C A:CYS66 4.7 30.1 1.0 C A:SER65 4.7 36.3 1.0 CB A:PHE92 4.7 25.9 1.0 CB A:SER87 4.8 29.8 1.0 OG A:SER87 4.8 22.0 1.0 CB A:SER65 4.8 33.6 1.0 N A:HIS67 4.9 31.1 1.0

S.C.Lin, Y.Huang, Y.C.Lo, M.Lu, H.Wu. Crystal Structure of the BIR1 Domain of Xiap in Two Crystal Forms J.Mol.Biol. V. 372 847 2007.
ISSN: ISSN 0022-2836
PubMed: 17698078
DOI: 10.1016/J.JMB.2007.07.019