Zinc in PDB 7lw2: Crystal Structure of Ev-D68 2A Protease N84T Mutant

All present enzymatic activity of Crystal Structure of Ev-D68 2A Protease N84T Mutant:
3.4.22.29;

The structure of Crystal Structure of Ev-D68 2A Protease N84T Mutant, PDB code: 7lw2 was solved by C.Liu, M.-Y.Lee, W.Liu, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.43 / 2.57
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	119.255, 119.255, 80.326, 90, 90, 90
R / Rfree (%)	21.6 / 24.2

The binding sites of Zinc atom in the Crystal Structure of Ev-D68 2A Protease N84T Mutant (pdb code 7lw2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of Ev-D68 2A Protease N84T Mutant, PDB code: 7lw2:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Crystal Structure of Ev-D68 2A Protease N84T Mutant


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 Ev-D68 2A Protease N84T Mutant within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn201 b:77.8 occ:1.00 ND1 E:HIS115 2.1 62.1 1.0 SG E:CYS53 2.3 65.0 1.0 SG E:CYS113 2.3 59.7 1.0 SG E:CYS55 2.3 72.8 1.0 HB2 E:CYS55 2.8 67.1 1.0 HB2 E:HIS115 2.9 60.4 1.0 CE1 E:HIS115 3.0 55.2 1.0 HB2 E:CYS53 3.0 63.4 1.0 CB E:CYS53 3.0 52.9 1.0 HB3 E:CYS53 3.1 63.4 1.0 CG E:HIS115 3.1 55.3 1.0 HE1 E:HIS115 3.1 66.1 1.0 CB E:CYS55 3.2 56.0 1.0 H E:HIS115 3.4 50.9 1.0 CB E:CYS113 3.5 41.4 1.0 CB E:HIS115 3.5 50.4 1.0 H E:CYS55 3.5 62.0 1.0 HB1 E:ALA51 3.7 60.0 1.0 HB3 E:CYS55 3.8 67.1 1.0 HD2 E:PRO114 3.9 65.7 1.0 NE2 E:HIS115 4.1 57.1 1.0 N E:HIS115 4.1 42.5 1.0 OG B:SER68 4.1 57.0 1.0 CD2 E:HIS115 4.2 56.2 1.0 HB3 E:HIS115 4.2 60.4 1.0 N E:CYS55 4.2 51.8 1.0 CA E:CYS55 4.3 57.6 1.0 HH11 E:ARG135 4.4 72.2 1.0 CA E:HIS115 4.4 42.0 1.0 CA E:CYS53 4.5 44.0 1.0 CB E:ALA51 4.5 50.1 1.0 HH12 E:ARG135 4.6 72.2 1.0 CD1 E:ILE118 4.6 64.5 1.0 HA E:CYS55 4.7 69.0 1.0 HB2 E:ALA51 4.7 60.0 1.0 CD E:PRO114 4.7 54.9 1.0 CA E:CYS113 4.7 51.6 1.0 H E:LYS54 4.8 61.8 1.0 HG12 E:ILE118 4.8 69.1 1.0 N E:PRO114 4.8 53.9 1.0 NH1 E:ARG135 4.8 60.2 1.0 HE2 E:HIS115 4.9 68.4 1.0 C E:CYS113 4.9 52.9 1.0 HB3 E:ALA51 4.9 60.0 1.0 HG13 E:ILE118 4.9 69.1 1.0 H E:GLY116 5.0 70.2 1.0 N E:LYS54 5.0 51.6 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of Ev-D68 2A Protease N84T Mutant


