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Zinc in PDB 4lp6: Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer, PDB code: 4lp6 was solved by J.Buratto, T.Granier, B.Langlois D'estaintot, I.Huc, B.Gallois, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.50 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.960, 84.170, 76.700, 90.00, 97.18, 90.00
R / Rfree (%) 19.1 / 25.3

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer (pdb code 4lp6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 13 binding sites of Zinc where determined in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer, PDB code: 4lp6:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 13 in 4lp6

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Zinc binding site 1 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:34.3
occ:1.00
 O A:HOH426 1.9 27.0 1.0
OAF B:Q4I301 2.0 32.5 1.0
NE2 A:HIS64 2.1 38.7 1.0
NE2 A:HIS4 2.1 48.6 1.0
OAO B:Q4I301 2.2 28.2 1.0
CE1 A:HIS4 2.3 47.0 1.0
CCN B:Q4I301 2.5 31.9 1.0
CE1 A:HIS64 3.0 37.4 1.0
CD2 A:HIS64 3.1 38.2 1.0
CD2 A:HIS4 3.5 54.0 1.0
ND1 A:HIS4 3.6 53.8 1.0
CBK B:Q4I301 3.7 37.1 1.0
CCV B:Q4I301 3.8 37.3 1.0
OAP B:Q4I301 3.8 44.8 1.0
CCY B:Q4I301 3.9 34.6 1.0
ND1 A:HIS64 4.2 37.9 1.0
CG A:HIS4 4.2 54.6 1.0
CG A:HIS64 4.2 35.0 1.0
NE1 A:TRP5 4.2 40.9 1.0
CCZ B:Q4I301 4.3 35.0 1.0
O A:ASN62 4.4 26.0 1.0
CE2 A:TRP5 4.5 39.1 1.0
CZ2 A:TRP5 4.5 38.2 1.0
CBL B:Q4I301 4.6 33.2 1.0
O B:HOH413 4.6 54.5 1.0
CDJ B:Q4I301 4.6 33.4 1.0
NBY B:Q4I301 4.8 30.9 1.0
CCQ B:Q4I301 4.9 37.7 1.0
CD1 A:TRP5 5.0 36.9 1.0

Zinc binding site 2 out of 13 in 4lp6

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Zinc binding site 2 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn303

b:53.8
occ:0.75
 OD2 B:ASP174 1.9 50.7 1.0
O A:HOH427 2.0 56.0 1.0
OE1 A:GLU233 2.1 56.8 1.0
OE2 A:GLU233 2.6 64.9 1.0
CG B:ASP174 2.6 53.8 1.0
CD A:GLU233 2.6 54.2 1.0
OD1 B:ASP174 2.7 58.4 1.0
NZ A:LYS171 2.7 71.5 1.0
CE A:LYS171 3.7 66.4 1.0
CG A:GLU233 4.0 49.8 1.0
CB B:ASP174 4.1 47.3 1.0
O B:HOH464 4.9 56.6 1.0

Zinc binding site 3 out of 13 in 4lp6

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Zinc binding site 3 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn304

b:63.4
occ:0.50
 OE1 B:GLU233 1.8 90.3 1.0
O A:HOH465 2.0 67.5 1.0
OE2 B:GLU233 2.3 84.0 1.0
CD B:GLU233 2.4 86.4 1.0
OD2 A:ASP174 2.4 61.4 1.0
OD1 A:ASP174 2.5 46.4 1.0
CG A:ASP174 2.8 47.5 1.0
CG B:GLU233 3.9 88.8 1.0
CB A:ASP174 4.3 45.7 1.0
CD B:LYS171 4.7 52.3 1.0
CB B:GLU233 4.7 82.6 1.0

Zinc binding site 4 out of 13 in 4lp6

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Zinc binding site 4 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn305

b:71.6
occ:0.75
 O A:HOH467 2.0 52.1 0.8
O A:HOH468 2.0 52.7 0.8
O A:HOH466 2.0 52.9 0.8
O A:HOH469 2.0 51.8 0.8
NE2 A:HIS17 2.1 66.9 1.0
CE1 A:HIS17 3.0 66.9 1.0
CD2 A:HIS17 3.1 59.3 1.0
ND1 A:HIS17 4.1 58.7 1.0
CG A:HIS17 4.2 60.1 1.0
CG A:LYS18 4.5 59.7 1.0

Zinc binding site 5 out of 13 in 4lp6

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Zinc binding site 5 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn306

b:55.5
occ:1.00
 O A:HOH432 2.0 49.4 1.0
OD2 A:ASP34 2.1 61.3 1.0
OD1 A:ASP34 2.1 59.7 1.0
CG A:ASP34 2.5 52.1 1.0
CB A:ASP34 4.1 52.5 1.0
CB A:HIS36 4.1 47.0 1.0
CG A:HIS36 4.5 50.3 1.0

Zinc binding site 6 out of 13 in 4lp6

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Zinc binding site 6 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn307

b:64.3
occ:1.00
 O A:HOH431 1.8 42.0 1.0
ND1 A:HIS36 2.1 57.9 1.0
CE1 A:HIS36 3.1 54.2 1.0
CG A:HIS36 3.1 50.3 1.0
CB A:HIS36 3.5 47.0 1.0
NE2 A:HIS36 4.2 50.9 1.0
CD2 A:HIS36 4.2 50.9 1.0
CA A:HIS36 4.9 51.9 1.0

