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Chlorine in PDB 2vus: Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex

Protein crystallography data

The structure of Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex, PDB code: 2vus was solved by M.Kotaka, C.Johnson, H.K.Lamb, A.R.Hawkins, J.Ren, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.97 / 2.6
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 228.788, 228.788, 222.296, 90.00, 90.00, 120.00
R / Rfree (%) 24.2 / 30.6

Other elements in 2vus:

The structure of Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex also contains other interesting chemical elements:

Zinc (Zn) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex (pdb code 2vus). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex, PDB code: 2vus:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2vus

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Chlorine binding site 1 out of 7 in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex


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 Unliganded Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1354

b:58.8
occ:1.00
 OG1 A:THR14 2.8 40.7 1.0
N A:THR14 3.5 5.9 1.0
CA A:ASN12 3.5 21.4 1.0
C A:ASN12 3.6 13.9 1.0
N A:ALA13 3.7 17.8 1.0
N A:HIS37 3.7 24.3 1.0
CA A:VAL36 3.7 17.0 1.0
CB A:THR14 3.8 11.1 1.0
OD1 A:ASN12 3.8 50.2 1.0
CG1 A:VAL36 3.8 9.0 1.0
CG2 A:THR14 3.9 4.2 1.0
CB A:VAL36 4.1 16.9 1.0
CD2 A:HIS37 4.1 79.4 1.0
O A:GLN35 4.2 26.4 1.0
O A:ASN12 4.2 12.9 1.0
CA A:THR14 4.2 19.4 1.0
C A:VAL36 4.2 18.7 1.0
CG A:ASN12 4.3 45.6 1.0
C A:ALA13 4.5 13.8 1.0
N A:ASN12 4.5 20.5 1.0
CB A:ASN12 4.5 21.6 1.0
CA A:ALA13 4.5 20.0 1.0
CG A:HIS37 4.5 74.0 1.0
CB A:HIS37 4.7 35.3 1.0
N A:GLY15 4.7 20.8 1.0
CA A:HIS37 4.8 31.1 1.0
N A:VAL36 4.8 20.6 1.0
C A:THR14 4.9 21.6 1.0
NE2 A:GLN35 4.9 16.6 1.0
NE2 A:HIS37 5.0 80.7 1.0
C A:GLN35 5.0 26.6 1.0
CB A:ALA13 5.0 9.4 1.0

Chlorine binding site 2 out of 7 in 2vus

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Chlorine binding site 2 out of 7 in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex


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 Unliganded Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1354

b:49.6
occ:1.00
 OG1 C:THR14 2.7 33.9 1.0
O C:HOH2117 3.2 30.3 1.0
N C:THR14 3.5 13.2 1.0
N C:HIS37 3.6 25.5 1.0
CB C:THR14 3.7 26.6 1.0
CA C:VAL36 3.7 18.4 1.0
CG2 C:THR14 3.7 10.3 1.0
CA C:ASN12 3.8 28.1 1.0
N C:ALA13 3.8 15.7 1.0
C C:ASN12 3.8 17.3 1.0
CD2 C:HIS37 4.0 50.9 1.0
CB C:VAL36 4.0 16.2 1.0
CG1 C:VAL36 4.1 17.0 1.0
CA C:THR14 4.1 15.0 1.0
C C:VAL36 4.2 22.8 1.0
O C:GLN35 4.4 21.9 1.0
O C:ASN12 4.5 10.1 1.0
C C:ALA13 4.5 22.2 1.0
CB C:HIS37 4.5 16.7 1.0
CG C:HIS37 4.6 45.4 1.0
CA C:ALA13 4.6 21.3 1.0
CB C:ASN12 4.7 35.6 1.0
CA C:HIS37 4.7 26.1 1.0
N C:GLY15 4.7 18.3 1.0
N C:ASN12 4.8 23.0 1.0
C C:THR14 4.9 16.5 1.0
OD1 C:ASN12 4.9 69.9 1.0
N C:VAL36 4.9 19.6 1.0
CB C:ALA13 5.0 20.0 1.0

