The binding sites of Zinc atom in the structure of Leukotriene A4 Hydrolase in Complex With {4-[(2R)- Pyrrolidin-2-Ylmethoxy]Phenyl}(4-Thiophen-3-Ylphenyl) Methanone (pdb code 3fun). This binding sites where shown with 5.0 Angstroms radius around Zinc atom. The 3fun structure was solved by D.R.DAVIES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 50.0-1.6 | Space group | P212121 | a (A) | 78.534 | b (A) | 87.142 | c (A) | 99.497 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 17.6 | Rfree (%) | 20.1 |
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Zinc binding site 1 out of 1 in 3fun
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Zinc in the PDB 3fun. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu271, A: His295, A: His299, A: Glu318, A: Thr321, A: Tyr383, A: Hoh715, A: Hoh756, A: Hoh824, A: Hoh980, | conact list:
Atom | Atom | Distance (A) | Zn | OE1 A:Glu271 | 4.51 | Zn | OE2 A:Glu271 | 4.89 | Zn | CD A:Glu271 | 4.91 | Zn | NE2 A:His295 | 2.07 | Zn | ND1 A:His295 | 4.16 | Zn | CD2 A:His295 | 3.07 | Zn | CE1 A:His295 | 3.04 | Zn | CG A:His295 | 4.20 | Zn | NE2 A:His299 | 2.03 | Zn | ND1 A:His299 | 4.08 | Zn | CD2 A:His299 | 3.09 | Zn | CE1 A:His299 | 2.93 | Zn | CG A:His299 | 4.18 | Zn | OE1 A:Glu318 | 2.04 | Zn | CB A:Glu318 | 4.79 | Zn | OE2 A:Glu318 | 2.74 | Zn | CD A:Glu318 | 2.70 | Zn | CG A:Glu318 | 4.18 | Zn | CA A:Glu318 | 4.86 | Zn | CB A:Thr321 | 4.73 | Zn | CG2 A:Thr321 | 4.42 | Zn | CE2 A:Tyr383 | 3.70 | Zn | CD2 A:Tyr383 | 4.64 | Zn | CZ A:Tyr383 | 4.16 | Zn | OH A:Tyr383 | 3.94 | Zn | O A:Hoh715 | 4.53 | Zn | O A:Hoh756 | 3.74 | Zn | O A:Hoh824 | 1.70 | Zn | O A:Hoh980 | 3.13 |
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