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Zinc in PDB 4bxk: Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor

Enzymatic activity of Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor

All present enzymatic activity of Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor:
3.4.15.1;

Protein crystallography data

The structure of Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor, PDB code: 4bxk was solved by R.G.Douglas, R.K.Sharma, G.Masuyer, L.Lubbe, I.Zamora, K.R.Acharya, K.Chibale, E.D.Sturrock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.69 / 2.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 73.142, 77.255, 82.866, 88.43, 64.28, 75.29
R / Rfree (%) 18.653 / 21.965

Other elements in 4bxk:

The structure of Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor (pdb code 4bxk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor, PDB code: 4bxk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4bxk

Go back to Zinc Binding Sites List in 4bxk
Zinc binding site 1 out of 2 in the Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor


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 the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1620

b:17.6
occ:1.00
 OAH A:1IU1001 2.0 18.4 1.0
OE1 A:GLU389 2.0 18.2 1.0
NE2 A:HIS365 2.1 15.5 1.0
NE2 A:HIS361 2.1 17.4 1.0
OAI A:1IU1001 2.5 18.8 1.0
PBG A:1IU1001 2.7 19.3 1.0
CD A:GLU389 2.9 18.3 1.0
CE1 A:HIS365 2.9 15.6 1.0
CE1 A:HIS361 3.1 17.3 1.0
CD2 A:HIS361 3.1 17.2 1.0
CD2 A:HIS365 3.2 15.8 1.0
OE2 A:GLU389 3.2 17.5 1.0
NAV A:1IU1001 4.0 20.9 1.0
CAQ A:1IU1001 4.1 19.0 1.0
CBC A:1IU1001 4.1 18.9 1.0
ND1 A:HIS365 4.1 16.0 1.0
CBF A:1IU1001 4.2 19.9 1.0
ND1 A:HIS361 4.2 17.2 1.0
CE1 A:TYR501 4.2 14.8 1.0
CG A:HIS361 4.2 16.9 1.0
CG A:HIS365 4.3 16.0 1.0
OH A:TYR501 4.3 15.2 1.0
CG A:GLU389 4.4 18.5 1.0
O A:HOH2170 4.4 18.6 1.0
CAP A:1IU1001 4.6 24.6 1.0
CA A:GLU389 4.7 19.1 1.0
CAZ A:1IU1001 4.7 22.6 1.0
CZ A:TYR501 4.7 15.0 1.0
CB A:GLU389 4.7 18.9 1.0
CAY A:1IU1001 4.8 18.9 1.0
OE1 A:GLU362 4.8 17.2 1.0
OE2 A:GLU362 4.8 17.1 1.0

Zinc binding site 2 out of 2 in 4bxk

Go back to Zinc Binding Sites List in 4bxk
Zinc binding site 2 out of 2 in the Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor


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 the Angiotensin-1 Converting Enzyme N- Domain in Complex with A Domain-Specific Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1619

b:14.2
occ:1.00
 OE1 B:GLU389 2.1 14.7 1.0
NE2 B:HIS365 2.1 15.6 1.0
OAH B:1IU1001 2.1 15.7 1.0
NE2 B:HIS361 2.1 15.3 1.0
OAI B:1IU1001 2.4 14.6 1.0
PBG B:1IU1001 2.8 15.6 1.0
CE1 B:HIS365 2.8 15.6 1.0
CD B:GLU389 3.0 14.9 1.0
CE1 B:HIS361 3.1 15.8 1.0
CD2 B:HIS361 3.1 15.2 1.0
OE2 B:GLU389 3.2 14.4 1.0
CD2 B:HIS365 3.3 15.9 1.0
NAV B:1IU1001 4.0 17.7 1.0
ND1 B:HIS365 4.0 15.9 1.0
CE1 B:TYR501 4.1 14.0 1.0
CBC B:1IU1001 4.1 15.6 1.0
CAQ B:1IU1001 4.2 15.6 1.0
ND1 B:HIS361 4.2 15.8 1.0
CBF B:1IU1001 4.2 16.6 1.0
CG B:HIS361 4.2 15.4 1.0
OH B:TYR501 4.3 13.7 1.0
CG B:HIS365 4.3 15.7 1.0
CG B:GLU389 4.4 15.3 1.0
O B:HOH2117 4.4 17.0 1.0
CAP B:1IU1001 4.5 21.2 1.0
CA B:GLU389 4.6 16.3 1.0
CZ B:TYR501 4.7 13.9 1.0
CB B:GLU389 4.7 15.7 1.0
CAY B:1IU1001 4.8 15.4 1.0
CAZ B:1IU1001 4.8 19.1 1.0
OE1 B:GLU362 4.9 15.2 1.0
OE2 B:GLU362 4.9 15.4 1.0

Reference:

R.G.Douglas, R.K.Sharma, G.Masuyer, L.Lubbe, I.Zamora, K.R.Acharya, K.Chibale, E.D.Sturrock. Fragment-Based Design For the Development of N-Domain Selective Angiotensin-1 Converting Enzyme Inhibitors Clin.Sci. V. 126 305 2014.
ISSN: ISSN 0143-5221
PubMed: 24015848
DOI: 10.1042/CS20130403
Page generated: Sat Oct 26 20:08:02 2024

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