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Chlorine in PDB 2evm: Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid

Enzymatic activity of Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid:
3.4.11.18;

Protein crystallography data

The structure of Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid, PDB code: 2evm was solved by W.-J.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 37.800, 60.200, 50.400, 90.00, 104.50, 90.00
R / Rfree (%) 21.5 / 24.8

Other elements in 2evm:

The structure of Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid also contains other interesting chemical elements:

Manganese (Mn) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid (pdb code 2evm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid, PDB code: 2evm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2evm

Go back to Chlorine Binding Sites List in 2evm
Chlorine binding site 1 out of 2 in the Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:1.3
occ:1.00
 CL1 A:FC2999 0.0 1.3 1.0
C2 A:FC2999 1.7 11.6 1.0
C3 A:FC2999 2.7 14.5 1.0
C1 A:FC2999 2.8 13.1 1.0
CG A:FC2999 3.1 12.0 1.0
CD A:FC2999 3.2 13.7 1.0
CG A:TYR65 3.5 16.7 1.0
CB A:TYR65 3.7 15.2 1.0
CD1 A:TYR65 3.8 15.7 1.0
CD2 A:TYR65 4.0 15.8 1.0
SG A:CYS70 4.0 11.7 1.0
C4 A:FC2999 4.0 15.9 1.0
C6 A:FC2999 4.1 15.2 1.0
CB A:CYS59 4.2 18.2 1.0
CE1 A:TYR65 4.4 15.7 1.0
OA A:FC2999 4.4 13.1 1.0
SG A:CYS59 4.5 20.6 1.0
CB A:FC2999 4.5 9.8 1.0
O A:CYS59 4.5 16.0 1.0
CD2 A:TYR62 4.5 22.2 1.0
C5 A:FC2999 4.6 16.9 1.0
CE2 A:TYR65 4.6 16.1 1.0
CA A:CYS59 4.6 16.1 1.0
O A:TYR62 4.6 21.8 1.0
CZ A:TYR65 4.8 18.0 1.0
CB A:TYR62 4.8 22.6 1.0
CZ3 A:TRP221 4.8 20.7 1.0
CD2 A:HIS79 4.9 13.8 1.0

Chlorine binding site 2 out of 2 in 2evm

Go back to Chlorine Binding Sites List in 2evm
Chlorine binding site 2 out of 2 in the Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Methionine Aminopeptidase in Complex with 5-(2,5-Dichlorophenyl)Furan-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:9.4
occ:1.00
 CL2 A:FC2999 0.0 9.4 1.0
C5 A:FC2999 1.7 16.9 1.0
C6 A:FC2999 2.7 15.2 1.0
C4 A:FC2999 2.7 15.9 1.0
O A:HOH1175 3.7 25.6 1.0
CD2 A:HIS63 3.8 32.7 1.0
C1 A:FC2999 4.0 13.1 1.0
NE2 A:HIS63 4.0 31.7 1.0
C3 A:FC2999 4.0 14.5 1.0
CE2 A:TYR62 4.3 23.1 1.0
CG A:HIS63 4.3 31.4 1.0
C2 A:FC2999 4.6 11.6 1.0
CE1 A:HIS63 4.7 33.1 1.0
ND1 A:HIS63 4.9 33.8 1.0
CD2 A:TYR62 4.9 22.2 1.0
CB A:HIS63 5.0 28.6 1.0
CE1 A:HIS178 5.0 20.9 1.0

Reference:

S.X.Xie, W.J.Huang, Z.Q.Ma, M.Huang, R.P.Hanzlik, Q.Z.Ye. Structural Analysis of Metalloform-Selective Inhibition of Methionine Aminopeptidase. Acta Crystallogr.,Sect.D V. 62 425 2006.
ISSN: ISSN 0907-4449
PubMed: 16552144
DOI: 10.1107/S0907444906003878
Page generated: Sat Jul 20 06:52:48 2024

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