Zinc in PDB 1hp7: A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops

The structure of A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops, PDB code: 1hp7 was solved by S.-J.Kim, J.-R.Woo, E.J.Seo, M.-H.Yu, S.-E.Ryu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.00 / 2.10
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	77.570, 77.570, 124.290, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 27.3

The binding sites of Zinc atom in the A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops (pdb code 1hp7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops, PDB code: 1hp7:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:36.7 occ:1.00 O A:HOH486 2.0 37.6 1.0 OE1 A:GLU89 2.0 48.6 1.0 NE2 A:HIS73 2.1 27.9 1.0 NE2 A:HIS93 2.1 29.2 1.0 CD A:GLU89 2.7 47.2 1.0 OE2 A:GLU89 2.8 50.0 1.0 CE1 A:HIS73 2.9 26.1 1.0 CE1 A:HIS93 3.0 29.9 1.0 CD2 A:HIS93 3.1 29.4 1.0 CD2 A:HIS73 3.2 26.1 1.0 CG A:GLU89 4.0 46.0 1.0 ND1 A:HIS93 4.1 29.3 1.0 ND1 A:HIS73 4.1 28.2 1.0 CG A:HIS93 4.2 28.9 1.0 CG A:HIS73 4.2 28.3 1.0 CB A:GLU89 4.7 43.1 1.0 CD1 A:LEU77 4.7 30.0 1.0

Zinc binding site 2 out of 5 in the A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:36.1 occ:1.00 OE2 A:GLU151 1.9 26.9 1.0 OE2 A:GLU175 2.2 44.9 1.0 OE1 A:GLU175 2.6 45.6 1.0 CD A:GLU175 2.7 44.1 1.0 CD A:GLU151 2.9 28.3 1.0 CG A:GLU151 3.6 30.3 1.0 OE1 A:GLU151 3.7 27.2 1.0 O A:HOH510 4.1 42.1 1.0 CG A:GLU175 4.2 45.4 1.0 NZ A:LYS154 4.3 39.6 1.0 OG1 A:THR150 5.0 43.0 1.0 CB A:GLU151 5.0 32.3 1.0

Zinc binding site 3 out of 5 in the A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:38.2 occ:1.00 ND1 A:HIS262 2.1 28.4 1.0 O A:HOH438 2.3 33.0 1.0 CE1 A:HIS262 3.0 28.2 1.0 CG A:HIS262 3.1 26.2 1.0 CB A:HIS262 3.5 28.6 1.0 CA A:HIS262 3.6 28.3 1.0 OE1 A:GLU266 3.8 47.4 1.0 NE2 A:HIS262 4.1 28.1 1.0 CD2 A:HIS262 4.2 28.7 1.0 CG A:GLU266 4.4 42.4 1.0 O A:HIS262 4.4 30.5 1.0 C A:HIS262 4.5 29.1 1.0 CD A:GLU266 4.5 45.0 1.0 N A:HIS262 4.7 28.4 1.0 CB A:ASN265 5.0 34.1 1.0

Zinc binding site 4 out of 5 in the A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:42.8 occ:1.00 OG A:SER285 2.0 27.3 1.0 OE1 A:GLU363 2.2 39.0 1.0 NE2 A:HIS287 2.5 28.2 1.0 CD A:GLU363 2.9 39.4 1.0 OE2 A:GLU363 2.9 41.0 1.0 CB A:SER285 3.2 26.5 1.0 CD2 A:HIS287 3.2 26.5 1.0 CE1 A:HIS287 3.6 27.8 1.0 CG A:GLU363 4.3 36.8 1.0 CA A:SER285 4.4 26.7 1.0 CG A:HIS287 4.4 27.9 1.0 C A:SER285 4.5 24.9 1.0 ND1 A:HIS287 4.6 30.8 1.0 O A:SER285 4.7 22.6 1.0 CB A:GLU363 4.9 33.9 1.0

Zinc binding site 5 out of 5 in the A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of A 2.1 Angstrom Structure of An Uncleaved Alpha-1-Antitrypsin Shows Variability of the Reactive Center and Other Loops within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:39.6 occ:1.00 NE2 A:HIS101 1.9 40.4 1.0 NE2 A:HIS139 2.1 37.8 1.0 CD2 A:HIS101 2.8 38.9 1.0 CE1 A:HIS101 2.9 40.1 1.0 CD2 A:HIS139 3.0 36.6 1.0 CE1 A:HIS139 3.1 36.4 1.0 O A:LYS136 3.7 33.3 1.0 CG A:HIS101 4.0 39.8 1.0 ND1 A:HIS101 4.0 40.8 1.0 ND1 A:HIS139 4.2 36.3 1.0 CG A:HIS139 4.2 35.8 1.0 O A:LEU137 4.4 32.0 1.0 C A:LYS136 4.9 34.2 1.0

S.Kim, J.Woo, E.J.Seo, M.Yu, S.Ryu. A 2.1 A Resolution Structure of An Uncleaved Alpha(1)-Antitrypsin Shows Variability of the Reactive Center and Other Loops. J.Mol.Biol. V. 306 109 2001.
ISSN: ISSN 0022-2836
PubMed: 11178897
DOI: 10.1006/JMBI.2000.4357