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Zinc in PDB 4on1: Crystal Structure of Metalloproteinase-II From Bacteroides Fragilis

Protein crystallography data

The structure of Crystal Structure of Metalloproteinase-II From Bacteroides Fragilis, PDB code: 4on1 was solved by A.E.Aleshin, R.C.Liddington, S.A.Shiryaev, A.Y.Strongin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.32 / 2.13
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.424, 114.395, 140.213, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 20

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Metalloproteinase-II From Bacteroides Fragilis (pdb code 4on1). 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 Metalloproteinase-II From Bacteroides Fragilis, PDB code: 4on1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4on1

Go back to Zinc Binding Sites List in 4on1
Zinc binding site 1 out of 2 in the Crystal Structure of Metalloproteinase-II From Bacteroides Fragilis


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 Metalloproteinase-II From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:19.9
occ:1.00
NE2 A:HIS361 2.0 21.7 1.0
NE2 A:HIS355 2.0 14.0 1.0
NE2 A:HIS351 2.0 13.7 1.0
OD2 A:ASP193 2.2 28.9 1.0
OD1 A:ASP193 2.3 21.3 1.0
CG A:ASP193 2.5 18.9 1.0
CD2 A:HIS351 2.9 13.8 1.0
CD2 A:HIS361 3.0 17.0 1.0
CE1 A:HIS361 3.0 17.9 1.0
CD2 A:HIS355 3.0 14.3 1.0
CE1 A:HIS355 3.0 23.6 1.0
CE1 A:HIS351 3.1 21.6 1.0
CG2 A:ILE191 3.6 48.3 1.0
ND1 A:HIS361 4.0 26.9 1.0
CB A:ASP193 4.1 18.4 1.0
CG A:HIS361 4.1 23.1 1.0
CG A:HIS351 4.1 15.4 1.0
ND1 A:HIS355 4.1 14.4 1.0
CG A:HIS355 4.1 14.0 1.0
ND1 A:HIS351 4.1 16.3 1.0
CD2 A:TYR194 4.5 24.7 1.0
CB A:ILE191 4.5 61.0 1.0
O A:HOH651 4.5 41.3 1.0
O A:HOH573 4.5 34.9 1.0
CE2 A:TYR194 4.5 26.2 1.0
CE A:MET369 4.6 17.6 1.0
N A:ASP193 4.9 35.3 1.0
CA A:ASP193 4.9 19.5 1.0

Zinc binding site 2 out of 2 in 4on1

Go back to Zinc Binding Sites List in 4on1
Zinc binding site 2 out of 2 in the Crystal Structure of Metalloproteinase-II From Bacteroides Fragilis


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 Metalloproteinase-II From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn400

b:18.8
occ:1.00
NE2 B:HIS361 2.0 20.4 1.0
NE2 B:HIS351 2.0 15.6 1.0
NE2 B:HIS355 2.0 13.8 1.0
OD1 B:ASP193 2.2 23.4 1.0
OD2 B:ASP193 2.2 26.2 1.0
CG B:ASP193 2.5 21.5 1.0
CD2 B:HIS351 2.9 12.5 1.0
CE1 B:HIS361 2.9 19.2 1.0
CD2 B:HIS355 2.9 12.8 1.0
CD2 B:HIS361 3.0 15.3 1.0
CE1 B:HIS355 3.0 20.5 1.0
CE1 B:HIS351 3.1 17.9 1.0
CG2 B:ILE191 3.4 48.0 1.0
ND1 B:HIS361 4.0 24.9 1.0
CB B:ASP193 4.1 21.6 1.0
CG B:HIS361 4.1 20.5 1.0
CG B:HIS351 4.1 15.7 1.0
ND1 B:HIS351 4.1 18.4 1.0
CG B:HIS355 4.1 12.8 1.0
ND1 B:HIS355 4.1 15.7 1.0
CD2 B:TYR194 4.3 23.3 1.0
CE2 B:TYR194 4.3 25.9 1.0
CB B:ILE191 4.4 58.6 1.0
CE B:MET369 4.7 14.2 1.0
N B:ASP193 4.7 35.0 1.0
O B:HOH537 4.8 32.4 1.0
CA B:ASP193 4.9 22.6 1.0

Reference:

S.A.Shiryaev, A.E.Aleshin, N.Muranaka, M.Kukreja, D.A.Routenberg, A.G.Remacle, R.C.Liddington, P.Cieplak, I.A.Kozlov, A.Y.Strongin. Structural and Functional Diversity of Metalloproteinases Encoded By the Bacteroides Fragilis Pathogenicity Island. Febs J. V. 281 2487 2014.
ISSN: ISSN 1742-464X
PubMed: 24698179
DOI: 10.1111/FEBS.12804
Page generated: Wed Dec 16 05:39:17 2020

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