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Zinc in PDB 1a0q: 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate

Protein crystallography data

The structure of 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate, PDB code: 1a0q was solved by J.L.Buchbinder, R.C.Stephenson, T.S.Scanlan, R.J.Fletterick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.780, 82.610, 132.340, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 27.5

Zinc Binding Sites:

The binding sites of Zinc atom in the 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate (pdb code 1a0q). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate, PDB code: 1a0q:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 1a0q

Go back to Zinc Binding Sites List in 1a0q
Zinc binding site 1 out of 3 in the 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Zn214

b:50.8
occ:1.00
OE1 L:GLU185 2.7 32.3 1.0
NE2 L:HIS189 2.8 44.4 1.0
OE2 L:GLU185 2.8 35.0 1.0
NH2 L:ARG155 3.0 51.8 1.0
CD L:GLU185 3.1 31.0 1.0
CE1 L:HIS189 3.4 40.2 1.0
CD2 L:HIS189 3.9 40.5 1.0
CZ L:ARG155 4.1 49.5 1.0
NH1 L:ARG155 4.5 40.8 1.0
ND1 L:HIS189 4.6 40.1 1.0
CG L:GLU185 4.6 24.5 1.0
CG L:HIS189 4.9 38.3 1.0

Zinc binding site 2 out of 3 in 1a0q

Go back to Zinc Binding Sites List in 1a0q
Zinc binding site 2 out of 3 in the 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn212

b:55.8
occ:1.00
NE2 H:HIS32 2.7 50.8 1.0
CE1 H:HIS32 3.1 52.2 1.0
OD2 H:ASP31 3.9 41.0 1.0
CD2 H:HIS32 3.9 54.0 1.0
ND1 H:HIS32 4.3 53.5 1.0
NH1 H:ARG94 4.4 25.0 1.0
CB H:ASP31 4.4 41.3 1.0
CG H:ASP31 4.6 41.2 1.0
CG H:HIS32 4.7 51.3 1.0
CZ H:ARG94 4.8 33.2 1.0
NH2 H:ARG94 4.9 26.9 1.0
CD2 H:TYR27 5.0 37.5 1.0

Zinc binding site 3 out of 3 in 1a0q

Go back to Zinc Binding Sites List in 1a0q
Zinc binding site 3 out of 3 in the 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 29G11 Complexed with Phenyl [1-(1-N-Succinylamino)Pentyl] Phosphonate within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn213

b:29.1
occ:1.00
OD1 H:ASP56 2.9 32.4 1.0
OD2 H:ASP56 2.9 40.3 1.0
CG H:ASP56 2.9 22.3 1.0
CE H:LYS58 3.1 32.3 1.0
NZ H:LYS58 3.3 36.5 1.0
CB H:ASP56 3.9 21.6 1.0
CD H:LYS58 4.4 31.4 1.0
OH H:TYR50 4.8 20.3 1.0
CG H:LYS58 4.8 29.6 1.0

Reference:

J.L.Buchbinder, R.C.Stephenson, T.S.Scanlan, R.J.Fletterick. A Comparison of the Crystallographic Structures of Two Catalytic Antibodies with Esterase Activity. J.Mol.Biol. V. 282 1033 1998.
ISSN: ISSN 0022-2836
PubMed: 9753552
DOI: 10.1006/JMBI.1998.2025
Page generated: Wed Dec 16 02:44:20 2020

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