Atomistry » Chlorine » PDB 2kug-2nwh » 2nui
Atomistry »
  Chlorine »
    PDB 2kug-2nwh »
      2nui »

Chlorine in PDB 2nui: X-Ray Structure of Synthetic [D83A]Rnase A

Enzymatic activity of X-Ray Structure of Synthetic [D83A]Rnase A

All present enzymatic activity of X-Ray Structure of Synthetic [D83A]Rnase A:
3.1.27.5;

Protein crystallography data

The structure of X-Ray Structure of Synthetic [D83A]Rnase A, PDB code: 2nui was solved by D.J.Boerema, V.A.Tereshko, S.B.H.Kent, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.10
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 63.590, 63.590, 63.365, 90.00, 90.00, 120.00
R / Rfree (%) 17.7 / 19.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Synthetic [D83A]Rnase A (pdb code 2nui). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of Synthetic [D83A]Rnase A, PDB code: 2nui:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2nui

Go back to Chlorine Binding Sites List in 2nui
Chlorine binding site 1 out of 3 in the X-Ray Structure of Synthetic [D83A]Rnase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Synthetic [D83A]Rnase A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:13.3
occ:1.00
O A:HOH287 2.9 23.0 1.0
O A:HOH294 3.2 24.7 1.0
N A:THR45 3.3 7.9 1.0
CE1 A:HIS12 3.5 9.1 1.0
CA A:ASN44 3.6 8.5 1.0
CD1 A:PHE120 3.8 12.9 1.0
C A:ASN44 3.9 8.3 1.0
O A:HOH301 4.0 26.9 1.0
O A:HOH346 4.0 41.0 1.0
CB A:THR45 4.1 8.5 1.0
ND1 A:HIS12 4.1 9.1 1.0
OG1 A:THR45 4.1 12.3 1.0
O A:VAL43 4.2 11.1 1.0
CA A:THR45 4.2 7.8 1.0
N A:ASN44 4.2 9.0 1.0
OD1 A:ASN44 4.3 11.1 1.0
CB A:PHE120 4.3 11.7 1.0
CG A:PHE120 4.3 11.3 1.0
NE2 A:HIS12 4.4 9.5 1.0
C A:VAL43 4.5 9.6 1.0
NZ A:LYS41 4.5 18.7 1.0
CE1 A:PHE120 4.6 13.9 1.0
O A:PHE120 4.6 12.4 1.0
CG1 A:VAL43 4.7 13.9 1.0
CG A:ASN44 4.7 8.9 1.0
CB A:ASN44 4.7 9.1 1.0
O A:THR45 4.8 8.1 1.0

Chlorine binding site 2 out of 3 in 2nui

Go back to Chlorine Binding Sites List in 2nui
Chlorine binding site 2 out of 3 in the X-Ray Structure of Synthetic [D83A]Rnase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Synthetic [D83A]Rnase A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:11.7
occ:1.00
O A:HOH333 3.0 36.0 1.0
ND2 A:ASN34 3.2 15.3 1.0
CD A:ARG10 3.4 9.9 1.0
NE A:ARG10 3.8 9.9 1.0
CB A:ASN34 3.9 12.5 1.0
CG A:ASN34 4.0 13.7 1.0
CZ A:ARG10 4.3 11.2 1.0
NH1 A:ARG10 4.4 13.8 1.0
O A:ARG33 4.6 11.1 1.0
CG A:ARG10 4.8 8.8 1.0
O A:HOH323 4.9 31.5 1.0

Chlorine binding site 3 out of 3 in 2nui

Go back to Chlorine Binding Sites List in 2nui
Chlorine binding site 3 out of 3 in the X-Ray Structure of Synthetic [D83A]Rnase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Synthetic [D83A]Rnase A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:27.1
occ:1.00
N A:ALA4 3.2 10.4 1.0
O A:HOH227 3.3 13.1 1.0
CA A:THR3 3.7 9.8 1.0
CB A:THR3 3.8 11.2 1.0
CB A:ALA4 3.9 11.9 1.0
C A:THR3 3.9 9.6 1.0
O A:HOH354 4.1 45.9 1.0
CA A:ALA4 4.1 10.2 1.0
CG2 A:THR3 4.5 12.3 1.0
OG1 A:THR3 4.9 10.6 1.0
N A:ALA5 5.0 8.8 1.0

Reference:

D.J.Boerema, V.A.Tereshko, S.B.Kent. Total Synthesis By Modern Chemical Ligation Methods and High Resolution (1.1 A) X-Ray Structure of Ribonuclease A Biopolymers V. 90 278 2008.
ISSN: ISSN 0006-3525
PubMed: 17610259
DOI: 10.1002/BIP.20800
Page generated: Thu Jul 10 23:20:20 2025

Last articles

Cl in 3A6H
Cl in 3A4P
Cl in 363D
Cl in 3A34
Cl in 3A2N
Cl in 3A2M
Cl in 3A2L
Cl in 3A2A
Cl in 2ZY4
Cl in 3A0O
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy