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Sodium in PDB 2w0d: Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.

Enzymatic activity of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.

All present enzymatic activity of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.:
3.4.24.65;

Protein crystallography data

The structure of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases., PDB code: 2w0d was solved by J.Isaksson, S.Nystrom, D.J.Derbyshire, H.Wallberg, T.Agback, H.Kovacs, I.Bertini, I.C.Felli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.71 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.160, 99.939, 79.423, 90.00, 96.59, 90.00
R / Rfree (%) 17.9 / 23.7

Other elements in 2w0d:

The structure of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. also contains other interesting chemical elements:

Zinc (Zn) 10 atoms
Calcium (Ca) 12 atoms
Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. (pdb code 2w0d). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases., PDB code: 2w0d:

Sodium binding site 1 out of 1 in 2w0d

Go back to Sodium Binding Sites List in 2w0d
Sodium binding site 1 out of 1 in the Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na1270

b:8.4
occ:1.00
 O D:PHE237 2.7 5.3 1.0
O D:HOH2143 3.0 2.0 1.0
O D:THR239 3.0 5.3 1.0
O D:VAL235 3.1 5.0 1.0
O D:HOH2132 3.2 2.0 1.0
O D:HOH2136 3.3 4.0 1.0
O D:ALA234 3.5 4.8 1.0
C D:VAL235 3.6 5.2 1.0
COM D:CGS1273 3.7 3.8 1.0
C D:PHE237 3.7 4.8 1.0
CA D:VAL235 3.9 5.1 1.0
N D:PHE237 4.0 4.8 1.0
CB D:PHE237 4.0 4.9 1.0
CA D:PHE237 4.1 4.8 1.0
C D:THR239 4.2 5.3 1.0
O D:HOH2142 4.2 6.9 1.0
N D:THR239 4.5 5.2 1.0
C D:ALA234 4.5 5.1 1.0
ND1 D:HIS218 4.5 4.8 1.0
N D:MET236 4.6 5.0 1.0
N D:VAL235 4.7 5.1 1.0
C D:MET236 4.8 4.9 1.0
CG2 D:VAL235 4.8 4.7 1.0
O27 D:CGS1273 4.8 4.5 1.0
CD2 D:CGS1273 4.9 3.7 1.0
N D:PRO238 4.9 4.8 1.0
CA D:THR239 5.0 4.9 1.0

Reference:

J.Isaksson, S.Nystrom, D.J.Derbyshire, H.Wallberg, T.Agback, H.Kovacs, I.Bertini, I.C.Felli. Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. J.Med.Chem. V. 52 1712 2009.
ISSN: ISSN 0022-2623
PubMed: 19239231
DOI: 10.1021/JM801388Q
Page generated: Mon Oct 7 04:33:51 2024

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