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Zinc in PDB 4wec: Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis

Protein crystallography data

The structure of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis, PDB code: 4wec was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.33 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 68.900, 96.640, 81.540, 90.00, 101.94, 90.00
R / Rfree (%) 16.5 / 19.6

Other elements in 4wec:

The structure of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis (pdb code 4wec). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis, PDB code: 4wec:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4wec

Go back to Zinc Binding Sites List in 4wec
Zinc binding site 1 out of 2 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis


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 Short Chain Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:18.1
occ:0.75
O A:HOH636 2.1 14.2 1.0
ND1 A:HIS211 2.1 18.1 1.0
O D:HOH543 2.1 15.6 1.0
O D:HOH542 2.2 18.3 1.0
ND1 D:HIS211 2.2 19.8 1.0
O A:HOH635 2.2 17.2 1.0
CE1 A:HIS211 3.0 24.0 1.0
CE1 D:HIS211 3.0 20.9 1.0
CG A:HIS211 3.2 17.8 1.0
CG D:HIS211 3.3 20.2 1.0
CB A:HIS211 3.6 19.7 1.0
CB D:HIS211 3.7 20.0 1.0
O A:HOH498 3.7 18.6 1.0
O D:HOH442 3.8 19.9 1.0
O A:TYR253 4.0 20.3 1.0
O A:ALA252 4.1 19.5 1.0
O D:ALA252 4.1 18.2 1.0
O D:TYR253 4.1 17.2 1.0
CA A:HIS211 4.1 19.3 1.0
NE2 A:HIS211 4.1 25.2 1.0
CA D:HIS211 4.1 21.0 1.0
NE2 D:HIS211 4.2 24.6 1.0
CD2 A:HIS211 4.3 19.7 1.0
CD2 D:HIS211 4.3 21.6 1.0
C A:TYR253 4.9 18.3 1.0
C D:TYR253 4.9 16.8 1.0
O A:VAL210 4.9 21.9 1.0
O D:VAL210 5.0 20.3 1.0
O D:HIS211 5.0 20.7 1.0

Zinc binding site 2 out of 2 in 4wec

Go back to Zinc Binding Sites List in 4wec
Zinc binding site 2 out of 2 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis


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 Short Chain Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn304

b:18.2
occ:0.69
O B:HOH584 2.1 19.5 1.0
O C:HOH554 2.1 16.2 1.0
O B:HOH586 2.1 19.8 1.0
O C:HOH553 2.2 18.3 1.0
ND1 C:HIS211 2.2 21.3 1.0
ND1 B:HIS211 2.2 17.8 1.0
CE1 B:HIS211 3.0 17.4 1.0
CE1 C:HIS211 3.0 21.6 1.0
CG C:HIS211 3.3 17.8 1.0
CG B:HIS211 3.3 20.6 1.0
CB C:HIS211 3.7 15.1 1.0
O C:HOH555 3.7 20.1 1.0
O B:HOH585 3.7 19.1 1.0
CB B:HIS211 3.8 18.9 1.0
O B:TYR253 4.0 21.9 1.0
O B:ALA252 4.1 18.4 1.0
O C:TYR253 4.1 20.6 1.0
O C:ALA252 4.1 15.6 1.0
CA C:HIS211 4.1 17.0 1.0
CA B:HIS211 4.2 16.6 1.0
NE2 C:HIS211 4.2 21.2 1.0
NE2 B:HIS211 4.2 20.4 1.0
CD2 C:HIS211 4.3 16.6 1.0
CD2 B:HIS211 4.4 21.5 1.0
C B:TYR253 4.9 18.4 1.0
O C:HIS211 4.9 17.3 1.0
C C:TYR253 4.9 17.1 1.0
O C:VAL210 5.0 20.1 1.0
O B:HIS211 5.0 16.7 1.0
O B:VAL210 5.0 22.0 1.0
C B:ALA252 5.0 18.2 1.0

Reference:

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), J.Abendroth, B.Sankaran, D.M.Dranow, D.Lorimer, T.E.Edwards. Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis To Be Published.
Page generated: Wed Dec 16 05:50:56 2020

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