Zinc in PDB 4r1l: Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution

The structure of Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution, PDB code: 4r1l 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)	48.78 / 2.42
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.701, 211.141, 71.861, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.3

The structure of Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution also contains other interesting chemical elements:

Potassium

(K)

6 atoms

The binding sites of Zinc atom in the Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution (pdb code 4r1l). 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 Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution, PDB code: 4r1l:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 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 Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:47.4 occ:1.00 NE2 A:HIS258 2.1 39.1 1.0 SG A:CYS315 2.2 46.6 1.0 SG A:CYS251 2.3 46.9 1.0 SG A:CYS313 2.5 54.5 1.0 CD2 A:HIS258 3.0 37.8 1.0 CB A:CYS251 3.1 40.6 1.0 CE1 A:HIS258 3.1 38.8 1.0 CB A:CYS315 3.2 45.4 1.0 CB A:CYS313 3.5 50.4 1.0 CG A:HIS258 4.2 35.8 1.0 ND1 A:HIS258 4.2 38.3 1.0 N A:CYS315 4.2 50.3 1.0 CA A:CYS315 4.2 48.6 1.0 CA A:CYS251 4.5 38.8 1.0 CG A:GLU253 4.5 55.1 1.0 O A:HOH629 4.5 38.5 1.0 CD A:ARG321 4.6 45.5 1.0 NH1 A:ARG317 4.8 39.9 1.0 CB A:GLU253 4.8 47.3 1.0 CA A:CYS313 4.8 52.7 1.0 CB A:ARG317 4.8 37.5 1.0 N A:CYS251 4.9 37.3 1.0 CD A:ARG317 5.0 34.0 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 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 Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:48.8 occ:1.00 NE2 B:HIS258 2.1 50.8 1.0 SG B:CYS315 2.2 60.2 1.0 SG B:CYS251 2.3 55.5 1.0 SG B:CYS313 2.5 65.4 1.0 CD2 B:HIS258 3.0 48.0 1.0 CB B:CYS251 3.1 49.6 1.0 CE1 B:HIS258 3.1 51.0 1.0 CB B:CYS315 3.1 57.0 1.0 CB B:CYS313 3.4 62.5 1.0 N B:CYS315 4.2 60.8 1.0 CG B:HIS258 4.2 46.1 1.0 CA B:CYS315 4.2 59.2 1.0 ND1 B:HIS258 4.2 49.9 1.0 CG B:GLU253 4.5 59.9 1.0 CA B:CYS251 4.5 47.6 1.0 CD B:ARG321 4.6 52.5 1.0 CA B:CYS313 4.7 65.2 1.0 NH1 B:ARG317 4.8 35.5 1.0 CB B:GLU253 4.8 53.9 1.0 CB B:ARG317 4.8 51.1 1.0 O B:HOH634 4.9 38.9 1.0 N B:CYS251 4.9 47.6 1.0 O B:HOH635 4.9 48.0 1.0 C B:CYS313 4.9 66.9 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 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 Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn501 b:65.2 occ:1.00 NE2 C:HIS258 2.1 60.6 1.0 SG C:CYS315 2.2 69.0 1.0 SG C:CYS251 2.3 60.7 1.0 SG C:CYS313 2.5 69.8 1.0 CD2 C:HIS258 3.0 58.6 1.0 CB C:CYS251 3.1 54.0 1.0 CE1 C:HIS258 3.1 61.2 1.0 CB C:CYS315 3.2 66.7 1.0 CB C:CYS313 3.4 68.5 1.0 CG C:HIS258 4.2 56.8 1.0 ND1 C:HIS258 4.2 60.5 1.0 N C:CYS315 4.2 72.6 1.0 CA C:CYS315 4.2 70.5 1.0 O C:HOH692 4.4 41.2 1.0 CA C:CYS251 4.5 51.7 1.0 CG C:GLU253 4.5 68.7 1.0 CD C:ARG321 4.6 72.0 1.0 NH1 C:ARG317 4.8 51.6 1.0 CA C:CYS313 4.8 72.7 1.0 CB C:ARG317 4.8 62.6 1.0 CB C:GLU253 4.8 61.8 1.0 N C:CYS251 4.9 51.1 1.0 C C:CYS315 5.0 77.8 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 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 Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.42 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:47.7 occ:1.00 NE2 D:HIS258 2.0 44.9 1.0 SG D:CYS315 2.2 49.8 1.0 SG D:CYS251 2.4 47.5 1.0 SG D:CYS313 2.5 58.0 1.0 CD2 D:HIS258 3.0 43.0 1.0 CE1 D:HIS258 3.1 45.0 1.0 CB D:CYS251 3.2 41.2 1.0 CB D:CYS315 3.2 47.5 1.0 CB D:CYS313 3.4 55.0 1.0 CG D:HIS258 4.1 41.4 1.0 N D:CYS315 4.2 51.2 1.0 ND1 D:HIS258 4.2 44.7 1.0 CA D:CYS315 4.2 49.8 1.0 CG D:GLU253 4.5 51.9 1.0 CA D:CYS251 4.6 39.0 1.0 O D:HOH639 4.6 33.8 1.0 CD D:ARG321 4.6 49.9 1.0 CA D:CYS313 4.7 58.0 1.0 CB D:ARG317 4.8 40.4 1.0 NH1 D:ARG317 4.8 36.9 1.0 CB D:GLU253 4.9 43.6 1.0 N D:CYS251 4.9 37.4 1.0 C D:CYS313 5.0 58.7 1.0 C D:CYS315 5.0 54.3 1.0

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