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Calcium 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
Chlorine (Cl) 2 atoms
Sodium (Na) 1 atom

Calcium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium 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 Calcium atom.
In total 12 binding sites of Calcium where 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:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in 2w0d

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Calcium binding site 1 out of 12 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 Calcium with other atoms in the Ca 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
A:Ca1266

b:4.9
occ:1.00
 OE2 A:GLU201 2.3 5.4 1.0
O A:GLY178 2.3 4.8 1.0
O A:ILE180 2.3 4.9 1.0
OD1 A:ASP198 2.3 5.2 1.0
O A:GLY176 2.3 5.0 1.0
OD2 A:ASP175 2.3 5.0 1.0
CG A:ASP198 3.4 5.7 1.0
C A:GLY178 3.4 4.9 1.0
C A:ILE180 3.4 4.9 1.0
CD A:GLU201 3.5 5.7 1.0
CG A:ASP175 3.5 4.9 1.0
C A:GLY176 3.5 5.0 1.0
N A:ILE180 3.8 5.0 1.0
N A:GLY178 3.8 4.9 1.0
CB A:ASP198 4.1 5.0 1.0
CA A:ILE180 4.1 5.0 1.0
C A:GLY179 4.1 5.1 1.0
OD1 A:ASP175 4.2 4.6 1.0
N A:GLY176 4.2 4.9 1.0
C A:LYS177 4.2 5.0 1.0
CA A:GLY178 4.2 5.0 1.0
CG A:GLU201 4.3 5.0 1.0
C A:ASP175 4.3 5.1 1.0
OE1 A:GLU201 4.3 6.2 1.0
N A:ASP175 4.3 5.1 1.0
OD2 A:ASP198 4.4 2.6 1.0
N A:GLY179 4.4 5.0 1.0
CA A:LYS177 4.4 5.1 0.5
N A:LYS177 4.5 5.2 1.0
CA A:GLY176 4.5 5.1 1.0
N A:LEU181 4.5 4.8 1.0
CA A:LYS177 4.5 5.2 0.5
CA A:GLY179 4.5 5.0 1.0
CB A:ILE180 4.5 5.6 1.0
CA A:ASP175 4.6 5.1 1.0
O A:GLY179 4.7 5.1 1.0
O A:ASP175 4.7 5.1 1.0
CB A:ASP175 4.7 5.1 1.0
CA A:LEU181 4.8 4.8 1.0
O A:HOH2098 4.8 2.0 1.0
O A:LYS177 4.8 5.3 1.0

Calcium binding site 2 out of 12 in 2w0d

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Calcium binding site 2 out of 12 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 Calcium with other atoms in the Ca binding site number 2 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
A:Ca1267

b:5.0
occ:1.00
 OD1 A:ASP124 2.3 4.5 1.0
O A:GLU199 2.3 4.9 1.0
O A:HOH2132 2.3 2.0 1.0
O A:HOH2024 2.4 3.1 1.0
OE2 A:GLU199 2.5 3.8 1.0
O A:GLU201 2.5 5.3 1.0
OD2 A:ASP124 2.7 3.2 1.0
CG A:ASP124 2.8 3.2 1.0
C A:GLU199 3.5 4.9 1.0
CD A:GLU199 3.6 4.4 1.0
C A:GLU201 3.6 5.1 1.0
CG A:GLU199 4.1 3.9 1.0
OG1 A:THR122 4.1 3.9 1.0
CA A:GLU199 4.2 4.8 1.0
CA A:PHE202 4.3 5.1 1.0
CB A:ASP124 4.3 3.4 1.0
CD1 A:TRP203 4.4 3.4 1.0
N A:PHE202 4.4 5.0 1.0
N A:GLU201 4.4 5.0 1.0
C A:ASP200 4.5 5.0 1.0
N A:ASP200 4.5 4.9 1.0
O A:HOH2131 4.5 11.5 1.0
O A:HOH2096 4.6 8.0 1.0
OE1 A:GLU199 4.7 3.6 1.0
CA A:ASP200 4.7 5.1 1.0
O A:HOH2075 4.7 18.3 1.0
CA A:GLU201 4.7 5.1 1.0
CB A:GLU199 4.7 4.9 1.0
NH2 A:ARG165 4.8 5.7 1.0
NE1 A:TRP203 4.8 4.0 1.0
N A:TRP203 4.8 4.8 1.0
O A:HOH2025 4.8 4.5 1.0
O A:ASP200 4.9 4.5 1.0
O A:HOH2074 5.0 2.0 1.0
CD1 A:PHE202 5.0 6.5 1.0

