Zinc in PDB 6f98: Thermolysin Complexed with Bnpa (2-Benzyl-3-Nitro Propanoic Acid Amide)

All present enzymatic activity of Thermolysin Complexed with Bnpa (2-Benzyl-3-Nitro Propanoic Acid Amide):
3.4.24.27;

The structure of Thermolysin Complexed with Bnpa (2-Benzyl-3-Nitro Propanoic Acid Amide), PDB code: 6f98 was solved by S.-F.Wang, J.-Y.Jin, G.-R.Tian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.48 / 1.93
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.094, 93.094, 129.280, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 21.3

The binding sites of Zinc atom in the Thermolysin Complexed with Bnpa (2-Benzyl-3-Nitro Propanoic Acid Amide) (pdb code 6f98). 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 Thermolysin Complexed with Bnpa (2-Benzyl-3-Nitro Propanoic Acid Amide), PDB code: 6f98:

Zinc binding site 1 out of 1 in the Thermolysin Complexed with Bnpa (2-Benzyl-3-Nitro Propanoic Acid Amide)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermolysin Complexed with Bnpa (2-Benzyl-3-Nitro Propanoic Acid Amide) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn805 b:19.6 occ:1.00 OE2 A:GLU166 2.1 17.4 1.0 NE2 A:HIS146 2.1 14.2 1.0 NE2 A:HIS142 2.1 10.1 1.0 OAN A:ZNP317 2.2 68.9 1.0 OAM A:ZNP317 2.6 68.0 1.0 NAK A:ZNP317 2.8 68.5 1.0 CD A:GLU166 2.9 18.4 1.0 OE1 A:GLU166 3.0 18.3 1.0 CD2 A:HIS142 3.1 11.7 1.0 CD2 A:HIS146 3.1 14.7 1.0 CE1 A:HIS146 3.1 16.1 1.0 CE1 A:HIS142 3.1 12.2 1.0 OH A:TYR157 3.9 23.9 1.0 CAA A:ZNP317 4.2 68.5 1.0 ND1 A:HIS142 4.2 13.0 1.0 ND1 A:HIS146 4.2 15.1 1.0 CG A:HIS142 4.2 10.9 1.0 CG A:HIS146 4.2 14.5 1.0 NE2 A:HIS231 4.3 19.1 1.0 CG A:GLU166 4.3 14.9 1.0 OE1 A:GLU143 4.5 22.3 1.0 CB A:SER169 4.5 16.2 1.0 CAF A:ZNP317 4.5 65.5 1.0 OE2 A:GLU143 4.6 29.3 1.0 OG A:SER169 4.7 16.9 1.0 CD2 A:HIS231 4.8 19.4 1.0 CA A:GLU166 4.9 12.9 1.0 CZ A:TYR157 4.9 22.1 1.0 CD A:GLU143 4.9 22.8 1.0 CAB A:ZNP317 5.0 68.1 1.0 CE1 A:TYR157 5.0 22.0 1.0

S.-F.Wang, J.-Y.Jin, G.-R.Tian. Nitro As Zbg in the Inhibition of Thermolysin To Be Published.