Zinc in PDB 2w12: High-Resolution Crystal Structure of the P-I Snake Venom Metalloproteinase BAP1 in Complex with A Peptidomimetic: Insights Into Inhibitor Binding

The structure of High-Resolution Crystal Structure of the P-I Snake Venom Metalloproteinase BAP1 in Complex with A Peptidomimetic: Insights Into Inhibitor Binding, PDB code: 2w12 was solved by T.J.Lingott, C.Schleberger, J.M.Gutierrez, I.Merfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.77 / 1.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.000, 59.500, 81.800, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.8

The binding sites of Zinc atom in the High-Resolution Crystal Structure of the P-I Snake Venom Metalloproteinase BAP1 in Complex with A Peptidomimetic: Insights Into Inhibitor Binding (pdb code 2w12). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the High-Resolution Crystal Structure of the P-I Snake Venom Metalloproteinase BAP1 in Complex with A Peptidomimetic: Insights Into Inhibitor Binding, PDB code: 2w12:

Zinc binding site 1 out of 1 in the High-Resolution Crystal Structure of the P-I Snake Venom Metalloproteinase BAP1 in Complex with A Peptidomimetic: Insights Into Inhibitor Binding


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of High-Resolution Crystal Structure of the P-I Snake Venom Metalloproteinase BAP1 in Complex with A Peptidomimetic: Insights Into Inhibitor Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1203 b:4.8 occ:1.00 OAI A:WR21204 2.0 5.5 1.0 NE2 A:HIS146 2.0 5.5 1.0 NE2 A:HIS142 2.1 4.9 1.0 NE2 A:HIS152 2.1 3.8 1.0 OAK A:WR21204 2.2 5.1 1.0 CAX A:WR21204 2.7 4.5 1.0 NAR A:WR21204 2.9 3.8 1.0 CE1 A:HIS146 3.0 6.5 1.0 CE1 A:HIS142 3.0 3.5 1.0 CD2 A:HIS142 3.0 4.2 1.0 CE1 A:HIS152 3.0 9.2 1.0 CD2 A:HIS152 3.1 5.7 1.0 CD2 A:HIS146 3.1 5.6 1.0 C2 A:GOL1205 4.0 12.1 1.0 ND1 A:HIS146 4.1 5.9 1.0 ND1 A:HIS142 4.2 3.5 1.0 ND1 A:HIS152 4.2 9.3 1.0 CG A:HIS142 4.2 3.0 1.0 CG A:HIS146 4.2 2.4 1.0 CBB A:WR21204 4.2 4.3 1.0 CG A:HIS152 4.2 6.7 1.0 O1 A:GOL1205 4.2 6.0 1.0 OE1 A:GLU143 4.3 4.0 1.0 C1 A:GOL1205 4.4 10.5 1.0 CAO A:WR21204 4.4 4.1 1.0 CBC A:WR21204 4.6 4.3 1.0 CE A:MET166 4.7 5.9 1.0 C3 A:GOL1205 4.8 13.4 1.0 OE2 A:GLU143 4.8 6.0 1.0 CAN A:WR21204 4.9 5.5 1.0 CD A:GLU143 5.0 3.2 1.0

T.J.Lingott, C.Schleberger, J.M.Gutierrez, I.Merfort. High-Resolution Crystal Structure of the Snake Venom Metalloproteinase BAP1 Complexed with A Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry V. 48 6166 2009.
ISSN: ISSN 0006-2960
PubMed: 19485419
DOI: 10.1021/BI9002315