Zinc in PDB 7jre: Crystal Structure of Ev-D68 2A Protease C107A Mutant

All present enzymatic activity of Crystal Structure of Ev-D68 2A Protease C107A Mutant:
3.4.22.29;

The structure of Crystal Structure of Ev-D68 2A Protease C107A Mutant, PDB code: 7jre 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)	47.76 / 2.50
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	118.772, 118.772, 80.38, 90, 90, 90
R / Rfree (%)	21.9 / 23.9

The binding sites of Zinc atom in the Crystal Structure of Ev-D68 2A Protease C107A Mutant (pdb code 7jre). 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 C107A Mutant, PDB code: 7jre:
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 C107A 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 C107A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:55.0 occ:1.00 ND1 A:HIS115 2.0 57.9 1.0 SG A:CYS113 2.3 41.8 1.0 SG A:CYS53 2.3 52.5 1.0 SG A:CYS55 2.3 53.0 1.0 HB2 A:CYS55 2.5 55.9 1.0 CE1 A:HIS115 2.8 54.4 1.0 CG A:HIS115 2.9 48.8 1.0 HB2 A:HIS115 2.9 65.0 1.0 CB A:CYS55 2.9 46.6 1.0 HE1 A:HIS115 3.0 65.2 1.0 HB2 A:CYS53 3.1 58.8 1.0 CB A:CYS53 3.2 49.0 1.0 HB3 A:CYS53 3.2 58.8 1.0 H A:CYS55 3.3 55.9 1.0 H A:HIS115 3.4 55.7 1.0 HB2 A:CYS113 3.4 51.0 1.0 CB A:HIS115 3.4 54.2 1.0 CB A:CYS113 3.5 42.5 1.0 HB3 A:CYS55 3.6 55.9 1.0 HB1 A:ALA51 3.7 55.3 1.0 NE2 A:HIS115 3.8 55.5 1.0 HD11 A:ILE118 3.8 50.4 1.0 CD2 A:HIS115 3.8 51.8 1.0 HB3 A:CYS113 3.9 51.0 1.0 HG B:SER68 4.0 55.5 1.0 N A:CYS55 4.0 46.6 1.0 CA A:CYS55 4.0 47.2 1.0 N A:HIS115 4.1 46.5 1.0 HB3 A:HIS115 4.1 65.0 1.0 HD2 A:PRO114 4.2 60.2 1.0 CA A:HIS115 4.4 50.0 1.0 HE2 A:HIS115 4.5 66.6 1.0 HA A:CYS55 4.5 56.6 1.0 H A:LYS54 4.5 57.1 1.0 CB A:ALA51 4.6 46.1 1.0 CA A:CYS53 4.6 44.8 1.0 HG12 A:ILE118 4.6 58.8 1.0 HG13 A:ILE118 4.6 58.8 1.0 HB2 A:ALA51 4.7 55.3 1.0 HD2 A:HIS115 4.7 62.2 1.0 OG B:SER68 4.7 46.2 1.0 CD1 A:ILE118 4.7 42.0 1.0 HH11 A:ARG135 4.7 61.8 1.0 CA A:CYS113 4.8 49.8 1.0 N A:LYS54 4.8 47.6 1.0 HB3 A:ALA51 4.8 55.3 1.0 N A:PRO114 4.9 56.1 1.0 C A:CYS113 4.9 56.1 1.0 CG1 A:ILE118 4.9 49.0 1.0 H A:GLY116 4.9 62.4 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of Ev-D68 2A Protease C107A 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 C107A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:54.8 occ:1.00 ND1 B:HIS115 