Zinc in PDB 4ne7: Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367

The structure of Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367, PDB code: 4ne7 was solved by R.Guan, I.S.Pultz, J.B.Siegel, J.Seetharaman, G.Kornhaber, M.Maglaqui, L.Mao, R.Xiao, J.K.Everett, D.Baker, G.T.Montelione, Northeast Structuralgenomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.79 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.885, 110.885, 75.992, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 24

The binding sites of Zinc atom in the Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367 (pdb code 4ne7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367, PDB code: 4ne7:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367


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 Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:20.6 occ:0.56 OD1 A:ASP316 2.1 27.7 1.0 O A:GLY336 2.2 20.9 1.0 O A:GLY334 2.3 34.2 1.0 OD2 A:ASP338 2.4 28.0 1.0 O A:HOH502 2.5 18.0 1.0 O A:ILE317 2.5 23.2 1.0 CG A:ASP316 3.2 30.8 1.0 C A:GLY336 3.4 29.2 1.0 C A:GLY334 3.5 22.7 1.0 C A:ILE317 3.5 28.3 1.0 CG A:ASP338 3.6 25.0 1.0 OD2 A:ASP316 3.7 29.2 1.0 N A:GLY336 3.8 27.6 1.0 N A:ILE317 3.9 16.1 1.0 N A:GLY334 4.1 30.0 1.0 CA A:GLY336 4.1 25.2 1.0 C A:PRO335 4.1 28.4 1.0 O A:GLY342 4.2 22.3 1.0 CA A:ILE317 4.3 19.8 1.0 OG1 A:THR341 4.3 14.0 1.0 CB A:ASP338 4.3 31.4 1.0 CA A:GLY334 4.4 21.6 1.0 N A:PRO335 4.4 36.5 1.0 N A:ASP338 4.4 19.2 1.0 N A:TRP337 4.4 27.6 1.0 C A:ASP316 4.4 32.5 1.0 CB A:ASP316 4.5 22.7 1.0 CA A:PRO335 4.5 37.5 1.0 OD1 A:ASP338 4.5 25.3 1.0 N A:THR318 4.5 18.0 1.0 C A:TRP337 4.5 18.5 1.0 CG2 A:THR318 4.5 22.5 1.0 CA A:ASP316 4.6 21.5 1.0 CA A:TRP337 4.7 21.9 1.0 CA A:THR318 4.7 23.5 1.0 O A:PRO335 4.7 29.0 1.0 CB A:ILE317 4.9 20.5 1.0

Zinc binding site 2 out of 5 in the Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367


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 Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:17.4 occ:0.67 O A:HOH576 2.0 17.1 1.0 O A:HOH568 2.0 19.5 1.0 O A:HOH562 2.1 25.1 1.0 OE1 A:GLU319 2.2 20.2 1.0 OE2 A:GLU319 2.6 16.8 1.0 CD A:GLU319 2.7 21.6 1.0 O A:HOH628 3.7 41.7 1.0 CG A:GLU319 4.2 19.8 1.0 CB A:GLU319 4.9 15.8 1.0

Zinc binding site 3 out of 5 in the Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367


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 Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:22.3 occ:0.75 OD2 A:ASP258 2.0 30.8 1.0 OD1 A:ASP210 2.0 21.8 1.0 O A:HOH598 2.0 23.0 1.0 O A:HOH564 2.0 35.1 1.0 O A:HOH543 2.3 30.2 1.0 O A:HOH629 2.6 20.3 1.0 CG A:ASP258 2.8 33.5 1.0 OD1 A:ASP258 2.9 30.9 1.0 CG A:ASP210 3.0 27.9 1.0 OD2 A:ASP210 3.3 39.2 1.0 O A:HOH503 3.9 25.4 1.0 CD A:ARG194 3.9 39.3 1.0 NE A:ARG194 4.2 31.4 1.0 O A:HOH613 4.2 38.9 1.0 CB A:ASP258 4.2 26.2 1.0 CB A:ASP210 4.3 28.3 1.0 CD1 A:TRP208 4.3 21.8 1.0 O A:HOH630 4.3 36.7 1.0 CB A:ALA260 4.6 25.3 1.0 NE1 A:TRP208 4.6 24.1 1.0 CG A:ARG194 4.6 17.1 1.0 CA A:ASP210 4.7 26.4 1.0 O A:ASN209 4.7 29.8 1.0 N A:ASP210 4.9 32.4 1.0 C A:ASN209 4.9 22.8 1.0

Zinc binding site 4 out of 5 in the Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367


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 Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:33.5 occ:0.56 OD2 A:ASP173 2.0 49.0 1.0 O A:HOH582 2.1 25.2 1.0 NE2 A:HIS177 2.1 49.8 1.0 O A:HOH547 2.4 32.9 1.0 OE1 A:GLU171 2.6 43.7 1.0 CD2 A:HIS177 3.0 51.8 1.0 CD A:GLU171 3.0 60.3 1.0 OE2 A:GLU171 3.0 60.4 1.0 CG A:ASP173 3.0 65.3 1.0 CE1 A:HIS177 3.2 50.6 1.0 OD2 A:ASP134 3.6 64.8 1.0 OD1 A:ASP173 3.7 56.5 1.0 CB A:ASP173 4.1 51.4 1.0 CG A:HIS177 4.1 53.7 1.0 ND1 A:HIS177 4.2 44.7 1.0 O A:HOH558 4.2 28.6 1.0 CG A:GLU171 4.2 64.0 1.0 CG A:ASP134 4.4 60.0 1.0 CB A:GLU171 4.5 42.9 1.0 OD1 A:ASP134 4.6 76.1 1.0

Zinc binding site 5 out of 5 in the Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Engineered Kumamolisin-As From Alicyclobacillus Sendaiensis, Northeast Structural Genomics Consortium (Nesg) Target OR367 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:11.2 occ:0.80 NE2 A:HIS116 1.9 13.0 1.0 OD2 A:ASP150 2.1 24.8 1.0 O A:HOH575 2.2 17.5 1.0 OD1 A:ASP150 2.4 22.3 1.0 CE1 A:HIS116 2.6 19.1 1.0 CG A:ASP150 2.6 21.4 1.0 CD2 A:HIS116 3.2 22.0 1.0 ND1 A:HIS116 3.8 17.1 1.0 CD1 A:LEU154 3.9 18.3 1.0 CB A:ASP150 4.1 13.9 1.0 CG A:HIS116 4.1 18.4 1.0 O A:HOH563 4.2 20.3 1.0 CG A:LEU154 4.5 28.6 1.0 CD2 A:LEU154 4.9 24.9 1.0

R.Guan, I.S.Pultz, J.Seetharaman, G.Kornhaber, L.Mao, R.Xiao, M.Maglaqui, J.K.Everett, T.B.Acton, D.Baker, G.T.Montelione. Northeast Structural Genomics Consortium Target OR367 To Be Published.