Calcium binding site 3 out of 12 in 2w0d

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Calcium binding site 3 out of 12 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 Calcium with other atoms in the Ca binding site number 3 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
A:Ca1268

b:6.8
occ:1.00
 O A:ASP158 2.2 5.3 1.0
O A:GLY192 2.2 5.1 1.0
OD2 A:ASP194 2.4 4.0 1.0
O A:HOH2059 2.4 3.1 1.0
O A:GLY190 2.5 4.9 1.0
O A:HOH2116 2.5 2.0 1.0
C A:ASP158 3.4 5.0 1.0
C A:GLY192 3.4 5.1 1.0
CG A:ASP194 3.4 4.7 1.0
C A:GLY190 3.7 4.9 1.0
O A:HOH2126 3.8 2.0 1.0
C A:ILE191 3.9 5.2 1.0
OD1 A:ASP194 4.0 5.2 1.0
N A:GLY192 4.0 5.0 1.0
O A:ILE191 4.1 5.1 1.0
N A:ASP194 4.2 4.9 1.0
CA A:ASP158 4.2 5.1 1.0
O A:ALA157 4.2 5.6 1.0
CA A:GLY192 4.3 4.9 1.0
N A:ILE159 4.3 4.9 1.0
O A:GLY188 4.4 4.8 1.0
N A:GLY193 4.4 4.7 1.0
CA A:ILE191 4.4 5.4 1.0
CA A:ILE159 4.4 5.1 1.0
N A:ILE191 4.5 4.9 1.0
CA A:GLY193 4.5 4.8 1.0
C A:GLY193 4.5 5.0 1.0
N A:GLY190 4.6 5.0 1.0
O D:HOH2095 4.6 10.7 1.0
N A:LEU160 4.6 5.1 1.0
CB A:ASP194 4.6 4.7 1.0
CA A:GLY190 4.6 4.9 1.0
CA A:ASP194 4.8 5.0 1.0
O A:HOH2062 4.8 3.9 1.0
C A:SER189 4.9 4.9 1.0
C A:ILE159 5.0 5.2 1.0

Calcium binding site 4 out of 12 in 2w0d

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Calcium binding site 4 out of 12 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 Calcium with other atoms in the Ca binding site number 4 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
B:Ca1266

b:4.5
occ:1.00
 O B:GLY176 2.3 4.8 1.0
OE2 B:GLU201 2.3 5.8 1.0
O B:GLY178 2.3 4.9 1.0
OD2 B:ASP175 2.3 4.6 1.0
O B:ILE180 2.3 4.8 1.0
OD1 B:ASP198 2.4 5.2 1.0
CG B:ASP198 3.4 4.5 1.0
C B:GLY178 3.5 4.9 1.0
C B:ILE180 3.5 4.8 1.0
CD B:GLU201 3.5 6.0 1.0
CG B:ASP175 3.5 4.9 1.0
C B:GLY176 3.5 5.0 1.0
N B:ILE180 3.8 5.0 1.0
N B:GLY178 3.9 5.0 1.0
CB B:ASP198 4.1 5.0 1.0
N B:GLY176 4.1 4.9 1.0
OD1 B:ASP175 4.1 4.7 1.0
CA B:ILE180 4.1 4.9 1.0
OE1 B:GLU201 4.2 7.2 1.0
C B:GLY179 4.2 5.1 1.0
C B:LYS177 4.2 5.0 1.0
C B:ASP175 4.2 5.0 1.0
CA B:GLY178 4.3 5.1 1.0
N B:ASP175 4.3 5.2 1.0
OD2 B:ASP198 4.4 4.7 1.0
CA B:GLY176 4.4 4.8 1.0
N B:GLY179 4.4 5.1 1.0
N B:LYS177 4.4 5.0 1.0
CG B:GLU201 4.5 5.3 1.0
CA B:LYS177 4.5 5.0 0.5
CB B:ILE180 4.5 5.0 1.0
N B:LEU181 4.5 4.8 1.0
CA B:LYS177 4.6 5.0 0.5
CA B:GLY179 4.6 5.2 1.0
CA B:ASP175 4.6 5.1 1.0
CB B:ASP175 4.6 5.1 1.0
O B:ASP175 4.7 4.8 1.0
O B:GLY179 4.7 5.0 1.0
O B:LYS177 4.8 5.2 1.0
O B:HOH2084 4.8 2.0 1.0
CA B:LEU181 4.8 4.6 1.0