2.0 51.5 1.0 SG B:CYS53 2.3 51.4 1.0 SG B:CYS113 2.3 42.9 1.0 SG B:CYS55 2.3 49.8 1.0 CE1 B:HIS115 2.8 45.9 1.0 HB2 B:CYS55 2.8 57.5 1.0 HE1 B:HIS115 2.9 55.0 1.0 HB2 B:CYS53 3.1 67.5 1.0 CB B:CYS53 3.1 56.3 1.0 HB2 B:HIS115 3.1 69.9 1.0 HB3 B:CYS53 3.1 67.5 1.0 CB B:CYS55 3.2 47.9 1.0 CG B:HIS115 3.2 48.4 1.0 HB2 B:CYS113 3.5 57.0 1.0 H B:HIS115 3.5 54.4 1.0 CB B:CYS113 3.6 47.5 1.0 HD11 B:ILE118 3.7 73.2 1.0 CB B:HIS115 3.7 58.3 1.0 H B:CYS55 3.7 60.4 1.0 HB3 B:CYS55 3.8 57.5 1.0 HB3 B:CYS113 3.9 57.0 1.0 HB1 B:ALA51 3.9 55.8 1.0 NE2 B:HIS115 4.0 48.3 1.0 HD2 B:PRO114 4.1 65.0 1.0 CD2 B:HIS115 4.2 44.1 1.0 N B:HIS115 4.3 45.4 1.0 CA B:CYS55 4.3 47.0 1.0 N B:CYS55 4.3 50.3 1.0 HB3 B:HIS115 4.4 69.9 1.0 OG A:SER68 4.5 58.8 1.0 HG A:SER68 4.5 70.5 1.0 CA B:CYS53 4.6 48.3 1.0 CA B:HIS115 4.6 45.7 1.0 CD1 B:ILE118 4.6 61.0 1.0 HH11 B:ARG135 4.6 76.4 1.0 HA B:CYS55 4.7 56.3 1.0 CB B:ALA51 4.7 46.5 1.0 HB2 B:ALA51 4.8 55.8 1.0 HE2 B:HIS115 4.8 57.9 1.0 HG12 B:ILE118 4.8 65.6 1.0 H B:CYS53 4.9 63.6 1.0 CA B:CYS113 4.9 44.2 1.0 CD B:PRO114 4.9 54.2 1.0 N B:PRO114 4.9 62.4 1.0 HG13 B:ILE118 5.0 65.6 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of Ev-D68 2A Protease C107A 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 C107A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn201 b:74.7 occ:1.00 ND1 C:HIS115 2.0 54.2 1.0 SG C:CYS53 2.3 65.5 1.0 SG C:CYS113 2.3 68.4 1.0 SG C:CYS55 2.3 76.0 1.0 HB2 C:CYS55 2.9 77.7 1.0 HB2 C:CYS53 2.9 72.5 1.0 CE1 C:HIS115 2.9 59.2 1.0 HB3 C:CYS53 2.9 72.5 1.0 CB C:CYS53 2.9 60.4 1.0 HB2 C:HIS115 3.0 67.2 1.0 HE1 C:HIS115 3.0 71.1 1.0 CG C:HIS115 3.1 56.1 1.0 CB C:CYS55 3.2 64.7 1.0 H C:HIS115 3.5 73.8 1.0 HG D:SER68 3.5 90.4 1.0 CB C:HIS115 3.5 56.0 1.0 H C:CYS55 3.5 88.8 1.0 HB2 C:CYS113 3.6 78.7 1.0 CB C:CYS113 3.6 65.6 1.0 HB3 C:CYS55 3.8 77.7 1.0 HD11 C:ILE118 3.8 74.4 1.0 HB1 C:ALA51 3.9 85.6 1.0 HD2 C:PRO114 4.0 70.3 1.0 HB3 C:CYS113 4.0 78.7 1.0 NE2 C:HIS115 4.0 55.8 1.0 CD2 C:HIS115 4.2 52.0 1.0 N C:HIS115 4.2 61.5 1.0 N C:CYS55 4.2 74.0 1.0 HB3 C:HIS115 4.2 67.2 1.0 OG D:SER68 4.3 75.3 1.0 HH11 C:ARG135 4.3 78.4 1.0 CA C:CYS55 4.3 65.8 1.0 CA C:CYS53 4.4 61.9 1.0 CA C:HIS115 4.5 53.5 1.0 H C:CYS53 4.6 80.9 1.0 CB C:ALA51 4.6 71.3 1.0 CD1 C:ILE118 4.7 62.0 1.0 HB2 C:ALA51 4.7 85.6 1.0 HA C:CYS55 4.7 78.9 