Zinc in PDB 4r1m: Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution

The structure of Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution, PDB code: 4r1m 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)	48.89 / 2.48
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.060, 211.870, 72.250, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20

The structure of Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	4 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 2.48 A Resolution (pdb code 4r1m). 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 2.48 A Resolution, PDB code: 4r1m:
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 2.48 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 2.48 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:52.2 occ:1.00 NE2 A:HIS258 2.1 50.5 1.0 SG A:CYS315 2.2 55.2 1.0 SG A:CYS251 2.3 50.5 1.0 SG A:CYS313 2.3 58.3 1.0 CD2 A:HIS258 3.1 48.8 1.0 CE1 A:HIS258 3.1 50.7 1.0 CB A:CYS251 3.2 45.3 1.0 CB A:CYS315 3.2 53.5 1.0 CB A:CYS313 3.4 54.9 1.0 N A:CYS315 4.2 57.0 1.0 CG A:HIS258 4.2 47.1 1.0 ND1 A:HIS258 4.2 50.2 1.0 CA A:CYS315 4.2 56.3 1.0 O A:HOH618 4.5 41.8 1.0 CA A:CYS251 4.6 44.8 1.0 CD A:ARG321 4.6 48.0 1.0 CG A:GLU253 4.7 54.4 1.0 CA A:CYS313 4.7 56.8 1.0 NH1 A:ARG317 4.8 51.4 1.0 CB A:ARG317 4.8 49.0 1.0 CB A:GLU253 4.9 50.7 1.0 N A:CYS251 4.9 44.4 1.0 C A:CYS313 5.0 61.5 1.0 C A:CYS315 5.0 62.8 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 2.48 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 2.48 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:55.7 occ:1.00 NE2 B:HIS258 2.2 60.5 1.0 SG B:CYS251 2.2 59.6 1.0 SG B:CYS313 2.3 73.9 1.0 SG B:CYS315 2.3 66.8 1.0 CD2 B:HIS258 3.1 57.8 1.0 CB B:CYS315 3.1 64.5 1.0 CB B:CYS251 3.2 53.8 1.0 CE1 B:HIS258 3.2 60.9 1.0 CB B:CYS313 3.3 71.8 1.0 N B:CYS315 4.1 70.2 1.0 CA B:CYS315 4.2 67.6 1.0 CG B:HIS258 4.3 55.9 1.0 ND1 B:HIS258 4.3 59.8 1.0 CG B:GLU253 4.6 67.3 1.0 CA B:CYS251 4.6 52.3 1.0 CA B:CYS313 4.7 75.1 1.0 CD B:ARG321 4.7 64.8 1.0 CB B:GLU253 4.8 59.2 1.0 NH1 B:ARG317 4.8 54.3 1.0 C B:CYS313 4.9 78.7 1.0 CB B:ARG317 4.9 58.0 1.0 N B:CYS251 4.9 52.5 1.0 C B:CYS315 5.0 71.8 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 2.48 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 2.48 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn501 b:66.4 occ:1.00 NE2 C:HIS258 2.0 69.2 1.0 SG C:CYS315 2.2 70.6 1.0 SG C:CYS313 2.4 75.9 1.0 SG C:CYS251 2.4 60.6 1.0 CE1 C:HIS258 3.0 69.5 1.0 CD2 C:HIS258 3.0 66.7 1.0 CB C:CYS315 3.2 69.1 1.0 CB C:CYS251 3.3 55.2 1.0 CB C:CYS313 3.3 73.7 1.0 CG C:HIS258 4.2 64.1 1.0 ND1 C:HIS258 4.2 68.1 1.0 N C:CYS315 4.2 74.0 1.0 CA C:CYS315 4.2 72.8 1.0 CD C:ARG321 4.6 65.9 1.0 CA C:CYS251 4.7 54.4 1.0 CA C:CYS313 4.7 77.2 1.0 CG C:GLU253 4.7 76.1 1.0 CB C:ARG317 4.8 62.8 1.0 NH1 C:ARG317 4.8 56.2 1.0 C C:CYS313 4.9 82.8 1.0 CB C:GLU253 4.9 67.6 1.0 C C:CYS315 5.0 80.4 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 2.48 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 2.48 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:56.0 occ:1.00 NE2 D:HIS258 2.0 56.0 1.0 SG D:CYS315 2.2 59.8 1.0 SG D:CYS251 2.3 56.8 1.0 SG D:CYS313 2.4 66.8 1.0 CD2 D:HIS258 3.0 53.5 1.0 CE1 D:HIS258 3.0 55.8 1.0 CB D:CYS251 3.2 51.0 1.0 CB D:CYS315 3.2 57.6 1.0 CB D:CYS313 3.4 63.6 1.0 CG D:HIS258 4.1 51.7 1.0 N D:CYS315 4.2 61.5 1.0 ND1 D:HIS258 4.2 54.7 1.0 CA D:CYS315 4.2 60.1 1.0 CA D:CYS251 4.6 49.7 1.0 O D:HOH625 4.6 46.6 1.0 CD D:ARG321 4.7 52.3 1.0 CG D:GLU253 4.7 65.6 1.0 CA D:CYS313 4.7 66.0 1.0 NH1 D:ARG317 4.7 56.6 1.0 CB D:ARG317 4.8 49.9 1.0 CB D:GLU253 4.9 57.4 1.0 N D:CYS251 4.9 48.7 1.0 CD D:ARG317 5.0 57.2 1.0 C D:CYS313 5.0 68.5 1.0 C D:CYS315 5.0 64.4 1.0

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