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 Ev-D68 2A Protease N84T Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:82.0 occ:1.00 ND1 A:HIS115 2.1 67.9 1.0 SG A:CYS53 2.3 75.9 1.0 SG A:CYS55 2.3 78.1 1.0 SG A:CYS113 2.3 54.4 1.0 HB2 A:CYS55 2.8 78.1 1.0 CE1 A:HIS115 2.9 63.2 1.0 HB2 A:HIS115 2.9 72.4 1.0 HB2 A:CYS53 3.0 81.8 1.0 HE1 A:HIS115 3.1 75.7 1.0 CB A:CYS53 3.1 68.2 1.0 CG A:HIS115 3.1 61.9 1.0 CB A:CYS55 3.1 65.2 1.0 HB3 A:CYS53 3.2 81.8 1.0 HB2 A:CYS113 3.4 58.9 1.0 H A:CYS55 3.4 77.8 1.0 CB A:CYS113 3.5 49.1 1.0 H A:HIS115 3.5 73.5 1.0 CB A:HIS115 3.5 60.4 1.0 HB1 A:ALA51 3.7 61.4 1.0 HB3 A:CYS55 3.8 78.1 1.0 HB3 A:CYS113 3.8 58.9 1.0 NE2 A:HIS115 4.1 74.3 1.0 N A:CYS55 4.1 65.0 1.0 CD2 A:HIS115 4.2 57.8 1.0 HD2 A:PRO114 4.2 70.3 1.0 HB3 A:HIS115 4.2 72.4 1.0 CA A:CYS55 4.2 63.2 1.0 N A:HIS115 4.3 61.3 1.0 CB A:ALA51 4.5 51.2 1.0 CA A:HIS115 4.5 60.7 1.0 CA A:CYS53 4.6 66.1 1.0 CD1 A:ILE118 4.6 65.5 1.0 HA A:CYS55 4.6 75.8 1.0 HB2 A:ALA51 4.7 61.4 1.0 H A:LYS54 4.7 86.5 1.0 HG12 A:ILE118 4.7 76.2 1.0 HB3 A:ALA51 4.8 61.4 1.0 CA A:CYS113 4.8 54.4 1.0 HE2 A:HIS115 4.8 89.0 1.0 N A:PRO114 4.9 52.6 1.0 N A:LYS54 4.9 72.2 1.0 C A:CYS113 5.0 57.1 1.0 CD A:PRO114 5.0 58.7 1.0 C A:CYS53 5.0 71.5 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of Ev-D68 2A Protease N84T Mutant


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 Ev-D68 2A Protease N84T Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:67.4 occ:1.00 ND1 B:HIS115 2.0 56.9 1.0 SG B:CYS53 2.3 72.2 1.0 SG B:CYS55 2.3 55.0 1.0 SG B:CYS113 2.3 64.8 1.0 HB2 B:CYS55 2.6 69.7 1.0 CE1 B:HIS115 2.9 61.7 1.0 HE1 B:HIS115 3.0 73.9 1.0 CB B:CYS55 3.0 58.2 1.0 HB2 B:HIS115 3.0 60.6 1.0 HB2 B:CYS53 3.1 79.5 1.0 CB B:CYS53 3.1 66.3 1.0 CG B:HIS115 3.2 52.7 1.0 HB3 B:CYS53 3.2 79.5 1.0 HD11 B:ILE118 3.4 68.7 1.0 HB2 B:CYS113 3.4 58.2 1.0 H B:CYS55 3.4 65.4 1.0 CB B:CYS113 3.5 48.6 1.0 HB1 B:ALA51 3.6 69.0 1.0 CB B:HIS115 3.6 50.6 1.0 H B:HIS115 3.6 64.8 1.0 HB3 B:CYS55 3.6 69.7 1.0 HG E:SER68 3.7 82.1 1.0 HB3 B:CYS113 3.8 58.2 1.0 NE2 B:HIS115 4.1 58.2 1.0 N B:CYS55 4.1 54.6 1.0 HD2 B:PRO114 4.1 57.9 1.0 CA B:CYS55 4.1 58.2 1.0 HH11 B:ARG135 4.2 72.9 1.0 CD2 B:HIS115 4.2 58.6 1.0 HB3 B:HIS115 4.3 60.6 1.0 CD1 B:ILE118 4.4 57.3 1.0 N B:HIS115 4.4 54.1 1.0 CB B:ALA51 4.5 57.6 1.0 HH12 B:ARG135 4.5 72.9 1.0 OG E:SER68 4.5 68.5 1.0 HA B:CYS55 4.5 69.7 1.0 CA B:CYS53 4.6 57.1 1.0 CA B:HIS115 4.6 49.2 1.0 HG12 B:ILE118 4.6 66.2 1.0 HB2 B:ALA51 4.7 69.0 1.0 NH1 B:ARG135 4.7 60.8 1.0 HD13 B:ILE118 4.7 68.7 1.0 H B:LYS54 4.7 69.1 1.0 HG13 B:ILE118 4.7 66.2 1.0 HB3 B:ALA51 4.8 69.0 1.0 HE2 B:HIS115 4.8 69.7 1.0 CA B:CYS113 4.8 45.0 1.0 CG1 B:ILE118 4.9 55.2 1.0 CD B:PRO114 4.9 48.3 1.0 HD12 B:ILE118 4.9 68.7 1.0 N B:LYS54 5.0 57.6 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of Ev-D68 2A Protease N84T Mutant


