Zinc in PDB 4rvo: Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution

The structure of Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution, PDB code: 4rvo was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.57 / 2.41
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.237, 210.223, 71.504, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.4

The structure of Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution also contains other interesting chemical elements:

Potassium

(K)

6 atoms

The binding sites of Zinc atom in the Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution (pdb code 4rvo). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution, PDB code: 4rvo:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution


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 A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:42.8 occ:1.00 NE2 A:HIS258 2.0 47.5 1.0 SG A:CYS315 2.2 45.5 1.0 SG A:CYS251 2.4 47.4 1.0 SG A:CYS313 2.5 54.8 1.0 CD2 A:HIS258 3.0 46.4 1.0 CE1 A:HIS258 3.0 47.2 1.0 CB A:CYS251 3.1 42.2 1.0 CB A:CYS315 3.2 43.8 1.0 CB A:CYS313 3.4 51.2 1.0 CG A:HIS258 4.1 43.7 1.0 ND1 A:HIS258 4.2 46.4 1.0 N A:CYS315 4.3 47.9 1.0 CA A:CYS315 4.3 46.3 1.0 O A:HOH629 4.5 29.6 1.0 O A:HOH717 4.5 38.5 1.0 CA A:CYS251 4.6 41.8 1.0 CD A:ARG321 4.6 39.7 1.0 CG A:GLU253 4.7 57.8 1.0 NH1 A:ARG317 4.7 42.3 1.0 CB A:ARG317 4.8 40.2 1.0 CA A:CYS313 4.8 53.2 1.0 N A:CYS251 4.9 41.8 1.0 CB A:GLU253 4.9 50.2 1.0 CD A:ARG317 4.9 45.8 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution


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 A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:39.2 occ:1.00 NE2 B:HIS258 2.1 50.8 1.0 SG B:CYS315 2.2 57.6 1.0 SG B:CYS251 2.3 46.7 1.0 SG B:CYS313 2.5 59.6 1.0 CD2 B:HIS258 3.0 49.1 1.0 CB B:CYS251 3.1 40.8 1.0 CE1 B:HIS258 3.1 50.9 1.0 CB B:CYS315 3.2 55.0 1.0 CB B:CYS313 3.5 57.1 1.0 CG B:HIS258 4.2 46.7 1.0 ND1 B:HIS258 4.2 50.0 1.0 N B:CYS315 4.3 58.6 1.0 CA B:CYS315 4.3 57.1 1.0 CA B:CYS251 4.5 39.5 1.0 O B:HOH633 4.5 31.5 1.0 CG B:GLU253 4.6 57.3 1.0 CD B:ARG321 4.7 50.9 1.0 NH1 B:ARG317 4.7 35.9 1.0 CB B:ARG317 4.8 47.5 1.0 CA B:CYS313 4.8 59.9 1.0 N B:CYS251 4.8 39.3 1.0 CB B:GLU253 4.8 48.6 1.0 CD B:ARG317 4.9 52.4 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution


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 A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn501 b:58.1 occ:1.00 NE2 C:HIS258 2.0 62.2 1.0 SG C:CYS315 2.2 64.4 1.0 SG C:CYS251 2.4 54.5 1.0 SG C:CYS313 2.5 65.2 1.0 CD2 C:HIS258 3.0 60.1 1.0 CE1 C:HIS258 3.0 62.4 1.0 CB C:CYS251 3.2 49.0 1.0 CB C:CYS315 3.2 62.3 1.0 CB C:CYS313 3.4 63.0 1.0 CG C:HIS258 4.1 57.6 1.0 ND1 C:HIS258 4.1 61.2 1.0 O C:HOH683 4.2 40.7 1.0 N C:CYS315 4.3 66.4 1.0 CA C:CYS315 4.3 65.2 1.0 CA C:CYS251 4.6 47.6 1.0 CD C:ARG321 4.6 65.7 1.0 CG C:GLU253 4.7 71.4 1.0 CB C:ARG317 4.8 60.1 1.0 NH1 C:ARG317 4.8 47.5 1.0 CA C:CYS313 4.8 66.1 1.0 N C:CYS251 4.9 47.1 1.0 CB C:GLU253 4.9 59.5 1.0 CD C:ARG317 4.9 55.5 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution


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 A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.41 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn502 b:40.9 occ:1.00 NE2 D:HIS258 2.0 47.7 1.0 SG D:CYS315 2.3 50.6 1.0 SG D:CYS313 2.4 54.8 1.0 SG D:CYS251 2.4 47.5 1.0 CD2 D:HIS258 3.0 46.7 1.0 CE1 D:HIS258 3.0 47.4 1.0 CB D:CYS251 3.2 42.1 1.0 CB D:CYS315 3.3 48.3 1.0 CB D:CYS313 3.3 51.4 1.0 CG D:HIS258 4.1 44.4 1.0 ND1 D:HIS258 4.2 47.1 1.0 N D:CYS315 4.3 51.4 1.0 CA D:CYS315 4.3 50.3 1.0 CD D:ARG321 4.5 41.5 1.0 O D:HOH637 4.5 31.7 1.0 CG D:GLU253 4.6 55.2 1.0 CA D:CYS251 4.6 40.9 1.0 CA D:CYS313 4.7 53.4 1.0 CB D:GLU253 4.8 47.6 1.0 NH1 D:ARG317 4.8 38.5 1.0 CB D:ARG317 4.9 45.5 1.0 N D:CYS251 4.9 40.2 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.