Zinc binding site 7 out of 13 in 4lp6

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Zinc binding site 7 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn308

b:75.8
occ:1.00
 O A:HOH483 2.0 60.0 1.0
O A:HOH484 2.0 69.6 1.0
OD1 A:ASP72 2.0 49.8 1.0
CG A:ASP72 3.0 38.4 1.0
OD2 A:ASP72 3.4 40.6 1.0
N A:ASP72 4.3 37.0 1.0
O A:HOH454 4.3 48.2 1.0
CB A:ASP72 4.4 39.2 1.0
C A:ASP72 4.6 36.7 1.0
CA A:ASP72 4.7 36.1 1.0
O A:PHE70 4.8 35.0 1.0
N A:SER73 4.8 38.8 1.0
O A:ASP72 4.9 35.5 1.0

Zinc binding site 8 out of 13 in 4lp6

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Zinc binding site 8 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn309

b:64.9
occ:1.00
 O A:HOH477 2.0 41.1 1.0
OE1 A:GLU238 2.1 48.4 1.0
OE2 A:GLU238 2.2 43.2 1.0
CD A:GLU238 2.5 40.2 1.0
CG A:GLU238 4.0 43.4 1.0
O A:HOH464 4.6 46.0 1.0
O A:HOH478 4.7 45.6 1.0
CB A:GLU238 4.9 43.4 1.0

Zinc binding site 9 out of 13 in 4lp6

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Zinc binding site 9 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn310

b:28.9
occ:1.00
 NAD A:Q4I301 1.9 25.1 1.0
NE2 A:HIS94 2.0 31.0 1.0
ND1 A:HIS119 2.0 29.9 1.0
NE2 A:HIS96 2.1 28.6 1.0
CE1 A:HIS119 2.9 33.6 1.0
SDS A:Q4I301 2.9 30.4 1.0
CE1 A:HIS94 3.0 30.6 1.0
OAM A:Q4I301 3.0 27.7 1.0
CD2 A:HIS94 3.0 29.0 1.0
CD2 A:HIS96 3.1 29.5 1.0
CE1 A:HIS96 3.1 27.8 1.0
CG A:HIS119 3.2 36.0 1.0
CB A:HIS119 3.6 33.7 1.0
OG1 A:THR198 3.8 29.3 1.0
OE1 A:GLU106 4.0 34.0 1.0
CCX A:Q4I301 4.1 29.6 1.0
NE2 A:HIS119 4.1 36.8 1.0
ND1 A:HIS94 4.1 29.3 1.0
OAL A:Q4I301 4.1 27.8 1.0
CG A:HIS94 4.2 28.0 1.0
CD2 A:HIS119 4.2 35.6 1.0
ND1 A:HIS96 4.2 28.9 1.0
CG A:HIS96 4.2 26.9 1.0
CBD A:Q4I301 4.6 26.0 1.0
CBE A:Q4I301 4.9 28.2 1.0
CD A:GLU106 5.0 36.5 1.0

Zinc binding site 10 out of 13 in 4lp6

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Zinc binding site 10 out of 13 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Quinoline Oligoamide Foldamer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn302

b:51.7
occ:1.00
 O B:HOH453 2.0 57.5 1.0
OAF A:Q4I301 2.0 46.1 1.0
NE2 B:HIS64 2.0 46.7 1.0
OAO A:Q4I301 2.1 47.6 1.0
NE2 B:HIS4 2.1 66.2 1.0
CE1 B:HIS4 2.3 66.8 1.0
CCN A:Q4I301 2.4 42.6 1.0
CD2 B:HIS64 3.0 43.0 1.0
CE1 B:HIS64 3.0 43.8 1.0
CD2 B:HIS4 3.5 63.3 1.0
ND1 B:HIS4 3.6 66.4 1.0
CBK A:Q4I301 3.7 39.1 1.0
CCY A:Q4I301 3.8 41.6 1.0
CCV A:Q4I301 3.9 44.6 1.0
OAP A:Q4I301 3.9 45.7 1.0
ND1 B:HIS64 4.1 41.9 1.0
CG B:HIS64 4.2 39.5 1.0
CG B:HIS4 4.2 68.4 1.0
O B:ASN62 4.2 43.5 1.0
NE1 B:TRP5 4.3 45.4 1.0
CCZ A:Q4I301 4.5 47.2 1.0
CBL A:Q4I301 4.5 35.0 1.0
CE2 B:TRP5 4.5 44.6 1.0
CZ2 B:TRP5 4.6 43.9 1.0
NBY A:Q4I301 4.7 38.3 1.0
CDJ A:Q4I301 4.7 40.2 1.0

Reference:

J.Buratto, C.Colombo, M.Stupfel, S.J.Dawson, C.Dolain, B.Langlois D'estaintot, L.Fischer, T.Granier, M.Laguerre, B.Gallois, I.Huc. Structure of A Complex Formed By A Protein and A Helical Aromatic Oligoamide Foldamer at 2.1 Angstrom Resolution. Angew.Chem.Int.Ed.Engl. V. 53 883 2014.
ISSN: ISSN 1433-7851
PubMed: 24288253
DOI: 10.1002/ANIE.201309160
Page generated: Sun Oct 27 02:03:46 2024

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