Zinc in PDB 2m30: Solution uc(Nmr) Refinement of A Metal Ion Bound Protein Using Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Methods

The binding sites of Zinc atom in the Solution uc(Nmr) Refinement of A Metal Ion Bound Protein Using Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Methods (pdb code 2m30). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Solution uc(Nmr) Refinement of A Metal Ion Bound Protein Using Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Methods, PDB code: 2m30:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Solution uc(Nmr) Refinement of A Metal Ion Bound Protein Using Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Methods


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Solution uc(Nmr) Refinement of A Metal Ion Bound Protein Using Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Methods within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:0.0 occ:1.00 ND1 B:HIS86 1.9 0.0 1.0 ND1 A:HIS97 2.0 0.0 1.0 NE2 A:HIS100 2.0 0.0 1.0 OD2 B:ASP84 2.1 0.0 1.0 OD1 B:ASP84 2.5 0.0 1.0 HA A:HIS97 2.6 0.0 1.0 CG B:ASP84 2.7 0.0 1.0 HB2 B:HIS86 2.9 0.0 1.0 CE1 A:HIS97 2.9 0.0 1.0 CD2 A:HIS100 3.0 0.0 1.0 CG B:HIS86 3.0 0.0 1.0 CE1 B:HIS86 3.0 0.0 1.0 CE1 A:HIS100 3.1 0.0 1.0 CG A:HIS97 3.1 0.0 1.0 HD2 A:HIS100 3.2 0.0 1.0 HE1 A:HIS97 3.2 0.0 1.0 HE1 B:HIS86 3.2 0.0 1.0 CB B:HIS86 3.4 0.0 1.0 HE1 A:HIS100 3.4 0.0 1.0 CA A:HIS97 3.5 0.0 1.0 CB A:HIS97 3.6 0.0 1.0 HB2 A:HIS97 3.7 0.0 1.0 O A:HIS96 3.9 0.0 1.0 HB3 B:HIS86 4.0 0.0 1.0 H B:HIS86 4.0 0.0 1.0 NE2 A:HIS97 4.1 0.0 1.0 CG A:HIS100 4.1 0.0 1.0 NE2 B:HIS86 4.1 0.0 1.0 CD2 B:HIS86 4.1 0.0 1.0 CB B:ASP84 4.1 0.0 1.0 ND1 A:HIS100 4.2 0.0 1.0 CD2 A:HIS97 4.2 0.0 1.0 N A:HIS97 4.3 0.0 1.0 HG12 B:VAL87 4.5 0.0 1.0 C A:HIS96 4.5 0.0 1.0 HB3 B:ASP84 4.5 0.0 1.0 H B:VAL87 4.6 0.0 1.0 C A:HIS97 4.6 0.0 1.0 CA B:HIS86 4.6 0.0 1.0 O A:HIS97 4.6 0.0 1.0 HB2 B:ASP84 4.6 0.0 1.0 HB3 A:HIS97 4.7 0.0 1.0 N B:HIS86 4.7 0.0 1.0 HE2 A:HIS97 5.0 0.0 1.0 HE2 B:HIS86 5.0 0.0 1.0

Zinc binding site 2 out of 2 in the Solution uc(Nmr) Refinement of A Metal Ion Bound Protein Using Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Methods


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Solution uc(Nmr) Refinement of A Metal Ion Bound Protein Using Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Methods within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:0.0 occ:1.00 ND1 A:HIS86 1.9 0.0 1.0 NE2 B:HIS100 1.9 0.0 1.0 ND1 B:HIS97 2.0 0.0 1.0 OD2 A:ASP84 2.1 0.0 1.0 HA B:HIS97 2.4 0.0 1.0 OD1 A:ASP84 2.7 0.0 1.0 CG A:ASP84 2.7 0.0 1.0 CE1 B:HIS100 2.9 0.0 1.0 CE1 A:HIS86 2.9 0.0 1.0 CE1 B:HIS97 2.9 0.0 1.0 HE1 B:HIS100 3.1 0.0 1.0 CG A:HIS86 3.1 0.0 1.0 CD2 B:HIS100 3.1 0.0 1.0 HE1 B:HIS97 3.1 0.0 1.0 CG B:HIS97 3.1 0.0 1.0 HB2 A:HIS86 3.1 0.0 1.0 HE1 A:HIS86 3.2 0.0 1.0 CA B:HIS97 3.2 0.0 1.0 HD2 B:HIS100 3.4 0.0 1.0 CB B:HIS97 3.6 0.0 1.0 CB A:HIS86 3.6 0.0 1.0 HB2 B:HIS97 3.8 0.0 1.0 O B:HIS97 3.9 0.0 1.0 C B:HIS97 4.0 0.0 1.0 NE2 A:HIS86 4.0 0.0 1.0 N B:HIS97 4.0 0.0 1.0 HB3 A:HIS86 4.1 0.0 1.0 NE2 B:HIS97 4.1 0.0 1.0 ND1 B:HIS100 4.1 0.0 1.0 O B:HIS96 4.1 0.0 1.0 CD2 A:HIS86 4.1 0.0 1.0 CG B:HIS100 4.2 0.0 1.0 CB A:ASP84 4.2 0.0 1.0 CD2 B:HIS97 4.2 0.0 1.0 H A:HIS86 4.3 0.0 1.0 C B:HIS96 4.4 0.0 1.0 HB3 A:ASP84 4.5 0.0 1.0 HG11 A:VAL87 4.6 0.0 1.0 HB2 A:ASP84 4.6 0.0 1.0 HB3 B:HIS97 4.6 0.0 1.0 H B:HIS97 4.7 0.0 1.0 H A:VAL87 4.8 0.0 1.0 HE2 A:HIS86 4.9 0.0 1.0 CA A:HIS86 4.9 0.0 1.0 HD1 B:HIS100 5.0 0.0 1.0 HE2 B:HIS97 5.0 0.0 1.0

D.K.Chakravorty, B.Wang, C.W.Lee, A.J.Guerra, D.P.Giedroc, K.M.Merz. Solution uc(Nmr) Refinement of A Metal Ion Bound Protein Using Metal Ion Inclusive Restrained Molecular Dynamics Methods. J.Biomol.uc(Nmr) V. 56 125 2013.
ISSN: ISSN 0925-2738
PubMed: 23609042
DOI: 10.1007/S10858-013-9729-7