Zinc in PDB 3ljt: Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with An Amino-2-Indanol Compound

The structure of Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with An Amino-2-Indanol Compound, PDB code: 3ljt was solved by H.-S.Shieh, J.M.Williams, N.Caspers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.12 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.398, 44.518, 76.251, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19.8

The structure of Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with An Amino-2-Indanol Compound also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with An Amino-2-Indanol Compound (pdb code 3ljt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with An Amino-2-Indanol Compound, PDB code: 3ljt:

Zinc binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with An Amino-2-Indanol Compound


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 the Catalytic Domain of Adamts-5 in Complex with An Amino-2-Indanol Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:7.6 occ:1.00 NE2 A:HIS414 2.1 5.1 1.0 NE2 A:HIS420 2.1 7.7 1.0 NE2 A:HIS410 2.1 6.2 1.0 O23 A:LA3801 2.2 9.8 1.0 O21 A:LA3801 2.2 11.7 1.0 C20 A:LA3801 2.8 12.4 1.0 N22 A:LA3801 2.9 13.4 1.0 CE1 A:HIS414 3.0 5.3 1.0 CE1 A:HIS420 3.0 8.8 1.0 CD2 A:HIS410 3.0 4.1 1.0 CD2 A:HIS420 3.1 6.1 1.0 CD2 A:HIS414 3.1 5.6 1.0 CE1 A:HIS410 3.2 5.5 1.0 ND1 A:HIS414 4.1 6.4 1.0 ND1 A:HIS420 4.2 8.6 1.0 CG A:HIS420 4.2 6.4 1.0 CG A:HIS414 4.2 5.7 1.0 CG A:HIS410 4.2 6.1 1.0 ND1 A:HIS410 4.3 5.2 1.0 C19 A:LA3801 4.3 14.4 1.0 O A:HOH5040 4.3 14.7 1.0 OE2 A:GLU411 4.5 11.7 1.0 C8 A:LA3801 4.5 13.5 1.0 OE1 A:GLU411 4.6 7.0 1.0 C17 A:LA3801 4.6 13.7 1.0 O A:HOH5296 4.6 39.7 1.0 CE A:MET439 4.8 6.2 1.0 CD A:GLU411 4.9 8.7 1.0 O A:HOH5252 4.9 39.0 1.0

H.S.Shieh, A.G.Tomasselli, K.J.Mathis, M.E.Schnute, S.S.Woodard, N.Caspers, J.M.Williams, J.R.Kiefer, G.Munie, A.Wittwer, A.M.Malfait, M.D.Tortorella. Structure Analysis Reveals the Flexibility of the Adamts-5 Active Site. Protein Sci. V. 20 735 2011.
ISSN: ISSN 0961-8368
PubMed: 21370305
DOI: 10.1002/PRO.606