Calcium binding site 5 out of 12 in 2w0d

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Calcium binding site 5 out of 12 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 Calcium with other atoms in the Ca binding site number 5 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
B:Ca1267

b:5.4
occ:1.00
 O B:GLU199 2.3 5.1 1.0
O B:GLU201 2.3 5.3 1.0
O B:HOH2111 2.4 2.0 1.0
OD1 B:ASP124 2.4 4.4 1.0
O B:HOH2116 2.4 2.0 1.0
OE2 B:GLU199 2.5 3.3 1.0
OD2 B:ASP124 2.6 4.3 1.0
CG B:ASP124 2.9 3.9 1.0
C B:GLU199 3.4 4.9 1.0
C B:GLU201 3.5 5.2 1.0
CD B:GLU199 3.6 4.2 1.0
CG B:GLU199 3.9 3.9 1.0
CA B:GLU199 4.0 4.8 1.0
OG1 B:THR122 4.2 4.6 1.0
CA B:PHE202 4.2 5.2 1.0
N B:PHE202 4.3 5.1 1.0
CD1 B:TRP203 4.4 4.4 1.0
N B:GLU201 4.4 5.0 1.0
N B:ASP200 4.4 4.9 1.0
CB B:ASP124 4.4 3.8 1.0
C B:ASP200 4.4 5.0 1.0
O B:HOH2019 4.5 2.1 1.0
CA B:GLU201 4.6 5.1 1.0
CA B:ASP200 4.6 5.1 1.0
CB B:GLU199 4.6 4.3 1.0
O B:HOH2115 4.7 10.9 1.0
OE1 B:GLU199 4.7 3.9 1.0
N B:TRP203 4.7 4.7 1.0
NE1 B:TRP203 4.8 4.6 1.0
O B:ASP200 4.8 4.8 1.0
NH2 B:ARG165 4.9 5.9 1.0
O B:HOH2063 4.9 4.1 1.0

Calcium binding site 6 out of 12 in 2w0d

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Calcium binding site 6 out of 12 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 Calcium with other atoms in the Ca binding site number 6 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
B:Ca1268

b:6.5
occ:1.00
 O B:GLY192 2.3 5.2 1.0
O B:GLY190 2.3 5.2 1.0
O B:ASP158 2.3 5.1 1.0
OD2 B:ASP194 2.4 5.0 1.0
O B:HOH2053 2.4 2.0 1.0
O B:HOH2099 2.6 2.0 1.0
CG B:ASP194 3.4 4.8 1.0
C B:ASP158 3.4 5.1 1.0
C B:GLY192 3.4 5.2 1.0
C B:GLY190 3.5 5.0 1.0
OD1 B:ASP194 3.8 3.2 1.0
O B:HOH2109 3.9 10.3 1.0
C B:ILE191 3.9 5.0 1.0
N B:GLY192 4.0 5.1 1.0
O B:ILE191 4.1 5.0 1.0
N B:ASP194 4.2 4.9 1.0
O B:ALA157 4.2 5.8 1.0
CA B:GLY192 4.2 4.8 1.0
CA B:ASP158 4.3 5.3 1.0
O B:GLY188 4.3 5.0 1.0
CA B:ILE191 4.4 5.2 1.0
N B:ILE191 4.4 4.9 1.0
N B:ILE159 4.4 5.0 1.0
N B:GLY193 4.4 4.9 1.0
CA B:GLY190 4.5 5.0 1.0
N B:GLY190 4.5 5.0 1.0
CA B:ILE159 4.5 5.1 1.0
CA B:GLY193 4.6 4.9 1.0
CB B:ASP194 4.6 4.5 1.0
N B:LEU160 4.6 5.1 1.0
C B:GLY193 4.6 5.0 1.0
CA B:ASP194 4.8 5.0 1.0
C B:SER189 4.8 5.0 1.0
CH2 B:TRP109 4.9 4.3 1.0
O B:HOH2054 5.0 2.0 1.0