1.0 HG12 C:ILE118 4.7 71.1 1.0 HH12 C:ARG135 4.8 78.4 1.0 H C:LYS54 4.8 70.8 1.0 HD13 C:ILE118 4.8 74.4 1.0 HE2 C:HIS115 4.8 66.9 1.0 CD C:PRO114 4.8 58.6 1.0 NH1 C:ARG135 4.8 65.4 1.0 N C:PRO114 4.9 54.9 1.0 HB3 C:ALA51 4.9 85.6 1.0 CA C:CYS113 4.9 59.2 1.0 HA C:CYS53 4.9 74.2 1.0 N C:CYS53 5.0 67.4 1.0 C C:CYS113 5.0 58.1 1.0 C C:CYS53 5.0 63.0 1.0 N C:LYS54 5.0 59.0 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of Ev-D68 2A Protease C107A 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 C107A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:64.4 occ:1.00 ND1 D:HIS115 2.0 49.9 1.0 SG D:CYS113 2.3 67.7 1.0 SG D:CYS53 2.3 76.6 1.0 SG D:CYS55 2.3 67.8 1.0 HB2 D:CYS55 2.6 85.3 1.0 CE1 D:HIS115 2.7 49.5 1.0 HE1 D:HIS115 2.8 59.5 1.0 CB D:CYS55 3.0 71.1 1.0 CG D:HIS115 3.1 53.9 1.0 HB2 D:HIS115 3.2 72.5 1.0 HB2 D:CYS53 3.3 84.6 1.0 CB D:CYS53 3.3 70.5 1.0 HB2 D:CYS113 3.4 81.9 1.0 H D:CYS55 3.4 86.3 1.0 CB D:CYS113 3.5 68.3 1.0 HB3 D:CYS53 3.5 84.6 1.0 HB3 D:CYS55 3.6 85.3 1.0 H D:HIS115 3.6 77.1 1.0 HD11 D:ILE118 3.7 72.4 1.0 CB D:HIS115 3.7 60.5 1.0 HB1 D:ALA51 3.8 81.0 1.0 HB3 D:CYS113 3.8 81.9 1.0 NE2 D:HIS115 3.9 50.7 1.0 HG C:SER68 4.0 86.3 1.0 HD2 D:PRO114 4.0 66.8 1.0 CD2 D:HIS115 4.1 53.5 1.0 N D:CYS55 4.1 71.9 1.0 CA D:CYS55 4.1 66.7 1.0 HB3 D:HIS115 4.3 72.5 1.0 N D:HIS115 4.4 64.2 1.0 CD1 D:ILE118 4.5 60.3 1.0 HD13 D:ILE118 4.5 72.4 1.0 HA D:CYS55 4.6 80.1 1.0 HG12 D:ILE118 4.6 67.7 1.0 HE2 D:HIS115 4.6 60.8 1.0 CB D:ALA51 4.6 67.5 1.0 HB2 D:ALA51 4.7 81.0 1.0 CA D:HIS115 4.7 55.0 1.0 CA D:CYS53 4.8 76.4 1.0 OG C:SER68 4.8 72.0 1.0 H D:LYS54 4.8 87.5 1.0 CA D:CYS113 4.8 58.1 1.0 HB3 D:ALA51 4.9 81.0 1.0 CD D:PRO114 4.9 55.7 1.0 HD2 D:HIS115 4.9 64.2 1.0 CG1 D:ILE118 5.0 56.4 1.0 HG13 D:ILE118 5.0 67.7 1.0 N D:PRO114 5.0 55.2 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of Ev-D68 2A Protease C107A 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 C107A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn201 b:59.7 occ:1.00 ND1 E:HIS115 2.0 60.8 1.0 SG E:CYS53 2.3 61.6 1.0 SG E:CYS113 2.3 53.6 1.0 SG E:CYS55 2.3 61.5 1.0 HB2 E:CYS55 2.8 69.6 1.0 HB2 E:HIS115 2.9 66.5 1.0 CE1 E:HIS115 2.9 53.3 1.0 CG E:HIS115 3.0 55.9 1.0 HE1 E:HIS115 3.1 64.0 1.0 CB E:CYS55 3.1 58.0 1.0 HB2 E:CYS53 3.2 67.1 1.0 CB E:CYS53 3.2 55.9 