Zinc in PDB 4rvn: Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution

The structure of Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution, PDB code: 4rvn 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)	47.78 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.780, 211.300, 71.980, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 21.9

The structure of Crystal Structure of A Putative Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 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 2.20 A Resolution (pdb code 4rvn). 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 2.20 A Resolution, PDB code: 4rvn:
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 2.20 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 2.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:43.8 occ:1.00 NE2 A:HIS258 2.0 41.7 1.0 SG A:CYS315 2.2 47.2 1.0 SG A:CYS251 2.2 45.1 1.0 SG A:CYS313 2.4 54.8 1.0 CE1 A:HIS258 2.9 41.3 1.0 CD2 A:HIS258 3.0 40.4 1.0 CB A:CYS251 3.1 39.6 1.0 CB A:CYS315 3.3 45.9 1.0 CB A:CYS313 3.4 50.9 1.0 ND1 A:HIS258 4.0 40.6 1.0 CG A:HIS258 4.1 38.2 1.0 N A:CYS315 4.3 49.6 1.0 CA A:CYS315 4.3 48.3 1.0 CA A:CYS251 4.5 38.3 1.0 O A:HOH631 4.5 28.7 1.0 CG A:GLU253 4.6 58.8 1.0 CD A:ARG321 4.6 44.7 1.0 CA A:CYS313 4.8 52.8 1.0 O A:HOH784 4.8 23.5 0.5 NH1 A:ARG317 4.8 44.3 1.0 CB A:ARG317 4.8 40.5 1.0 CB A:GLU253 4.8 48.9 1.0 N A:CYS251 4.9 37.0 1.0 CD A:ARG317 4.9 44.0 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 2.20 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 2.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:47.6 occ:1.00 NE2 B:HIS258 2.0 53.8 1.0 SG B:CYS315 2.2 63.1 1.0 SG B:CYS251 2.3 57.3 1.0 SG B:CYS313 2.4 65.0 1.0 CD2 B:HIS258 3.0 51.6 1.0 CE1 B:HIS258 3.0 53.9 1.0 CB B:CYS251 3.1 50.8 1.0 CB B:CYS315 3.2 60.7 1.0 CB B:CYS313 3.3 62.4 1.0 CG B:HIS258 4.1 49.4 1.0 ND1 B:HIS258 4.2 52.7 1.0 N B:CYS315 4.2 64.8 1.0 CA B:CYS315 4.3 63.3 1.0 CA B:CYS251 4.6 48.5 1.0 CG B:GLU253 4.6 64.6 1.0 CD B:ARG321 4.7 55.6 1.0 CA B:CYS313 4.7 65.3 1.0 CB B:ARG317 4.8 53.8 1.0 NH1 B:ARG317 4.8 49.4 1.0 O B:HOH633 4.9 43.6 1.0 O B:HOH632 4.9 36.6 1.0 CB B:GLU253 4.9 57.2 1.0 CD B:ARG317 4.9 49.1 1.0 C B:CYS313 4.9 68.6 1.0 N B:CYS251 4.9 47.6 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 2.20 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 2.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn501 b:57.4 occ:1.00 NE2 C:HIS258 2.0 60.8 1.0 SG C:CYS315 2.2 65.0 1.0 SG C:CYS251 2.3 60.5 1.0 SG C:CYS313 2.5 68.3 1.0 CD2 C:HIS258 2.9 58.8 1.0 CE1 C:HIS258 3.1 61.4 1.0 CB C:CYS251 3.1 54.1 1.0 CB C:CYS315 3.2 63.1 1.0 CB C:CYS313 3.4 66.3 1.0 CG C:HIS258 4.1 56.9 1.0 ND1 C:HIS258 4.1 60.6 1.0 N C:CYS315 4.3 68.8 1.0 CA C:CYS315 4.3 66.7 1.0 CA C:CYS251 4.5 51.9 1.0 CG C:GLU253 4.6 73.6 1.0 O C:HOH702 4.7 49.9 1.0 CD C:ARG321 4.7 78.3 1.0 CB C:ARG317 4.8 62.4 1.0 CA C:CYS313 4.8 69.8 1.0 NH1 C:ARG317 4.8 50.7 1.0 N C:CYS251 4.9 51.2 1.0 CB C:GLU253 4.9 63.0 1.0 CD C:ARG317 4.9 59.1 1.0 C C:CYS313 5.0 75.3 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 2.20 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 2.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:48.2 occ:1.00 NE2 D:HIS258 2.0 47.7 1.0 SG D:CYS315 2.2 54.2 1.0 SG D:CYS251 2.3 45.3 1.0 SG D:CYS313 2.4 54.1 1.0 CD2 D:HIS258 2.9 46.2 1.0 CE1 D:HIS258 3.1 47.5 1.0 CB D:CYS251 3.2 39.5 1.0 CB D:CYS315 3.3 52.0 1.0 CB D:CYS313 3.3 51.2 1.0 CG D:HIS258 4.1 44.2 1.0 ND1 D:HIS258 4.2 47.1 1.0 N D:CYS315 4.3 55.1 1.0 CA D:CYS315 4.3 53.9 1.0 O D:HOH645 4.6 39.0 1.0 CG D:GLU253 4.6 57.7 1.0 CA D:CYS251 4.6 38.1 1.0 CD D:ARG321 4.6 49.0 1.0 CA D:CYS313 4.7 54.0 1.0 CB D:ARG317 4.8 43.9 1.0 NH1 D:ARG317 4.8 38.5 1.0 CB D:GLU253 4.9 47.8 1.0 C D:CYS313 4.9 58.5 1.0 N D:CYS251 4.9 37.3 1.0 CD D:ARG317 5.0 44.1 1.0

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