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 Ev-D68 2A Protease N84T Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn201 b:77.8 occ:1.00 ND1 C:HIS115 2.0 59.1 1.0 SG C:CYS53 2.3 81.0 1.0 SG C:CYS113 2.3 64.7 1.0 SG C:CYS55 2.3 67.0 1.0 HB2 C:CYS55 2.7 75.3 1.0 CE1 C:HIS115 2.9 59.8 1.0 HE1 C:HIS115 2.9 71.6 1.0 HB2 C:HIS115 3.1 76.8 1.0 CB C:CYS55 3.1 62.8 1.0 CG C:HIS115 3.2 67.8 1.0 HB2 C:CYS53 3.3 81.8 1.0 CB C:CYS53 3.3 68.2 1.0 HB2 C:CYS113 3.4 71.6 1.0 HB3 C:CYS53 3.4 81.8 1.0 CB C:CYS113 3.5 59.7 1.0 H C:CYS55 3.5 76.5 1.0 H C:HIS115 3.6 69.8 1.0 HB1 C:ALA51 3.6 85.7 1.0 CB C:HIS115 3.6 64.1 1.0 HB3 C:CYS55 3.7 75.3 1.0 HB3 C:CYS113 3.8 71.6 1.0 NE2 C:HIS115 4.0 65.2 1.0 HD2 C:PRO114 4.1 72.7 1.0 N C:CYS55 4.2 63.8 1.0 CD2 C:HIS115 4.2 64.9 1.0 CA C:CYS55 4.2 58.0 1.0 CD1 C:ILE118 4.3 69.7 1.0 HB3 C:HIS115 4.3 76.8 1.0 N C:HIS115 4.3 58.2 1.0 CB C:ALA51 4.4 71.5 1.0 HB2 C:ALA51 4.5 85.7 1.0 HA C:CYS55 4.6 69.5 1.0 CA C:HIS115 4.6 53.9 1.0 HG12 C:ILE118 4.7 84.6 1.0 CA C:CYS53 4.7 61.8 1.0 HB3 C:ALA51 4.7 85.7 1.0 HE2 C:HIS115 4.8 78.2 1.0 CA C:CYS113 4.8 53.8 1.0 HH21 C:ARG135 4.9 90.9 1.0 H C:LYS54 4.9 66.0 1.0 N C:PRO114 5.0 69.8 1.0 CD C:PRO114 5.0 60.6 1.0 C C:CYS113 5.0 62.3 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of Ev-D68 2A Protease N84T Mutant


