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Zinc in PDB 3hlp: Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes

Protein crystallography data

The structure of Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes, PDB code: 3hlp was solved by D.Fernandez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.97 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.790, 59.933, 72.457, 90.00, 99.47, 90.00
R / Rfree (%) 15.8 / 18.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes (pdb code 3hlp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes, PDB code: 3hlp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3hlp

Go back to Zinc Binding Sites List in 3hlp
Zinc binding site 1 out of 2 in the Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:5.8
occ:1.00
O A:HOH313 2.0 7.9 1.0
ND1 A:HIS196 2.1 5.3 1.0
ND1 A:HIS69 2.1 5.8 1.0
OE1 A:GLU72 2.1 5.4 1.0
OE2 A:GLU72 2.4 5.6 1.0
CD A:GLU72 2.6 4.4 1.0
CE1 A:HIS69 3.0 5.2 1.0
CE1 A:HIS196 3.0 5.8 1.0
CG A:HIS196 3.0 4.6 1.0
CG A:HIS69 3.1 5.1 1.0
CB A:HIS196 3.3 5.0 1.0
CB A:HIS69 3.5 5.8 1.0
O A:SER197 3.8 4.5 1.0
O A:HOH363 3.8 7.9 1.0
O A:HOH329 3.9 6.7 1.0
OE2 A:GLU270 4.0 6.9 1.0
CG A:GLU72 4.1 4.8 1.0
CA A:HIS196 4.1 4.8 1.0
O4 A:MRD310 4.1 7.7 1.0
NE2 A:HIS69 4.1 5.3 1.0
NE2 A:HIS196 4.2 4.9 1.0
CD2 A:HIS196 4.2 5.1 1.0
CD2 A:HIS69 4.2 5.5 1.0
N A:SER197 4.2 4.2 1.0
OE1 A:GLU270 4.6 4.8 1.0
NH1 A:ARG127 4.6 8.1 1.0
CD A:GLU270 4.7 6.2 1.0
C A:HIS196 4.7 4.5 1.0
O A:HOH557 4.7 14.0 1.0
C A:SER197 4.8 4.3 1.0
CA A:HIS69 4.8 5.2 1.0
O2 A:MRD310 4.9 7.7 1.0
CB A:GLU72 4.9 4.6 1.0
N A:HIS69 4.9 5.3 1.0

Zinc binding site 2 out of 2 in 3hlp

Go back to Zinc Binding Sites List in 3hlp
Zinc binding site 2 out of 2 in the Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:7.0
occ:1.00
O B:HOH312 2.0 9.0 1.0
ND1 B:HIS69 2.1 7.8 1.0
ND1 B:HIS196 2.1 6.4 1.0
OE1 B:GLU72 2.2 7.0 1.0
OE2 B:GLU72 2.4 7.2 1.0
CD B:GLU72 2.6 6.2 1.0
CE1 B:HIS69 3.0 7.4 1.0
CG B:HIS196 3.0 5.1 1.0
CE1 B:HIS196 3.1 6.6 1.0
CG B:HIS69 3.1 6.6 1.0
CB B:HIS196 3.3 6.2 1.0
CB B:HIS69 3.5 5.7 1.0
O B:HOH455 3.7 14.2 1.0
O B:SER197 3.8 5.2 1.0
O B:HOH318 3.9 7.3 1.0
OE2 B:GLU270 4.0 7.6 1.0
O4 B:MRD311 4.1 9.7 1.0
CG B:GLU72 4.1 5.6 1.0
NE2 B:HIS69 4.1 7.5 1.0
CA B:HIS196 4.1 5.6 1.0
NE2 B:HIS196 4.2 5.5 1.0
CD2 B:HIS196 4.2 5.2 1.0
CD2 B:HIS69 4.2 6.7 1.0
N B:SER197 4.3 5.8 1.0
NH1 B:ARG127 4.5 16.8 1.0
OE1 B:GLU270 4.6 5.9 1.0
CD B:GLU270 4.7 6.7 1.0
C B:HIS196 4.8 5.2 1.0
CA B:HIS69 4.8 5.5 1.0
O2 B:MRD311 4.8 9.3 1.0
O B:HOH556 4.8 21.0 1.0
C B:SER197 4.8 5.7 1.0
N B:HIS69 4.9 5.2 1.0
CB B:GLU72 5.0 6.2 1.0

Reference:

D.Fernandez, M.Montenegro, M.Garcia, F.X.Aviles, J.Vendrell. Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational To Be Published.
Page generated: Sat Sep 26 10:38:21 2020
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