Calcium binding site 7 out of 12 in 2w0d

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Calcium binding site 7 out of 12 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 Calcium with other atoms in the Ca binding site number 7 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
C:Ca1266

b:4.8
occ:1.00
 OE2 C:GLU201 2.3 5.0 1.0
OD1 C:ASP198 2.3 5.4 1.0
O C:ILE180 2.3 4.7 1.0
O C:GLY176 2.3 4.9 1.0
O C:GLY178 2.3 4.9 1.0
OD2 C:ASP175 2.4 4.9 1.0
CG C:ASP198 3.4 4.3 1.0
C C:ILE180 3.4 4.9 1.0
CD C:GLU201 3.5 4.9 1.0
C C:GLY178 3.5 5.0 1.0
CG C:ASP175 3.6 4.8 1.0
C C:GLY176 3.6 5.1 1.0
N C:ILE180 3.8 4.8 1.0
N C:GLY178 3.9 5.1 1.0
CB C:ASP198 4.0 4.8 1.0
CA C:ILE180 4.1 4.6 1.0
N C:GLY176 4.1 4.9 1.0
OD1 C:ASP175 4.2 4.6 1.0
C C:LYS177 4.2 5.1 1.0
C C:GLY179 4.2 5.1 1.0
OE1 C:GLU201 4.3 5.2 1.0
N C:ASP175 4.3 5.0 1.0
OD2 C:ASP198 4.3 3.0 1.0
C C:ASP175 4.3 4.9 1.0
CA C:GLY178 4.3 4.9 1.0
CA C:LYS177 4.4 5.5 1.0
CG C:GLU201 4.4 4.6 1.0
N C:LYS177 4.5 5.0 1.0
CA C:GLY176 4.5 5.0 1.0
N C:GLY179 4.5 4.9 1.0
N C:LEU181 4.5 4.8 1.0
CB C:ILE180 4.5 4.5 1.0
CA C:GLY179 4.6 4.9 1.0
CA C:ASP175 4.6 5.0 1.0
O C:HOH2069 4.7 7.0 1.0
CB C:ASP175 4.7 5.0 1.0
CA C:LEU181 4.7 4.7 1.0
O C:ASP175 4.8 5.0 1.0
O C:GLY179 4.8 5.1 1.0
O C:LYS177 4.8 5.3 1.0
O C:HOH2088 5.0 2.1 1.0

Calcium binding site 8 out of 12 in 2w0d

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Calcium binding site 8 out of 12 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 Calcium with other atoms in the Ca binding site number 8 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
C:Ca1267

b:5.1
occ:1.00
 OE2 C:GLU199 2.3 3.9 1.0
OD1 C:ASP124 2.3 4.8 1.0
O C:GLU199 2.3 4.9 1.0
O C:GLU201 2.5 5.4 1.0
O C:HOH2052 2.7 2.7 1.0
O C:HOH2089 2.7 2.0 1.0
OD2 C:ASP124 2.8 3.8 1.0
CG C:ASP124 2.9 2.8 1.0
CD C:GLU199 3.4 4.9 1.0
C C:GLU199 3.5 4.9 1.0
C C:GLU201 3.7 5.2 1.0
CG C:GLU199 3.8 4.5 1.0
OG1 C:THR122 3.9 4.6 1.0
CA C:GLU199 4.1 4.8 1.0
CD1 C:TRP203 4.2 4.0 1.0
CB C:ASP124 4.4 3.1 1.0
CA C:PHE202 4.4 5.0 1.0
OE1 C:GLU199 4.5 4.4 1.0
N C:PHE202 4.5 5.1 1.0
N C:GLU201 4.5 4.8 1.0
N C:ASP200 4.5 4.9 1.0
CB C:GLU199 4.6 4.9 1.0
C C:ASP200 4.6 4.9 1.0
NE1 C:TRP203 4.7 2.8 1.0
CA C:ASP200 4.8 5.0 1.0
CA C:GLU201 4.8 5.0 1.0
N C:TRP203 4.8 5.0 1.0
NH2 C:ARG165 4.8 5.8 1.0
O C:HOH2019 4.9 6.8 1.0