1.0 H E:HIS115 3.3 60.5 1.0 HB3 E:CYS53 3.4 67.1 1.0 CB E:HIS115 3.4 55.4 1.0 HB2 E:CYS113 3.4 62.9 1.0 CB E:CYS113 3.5 52.4 1.0 HG F:SER68 3.6 66.7 1.0 H E:CYS55 3.7 67.1 1.0 HB1 E:ALA51 3.7 57.5 1.0 HB3 E:CYS55 3.7 69.6 1.0 HD11 E:ILE118 3.7 73.9 1.0 HD2 E:PRO114 3.9 64.9 1.0 HB3 E:CYS113 4.0 62.9 1.0 N E:HIS115 4.0 50.4 1.0 NE2 E:HIS115 4.0 52.8 1.0 CD2 E:HIS115 4.1 51.1 1.0 HH21 E:ARG135 4.1 86.5 1.0 HB3 E:HIS115 4.2 66.5 1.0 OG F:SER68 4.3 55.5 1.0 CA E:CYS55 4.3 53.1 1.0 N E:CYS55 4.3 55.9 1.0 CA E:HIS115 4.3 52.2 1.0 CB E:ALA51 4.6 47.9 1.0 HA E:CYS55 4.6 63.7 1.0 CA E:CYS53 4.7 49.1 1.0 CD1 E:ILE118 4.7 61.6 1.0 HG12 E:ILE118 4.7 65.9 1.0 CD E:PRO114 4.7 54.0 1.0 HB2 E:ALA51 4.7 57.5 1.0 N E:PRO114 4.7 58.6 1.0 HE2 E:HIS115 4.8 63.4 1.0 CA E:CYS113 4.8 53.3 1.0 C E:CYS113 4.9 55.7 1.0 NH2 E:ARG135 4.9 72.1 1.0 HD2 E:HIS115 5.0 61.4 1.0 HB3 E:ALA51 5.0 57.5 1.0 HG13 E:ILE118 5.0 65.9 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of Ev-D68 2A Protease C107A 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 C107A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn201 b:58.8 occ:1.00 ND1 F:HIS115 2.0 69.3 1.0 SG F:CYS53 2.3 55.2 1.0 SG F:CYS113 2.3 54.1 1.0 SG F:CYS55 2.3 50.8 1.0 HB2 F:CYS55 2.6 66.9 1.0 CE1 F:HIS115 2.8 58.2 1.0 HE1 F:HIS115 2.9 69.9 1.0 CB F:CYS55 3.0 55.7 1.0 HB2 F:CYS53 3.1 68.2 1.0 HB2 F:HIS115 3.1 75.6 1.0 CB F:CYS53 3.1 56.9 1.0 CG F:HIS115 3.1 59.9 1.0 HB3 F:CYS53 3.2 68.2 1.0 H F:CYS55 3.5 67.8 1.0 HB2 F:CYS113 3.5 68.9 1.0 HG E:SER68 3.6 77.5 1.0 CB F:CYS113 3.6 57.4 1.0 H F:HIS115 3.6 67.2 1.0 HB3 F:CYS55 3.6 66.9 1.0 CB F:HIS115 3.6 63.0 1.0 HD11 F:ILE118 3.7 71.0 1.0 HB3 F:CYS113 3.9 68.9 1.0 NE2 F:HIS115 4.0 51.6 1.0 HB1 F:ALA51 4.0 70.8 1.0 N F:CYS55 4.1 56.5 1.0 CD2 F:HIS115 4.1 53.3 1.0 CA F:CYS55 4.2 57.9 1.0 HD2 F:PRO114 4.2 63.4 1.0 OG E:SER68 4.3 64.6 1.0 HB3 F:HIS115 4.3 75.6 1.0 N F:HIS115 4.4 56.0 1.0 CD1 F:ILE118 4.5 59.2 1.0 CA F:CYS53 4.5 52.5 1.0 HA F:CYS55 4.6 69.5 1.0 CA F:HIS115 4.6 54.4 1.0 HG12 F:ILE118 4.7 65.8 1.0 HE2 F:HIS115 4.7 62.0 1.0 H F:CYS53 4.8 66.8 1.0 HD13 F:ILE118 4.8 71.0 1.0 CB F:ALA51 4.8 59.0 1.0 HH11 F:ARG135 4.8 65.5 1.0 HB2 F:ALA51 4.8 70.8 1.0 H F:LYS54 4.9 71.7 1.0 CA F:CYS113 4.9 54.3 1.0 O F:HOH306 5.0 39.4 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.