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 Ev-D68 2A Protease N84T Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:84.8 occ:1.00 ND1 D:HIS115 2.0 45.9 1.0 SG D:CYS113 2.3 79.6 1.0 SG D:CYS53 2.3 81.0 1.0 SG D:CYS55 2.3 67.1 1.0 HB2 D:CYS55 2.7 82.8 1.0 CE1 D:HIS115 2.9 50.8 1.0 HB2 D:HIS115 3.0 82.4 1.0 HE1 D:HIS115 3.0 60.8 1.0 CB D:CYS55 3.1 69.1 1.0 CG D:HIS115 3.1 56.3 1.0 HB2 D:CYS53 3.2 78.1 1.0 CB D:CYS53 3.3 65.2 1.0 HB2 D:CYS113 3.4 82.2 1.0 HB3 D:CYS53 3.4 78.1 1.0 H D:CYS55 3.4 96.4 1.0 H D:HIS115 3.4 79.0 1.0 CB D:CYS113 3.5 68.6 1.0 CB D:HIS115 3.5 68.8 1.0 HD11 D:ILE118 3.7 74.4 1.0 HB3 D:CYS55 3.7 82.8 1.0 HB1 D:ALA51 3.8 90.2 1.0 HB3 D:CYS113 3.8 82.2 1.0 HD2 D:PRO114 3.9 73.2 1.0 NE2 D:HIS115 4.0 59.2 1.0 N D:CYS55 4.1 80.5 1.0 CA D:CYS55 4.2 72.4 1.0 CD2 D:HIS115 4.2 58.5 1.0 N D:HIS115 4.2 66.0 1.0 HB3 D:HIS115 4.2 82.4 1.0 CA D:HIS115 4.5 69.9 1.0 HA D:CYS55 4.6 86.7 1.0 CD1 D:ILE118 4.6 62.1 1.0 CB D:ALA51 4.6 75.3 1.0 CA D:CYS53 4.7 64.9 1.0 HD13 D:ILE118 4.7 74.4 1.0 HB2 D:ALA51 4.7 90.2 1.0 HG12 D:ILE118 4.8 74.4 1.0 CD D:PRO114 4.8 61.1 1.0 CA D:CYS113 4.8 59.5 1.0 HE2 D:HIS115 4.8 70.9 1.0 N D:PRO114 4.8 57.5 1.0 H D:LYS54 4.8 90.5 1.0 C D:CYS113 4.9 55.3 1.0 HE D:ARG135 4.9 88.8 1.0 HB3 D:ALA51 5.0 90.2 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of Ev-D68 2A Protease N84T Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Ev-D68 2A Protease N84T Mutant within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn201 b:90.3 occ:1.00 ND1 F:HIS115 2.1 59.1 1.0 SG F:CYS53 2.3 73.8 1.0 SG F:CYS113 2.3 62.5 1.0 SG F:CYS55 2.3 85.0 1.0 HB2 F:CYS53 2.8 76.7 1.0 HB2 F:CYS55 2.9 86.5 1.0 CB F:CYS53 2.9 64.0 1.0 HB3 F:CYS53 2.9 76.7 1.0 CE1 F:HIS115 2.9 50.4 1.0 HB2 F:HIS115 3.0 64.5 1.0 HE1 F:HIS115 3.1 60.4 1.0 CG F:HIS115 3.2 50.9 1.0 CB F:CYS55 3.2 72.2 1.0 HB2 F:CYS113 3.5 77.8 1.0 H F:CYS55 3.5 90.3 1.0 CB F:CYS113 3.5 64.9 1.0 CB F:HIS115 3.6 53.9 1.0 H F:HIS115 3.6 79.3 1.0 HB1 F:ALA51 3.7 86.7 1.0 HB3 F:CYS55 3.8 86.5 1.0 HD11 F:ILE118 3.8 76.2 1.0 HB3 F:CYS113 3.8 77.8 1.0 NE2 F:HIS115 4.1 46.9 1.0 HD2 F:PRO114 4.1 77.8 1.0 N F:CYS55 4.2 75.3 1.0 CD2 F:HIS115 4.2 49.8 1.0 HB3 F:HIS115 4.2 64.5 1.0 CA F:CYS55 4.3 74.2 1.0 N F:HIS115 4.3 66.2 1.0 CA F:CYS53 4.4 65.0 1.0 CB F:ALA51 4.5 72.4 1.0 HE F:ARG135 4.6 85.6 1.0 CA F:HIS115 4.6 60.2 1.0 HH21 F:ARG135 4.6 97.5 1.0 H F:LYS54 4.6 86.2 1.0 HA F:CYS55 4.7 88.9 1.0 CD1 F:ILE118 4.7 63.6 1.0 HB2 F:ALA51 4.8 86.7 1.0 HB3 F:ALA51 4.8 86.7 1.0 HG13 F:ILE118 4.8 78.2 1.0 HG12 F:ILE118 4.9 78.2 1.0 HE2 F:HIS115 4.9 56.2 1.0 CA F:CYS113 4.9 56.4 1.0 N F:LYS54 4.9 72.0 1.0 HA F:CYS53 4.9 77.9 1.0 C F:CYS53 4.9 66.1 1.0 CD F:PRO114 5.0 64.9 1.0 N F:PRO114 5.0 59.3 1.0

C.Liu, M.-Y.Lee, C.Ma, W.Liu, J.Wang. Crystal Structure of Ev-D68 2A Protease C107A Mutant To Be Published.