Calcium binding site 9 out of 12 in 2w0d

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Calcium binding site 9 out of 12 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 Calcium with other atoms in the Ca binding site number 9 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
C:Ca1268

b:4.6
occ:1.00
 O C:GLY192 2.3 4.8 1.0
O C:GLY190 2.3 4.8 1.0
O C:HOH2046 2.3 2.0 1.0
O C:ASP158 2.4 5.1 1.0
O C:HOH2078 2.4 2.0 1.0
OD2 C:ASP194 2.5 4.8 1.0
C C:GLY192 3.5 5.0 1.0
CG C:ASP194 3.5 5.5 1.0
C C:GLY190 3.5 4.8 1.0
C C:ASP158 3.5 5.1 1.0
C C:ILE191 3.9 4.9 1.0
OD1 C:ASP194 3.9 2.3 1.0
N C:GLY192 4.0 4.8 1.0
O C:ILE191 4.1 4.7 1.0
O C:ALA157 4.1 5.8 1.0
N C:ASP194 4.2 4.9 1.0
CA C:GLY192 4.3 4.8 1.0
CA C:ILE191 4.3 5.2 1.0
CA C:ASP158 4.3 5.0 1.0
O C:GLY188 4.3 5.0 1.0
N C:ILE191 4.3 4.9 1.0
N C:GLY193 4.4 4.9 1.0
N C:ILE159 4.4 5.0 1.0
CA C:GLY190 4.5 5.0 1.0
N C:GLY190 4.5 4.9 1.0
CA C:GLY193 4.5 5.0 1.0
CA C:ILE159 4.6 5.0 1.0
C C:GLY193 4.6 5.0 1.0
CB C:ASP194 4.6 5.2 1.0
N C:LEU160 4.6 4.8 1.0
CA C:ASP194 4.7 5.2 1.0
CH2 C:TRP109 4.8 4.3 1.0
C C:SER189 4.8 4.9 1.0
O C:HOH2047 4.9 2.0 1.0

Calcium binding site 10 out of 12 in 2w0d

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Calcium binding site 10 out of 12 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 Calcium with other atoms in the Ca binding site number 10 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:Ca1266

b:4.7
occ:1.00
 OE2 D:GLU201 2.3 5.1 1.0
O D:ILE180 2.3 5.2 1.0
OD1 D:ASP198 2.3 5.4 1.0
O D:GLY176 2.3 5.0 1.0
O D:GLY178 2.3 5.0 1.0
OD2 D:ASP175 2.4 5.1 1.0
CG D:ASP198 3.4 5.3 1.0
C D:ILE180 3.4 4.9 1.0
CD D:GLU201 3.5 3.7 1.0
C D:GLY178 3.5 5.1 1.0
CG D:ASP175 3.5 5.1 1.0
C D:GLY176 3.6 5.0 1.0
N D:ILE180 3.9 4.8 1.0
N D:GLY178 3.9 5.0 1.0
CB D:ASP198 3.9 4.9 1.0
CA D:ILE180 4.1 5.0 1.0
OE1 D:GLU201 4.1 4.2 1.0
N D:GLY176 4.2 4.8 1.0
OD1 D:ASP175 4.2 4.7 1.0
C D:GLY179 4.2 5.2 1.0
C D:LYS177 4.3 5.1 1.0
N D:ASP175 4.3 5.2 1.0
C D:ASP175 4.3 5.0 1.0
OD2 D:ASP198 4.3 5.7 1.0
CA D:GLY178 4.3 5.1 1.0
CA D:LYS177 4.4 5.3 1.0
CB D:ILE180 4.5 4.9 1.0
CA D:GLY176 4.5 4.8 1.0
N D:LYS177 4.5 4.8 1.0
N D:GLY179 4.5 5.0 1.0
N D:LEU181 4.5 4.9 1.0
CG D:GLU201 4.5 4.7 1.0
CA D:ASP175 4.6 5.1 1.0
CA D:GLY179 4.6 5.1 1.0
CB D:ASP175 4.7 5.0 1.0
O D:ASP175 4.7 5.0 1.0
O D:HOH2084 4.8 2.4 1.0
O D:GLY179 4.8 5.2 1.0
CA D:LEU181 4.8 4.8 1.0
O D:LYS177 4.9 5.3 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: Fri Jul 12 18:19:46 2024

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