Chlorine binding site 3 out of 7 in 2vus

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Chlorine binding site 3 out of 7 in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1354

b:56.7
occ:1.00
 OG1 D:THR14 3.0 16.5 1.0
ND2 D:ASN12 3.3 70.1 1.0
CA D:ASN12 3.4 20.1 1.0
O D:HOH2030 3.4 17.9 1.0
N D:THR14 3.4 13.6 1.0
C D:ASN12 3.5 16.8 1.0
N D:ALA13 3.5 13.0 1.0
CD2 D:HIS37 3.6 61.9 1.0
CA D:VAL36 3.7 19.9 1.0
N D:HIS37 3.8 24.3 1.0
CB D:THR14 3.9 13.6 1.0
CG2 D:THR14 4.0 4.2 1.0
O D:ASN12 4.1 17.3 1.0
CA D:THR14 4.2 17.0 1.0
CB D:VAL36 4.2 16.1 1.0
O D:GLN35 4.2 26.9 1.0
CG1 D:VAL36 4.2 15.0 1.0
C D:VAL36 4.3 21.9 1.0
CG D:ASN12 4.3 54.7 1.0
CB D:ASN12 4.4 28.5 1.0
NE2 D:HIS37 4.4 60.4 1.0
C D:ALA13 4.4 28.1 1.0
N D:ASN12 4.4 20.4 1.0
CG D:HIS37 4.4 62.9 1.0
CA D:ALA13 4.4 28.3 1.0
O D:HOH2017 4.5 25.9 1.0
N D:GLY15 4.6 10.2 1.0
CB D:HIS37 4.7 41.7 1.0
N D:VAL36 4.8 15.0 1.0
C D:THR14 4.8 15.1 1.0
CA D:HIS37 4.9 26.7 1.0
CB D:ALA13 4.9 21.1 1.0
C D:GLN35 4.9 25.4 1.0

Chlorine binding site 4 out of 7 in 2vus

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Chlorine binding site 4 out of 7 in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1354

b:71.2
occ:1.00
 OG1 F:THR14 3.0 28.6 1.0
N F:THR14 3.4 7.7 1.0
O F:HOH2029 3.4 24.2 1.0
CA F:ASN12 3.5 18.7 1.0
N F:ALA13 3.5 7.8 1.0
C F:ASN12 3.5 11.6 1.0
CA F:VAL36 3.6 16.9 1.0
N F:HIS37 3.7 28.8 1.0
CG2 F:THR14 3.7 5.5 1.0
CB F:THR14 3.8 14.0 1.0
CG1 F:VAL36 4.0 10.8 1.0
CB F:VAL36 4.1 25.0 1.0
O F:GLN35 4.1 25.6 1.0
CA F:THR14 4.1 4.2 1.0
OD1 F:ASN12 4.2 66.2 1.0
C F:VAL36 4.2 21.0 1.0
O F:ASN12 4.2 24.0 1.0
C F:ALA13 4.3 11.0 1.0
CA F:ALA13 4.3 15.4 1.0
CB F:ASN12 4.4 19.4 1.0
N F:ASN12 4.4 24.0 1.0
CG F:ASN12 4.6 47.0 1.0
N F:GLY15 4.7 15.8 1.0
N F:VAL36 4.7 16.1 1.0
CB F:HIS37 4.8 9.1 1.0
C F:GLN35 4.8 18.5 1.0
CA F:HIS37 4.8 24.6 1.0
C F:THR14 4.9 12.6 1.0
CB F:ALA13 4.9 14.6 1.0

Chlorine binding site 5 out of 7 in 2vus

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Chlorine binding site 5 out of 7 in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1354

