Zinc in PDB 1tq7: Crystal Structure of the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack

All present enzymatic activity of Crystal Structure of the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack:
3.4.21.5;

The structure of Crystal Structure of the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack, PDB code: 1tq7 was solved by A.O.Pineda, Z.-W.Chen, S.Caccia, S.N.Savvides, G.Waksman, F.S.Mathews, E.Dicera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.31 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.110, 73.830, 87.330, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.3

The binding sites of Zinc atom in the Crystal Structure of the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack (pdb code 1tq7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack, PDB code: 1tq7:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack


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 the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:70.6 occ:1.00 OE1 A:GLU14E 2.2 19.1 1.0 O B:HOH503 2.3 28.5 1.0 O B:HOH501 2.6 21.1 1.0 CD A:GLU14E 3.0 22.6 1.0 OE2 A:GLU14E 3.1 22.2 1.0 O B:HOH504 3.8 11.4 1.0 O B:HOH761 3.9 36.7 1.0 ND2 B:ASN159 4.1 24.1 1.0 CB B:ASN159 4.2 18.9 1.0 O B:ASN159 4.3 17.8 1.0 N B:ASN159 4.4 20.0 1.0 CG A:GLU14E 4.5 20.0 1.0 OH B:TYR184A 4.5 16.4 1.0 CG B:ASN159 4.6 21.0 1.0 CA B:ASN159 4.8 18.7 1.0 C B:ASN159 5.0 18.7 1.0 NZ B:LYS186D 5.0 37.6 1.0 CB A:GLU14E 5.0 20.6 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack


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 the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:36.9 occ:1.00 OD2 A:ASP1A 1.4 30.7 1.0 NE2 B:HIS119 2.2 23.1 1.0 O A:HOH505 2.5 22.2 1.0 CG A:ASP1A 2.6 29.8 1.0 OD1 A:ASP1A 2.9 32.1 1.0 O A:HOH758 3.0 63.9 1.0 CE1 B:HIS119 3.1 22.2 1.0 CD2 B:HIS119 3.3 20.9 1.0 CB A:ASP1A 3.7 27.8 1.0 NZ A:LYS9 3.9 40.0 1.0 O A:HOH800 4.2 62.1 1.0 ND1 B:HIS119 4.3 22.4 1.0 CG B:HIS119 4.4 21.0 1.0 CD2 B:PHE114 4.5 25.0 1.0 CB B:PHE114 4.6 26.6 1.0 CG B:PHE114 5.0 27.9 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack


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 the Anticoagulant Thrombin Mutant W215A/E217A Bound to Ppack within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:55.4 occ:1.00 ND1 B:HIS71 2.3 50.5 1.0 OE1 B:GLU77 2.6 64.8 1.0 OE2 B:GLU77 2.6 63.2 1.0 O B:HOH531 2.7 31.2 1.0 CD B:GLU77 2.9 63.6 1.0 O B:HOH731 2.9 41.1 1.0 CE1 B:HIS71 3.2 50.6 1.0 CG B:HIS71 3.3 49.9 1.0 CB B:HIS71 3.6 48.0 1.0 NH2 B:ARG75 3.9 72.1 1.0 CG2 B:ILE79 4.3 41.1 1.0 CG B:GLU77 4.3 63.7 1.0 NE2 B:HIS71 4.3 50.8 1.0 NH2 B:ARG77A 4.3 67.5 1.0 CD2 B:HIS71 4.3 50.1 1.0 O B:HOH532 4.5 61.1 1.0 CB B:GLU77 4.7 62.9 1.0 CZ B:ARG75 4.8 70.7 1.0 CG1 B:ILE79 4.8 44.2 1.0 NH1 B:ARG75 4.9 71.4 1.0 CG2 B:ILE24 5.0 22.4 1.0

A.O.Pineda, Z.-W.Chen, S.Caccia, A.M.Cantwell, S.N.Savvides, G.Waksman, F.S.Mathews, E.Di Cera. The Anticoagulant Thrombin Mutant W215A/E217A Has A Collapsed Primary Specificity Pocket J.Biol.Chem. V. 279 39824 2004.
ISSN: ISSN 0021-9258
PubMed: 15252033
DOI: 10.1074/JBC.M407272200