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

Zinc Binding Sites:

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 2m30

Go back to Zinc Binding Sites List in 2m30
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 2m30

Go back to Zinc Binding Sites List in 2m30
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

Reference:

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
Page generated: Wed Dec 16 03:39:16 2020

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