b:37.8
occ:1.00
 OG1 G:THR14 2.9 44.6 1.0
CD2 G:HIS37 3.4 57.6 1.0
CA G:ASN12 3.4 22.9 1.0
O G:HOH2008 3.5 31.2 1.0
N G:THR14 3.6 19.0 1.0
C G:ASN12 3.6 15.2 1.0
N G:ALA13 3.7 21.5 1.0
N G:HIS37 3.7 15.5 1.0
CA G:VAL36 3.8 10.6 1.0
CB G:THR14 3.9 29.9 1.0
CG2 G:THR14 3.9 4.2 1.0
NE2 G:HIS37 4.2 62.1 1.0
CG G:HIS37 4.2 43.7 1.0
C G:VAL36 4.2 13.2 1.0
CG1 G:VAL36 4.2 9.9 1.0
O G:ASN12 4.2 20.6 1.0
CB G:VAL36 4.3 17.7 1.0
CA G:THR14 4.3 14.2 1.0
O G:GLN35 4.3 17.5 1.0
CB G:ASN12 4.3 32.1 1.0
OD1 G:ASN12 4.4 57.5 1.0
N G:ASN12 4.5 16.0 1.0
CB G:HIS37 4.5 26.3 1.0
CA G:ALA13 4.5 25.6 1.0
C G:ALA13 4.5 24.0 1.0
N G:GLY15 4.7 19.3 1.0
CA G:HIS37 4.7 24.5 1.0
CG G:ASN12 4.8 41.7 1.0
N G:VAL36 4.8 12.0 1.0
OE1 G:GLN35 4.9 27.2 1.0
C G:THR14 5.0 20.0 1.0
C G:GLN35 5.0 16.0 1.0
CB G:ALA13 5.0 24.3 1.0

Chlorine binding site 6 out of 7 in 2vus

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Chlorine binding site 6 out of 7 in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1355

b:41.2
occ:1.00
 O G:HOH2147 2.7 20.7 1.0
NE2 A:HIS214 3.2 35.8 1.0
ND1 G:HIS214 3.5 21.3 1.0
O G:HOH2191 3.5 19.2 1.0
N G:ARG215 3.6 13.2 1.0
O G:ARG215 3.7 27.3 1.0
CA G:HIS214 3.9 7.9 1.0
CE1 A:HIS214 3.9 14.5 1.0
CG G:HIS214 3.9 32.6 1.0
CB G:HIS214 4.0 8.6 1.0
CD2 A:HIS214 4.1 31.5 1.0
O A:LYS210 4.2 30.6 1.0
C G:HIS214 4.3 13.8 1.0
CE1 G:HIS214 4.3 39.0 1.0
C G:ARG215 4.5 18.0 1.0
CA G:ARG215 4.6 11.3 1.0
CB G:ARG215 4.8 6.5 1.0
CD2 G:HIS214 4.9 36.5 1.0
O A:ASN212 4.9 21.7 1.0

Chlorine binding site 7 out of 7 in 2vus

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Chlorine binding site 7 out of 7 in the Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Unliganded Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1354

b:44.9
occ:1.00
 OG1 H:THR14 2.8 36.2 1.0
CA H:ASN12 3.5 19.6 1.0
CD2 H:HIS37 3.7 57.0 1.0
OD1 H:ASN12 3.7 42.9 1.0
C H:ASN12 3.7 19.5 1.0
N H:THR14 3.7 16.9 1.0
N H:ALA13 3.9 15.4 1.0
CB H:THR14 3.9 16.5 1.0
N H:HIS37 4.0 21.9 1.0
CB H:ASN12 4.2 16.5 1.0
CG2 H:THR14 4.2 16.6 1.0
O H:ASN12 4.2 22.0 1.0
CA H:VAL36 4.2 10.0 1.0
CA H:THR14 4.3 17.6 1.0
CG H:ASN12 4.4 34.2 1.0
CG H:HIS37 4.4 51.9 1.0
CG1 H:VAL36 4.5 5.3 1.0
N H:GLY15 4.5 23.1 1.0
N H:ASN12 4.6 8.8 1.0
NE2 H:HIS37 4.6 44.2 1.0
CB H:HIS37 4.6 20.3 1.0
C H:VAL36 4.6 16.5 1.0
O H:GLN35 4.7 23.0 1.0
C H:ALA13 4.7 24.2 1.0
CB H:VAL36 4.7 5.5 1.0
CA H:ALA13 4.8 23.6 1.0
C H:THR14 4.8 23.3 1.0
CA H:HIS37 4.9 24.5 1.0

Reference:

M.Kotaka, C.Johnson, H.K.Lamb, A.R.Hawkins, J.Ren, D.K.Stammers. Structural Analysis of the Recognition of the Negative Regulator Nmra and Dna By the Zinc Finger From the Gata-Type Transcription Factor Area. J.Mol.Biol. V. 381 373 2008.
ISSN: ISSN 0022-2836
PubMed: 18602114
DOI: 10.1016/J.JMB.2008.05.077
Page generated: Sat Jul 20 12:15:47 2024

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