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Chlorine in PDB 2vut: Crystal Structure of Nad-Bound Nmra-Area Zinc Finger Complex

Protein crystallography data

The structure of Crystal Structure of Nad-Bound Nmra-Area Zinc Finger Complex, PDB code: 2vut 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) 29.86 / 2.3
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 227.520, 227.520, 222.570, 90.00, 90.00, 120.00
R / Rfree (%) 21.5 / 27.4

Other elements in 2vut:

The structure of Crystal Structure of Nad-Bound 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 Nad-Bound Nmra-Area Zinc Finger Complex (pdb code 2vut). 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 Nad-Bound Nmra-Area Zinc Finger Complex, PDB code: 2vut:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2vut

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Chlorine binding site 1 out of 7 in the Crystal Structure of Nad-Bound 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 Nad-Bound Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1354

b:67.3
occ:1.00
 OG1 A:THR14 2.7 43.1 1.0
N A:THR14 3.4 21.3 1.0
ND2 A:ASN12 3.5 60.2 1.0
N A:HIS37 3.5 26.0 1.0
O A:HOH2007 3.5 42.5 1.0
CB A:THR14 3.6 27.6 1.0
CA A:VAL36 3.7 20.0 1.0
CG2 A:THR14 3.7 16.2 1.0
C A:ASN12 3.7 19.7 1.0
CA A:ASN12 3.8 22.2 1.0
N A:ALA13 3.8 18.5 1.0
CA A:THR14 4.1 23.2 1.0
CB A:VAL36 4.1 25.2 1.0
O4B A:NAD1353 4.1 0.0 1.0
C A:VAL36 4.1 23.8 1.0
O A:ASN12 4.2 17.0 1.0
CB A:HIS37 4.4 44.9 1.0
C A:ALA13 4.4 24.1 1.0
CG1 A:VAL36 4.4 37.5 1.0
C1B A:NAD1353 4.5 0.2 1.0
O A:GLN35 4.5 23.4 1.0
C8A A:NAD1353 4.5 0.4 1.0
CA A:HIS37 4.5 34.7 1.0
CA A:ALA13 4.5 24.0 1.0
CG A:ASN12 4.6 50.3 1.0
N9A A:NAD1353 4.6 0.6 1.0
N A:GLY15 4.7 22.2 1.0
N A:ASN12 4.7 16.8 1.0
CB A:ASN12 4.7 26.8 1.0
C A:THR14 4.8 28.5 1.0
N A:VAL36 4.9 26.3 1.0

Chlorine binding site 2 out of 7 in 2vut

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Chlorine binding site 2 out of 7 in the Crystal Structure of Nad-Bound 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 Nad-Bound Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1354

b:55.8
occ:1.00
 OG1 C:THR14 2.9 28.9 1.0
N C:HIS37 3.1 31.8 1.0
ND2 C:ASN12 3.3 33.5 1.0
N C:THR14 3.6 16.7 1.0
CA C:VAL36 3.6 27.2 1.0
CA C:ASN12 3.8 19.9 1.0
C C:ASN12 3.8 19.9 1.0
CB C:HIS37 3.8 38.9 1.0
C C:VAL36 3.8 27.4 1.0
CB C:THR14 3.8 25.4 1.0
N C:ALA13 3.9 26.6 1.0
O4B C:NAD1355 4.0 0.4 1.0
C8A C:NAD1355 4.0 0.6 1.0
CG2 C:THR14 4.0 13.6 1.0
CA C:HIS37 4.0 30.9 1.0
CB C:VAL36 4.1 28.5 1.0
CA C:THR14 4.3 16.7 1.0
O C:ASN12 4.4 7.8 1.0
CG C:ASN12 4.4 46.3 1.0
N9A C:NAD1355 4.4 0.4 1.0
O C:HOH2028 4.4 28.8 1.0
C1B C:NAD1355 4.6 0.2 1.0
C C:ALA13 4.6 21.7 1.0
O C:GLN35 4.6 13.9 1.0
CA C:ALA13 4.7 27.7 1.0
CB C:ASN12 4.7 27.0 1.0
CG1 C:VAL36 4.7 34.4 1.0
N C:ASN12 4.8 20.2 1.0
N7A C:NAD1355 4.8 0.3 1.0
N C:VAL36 4.8 23.6 1.0
N C:GLY15 4.9 27.1 1.0
C C:THR14 4.9 21.0 1.0
NE2 C:GLN35 4.9 40.2 1.0

Chlorine binding site 3 out of 7 in 2vut

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Chlorine binding site 3 out of 7 in the Crystal Structure of Nad-Bound 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 Nad-Bound Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1353

b:62.0
occ:1.00
 OG1 D:THR14 3.1 32.4 1.0
CA D:ASN12 3.6 21.7 1.0
N D:HIS37 3.6 20.9 1.0
N D:THR14 3.6 25.3 1.0
ND2 D:ASN12 3.6 39.3 1.0
C D:ASN12 3.7 24.7 1.0
CA D:VAL36 3.7 16.9 1.0
ND1 D:HIS37 3.7 76.2 1.0
N D:ALA13 3.7 24.8 1.0
C8A D:NAD1354 3.9 1.0 1.0
CB D:THR14 4.0 29.5 1.0
CB D:VAL36 4.1 25.0 1.0
C D:VAL36 4.2 10.6 1.0
CG2 D:THR14 4.2 16.2 1.0
O4B D:NAD1354 4.3 0.7 1.0
O D:ASN12 4.3 16.9 1.0
O D:HOH2024 4.3 35.4 1.0
CA D:THR14 4.3 24.7 1.0
O D:GLN35 4.4 18.6 1.0
CG D:ASN12 4.5 25.2 1.0
CG1 D:VAL36 4.5 24.9 1.0
N D:ASN12 4.5 23.8 1.0
CB D:ASN12 4.6 24.7 1.0
C D:ALA13 4.6 28.0 1.0
CG D:HIS37 4.6 58.8 1.0
CB D:HIS37 4.6 35.9 1.0
CA D:ALA13 4.6 26.0 1.0
N7A D:NAD1354 4.6 98.2 1.0
N9A D:NAD1354 4.6 0.1 1.0
CE1 D:HIS37 4.6 83.1 1.0
CA D:HIS37 4.7 31.1 1.0
N D:VAL36 4.8 21.6 1.0
N D:GLY15 4.8 17.1 1.0
OE1 D:GLN35 4.9 12.7 1.0
C1B D:NAD1354 4.9 0.7 1.0
C D:THR14 5.0 19.0 1.0

Chlorine binding site 4 out of 7 in 2vut

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Chlorine binding site 4 out of 7 in the Crystal Structure of Nad-Bound 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 Nad-Bound Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1353

b:63.7
occ:1.00
 OG1 E:THR14 2.9 26.6 1.0
OD1 E:ASN12 3.3 66.5 1.0
CA E:ASN12 3.4 22.6 1.0
N E:THR14 3.5 18.4 1.0
C E:ASN12 3.5 21.1 1.0
N E:ALA13 3.7 19.7 1.0
N E:HIS37 3.8 24.6 1.0
CA E:VAL36 3.8 21.5 1.0
CB E:THR14 3.9 14.8 1.0
CG E:ASN12 3.9 61.7 1.0
C1B E:NAD1354 4.1 0.9 1.0
O E:ASN12 4.1 22.8 1.0
O4B E:NAD1354 4.1 0.3 1.0
CG2 E:THR14 4.1 14.2 1.0
CA E:THR14 4.2 14.2 1.0
CB E:ASN12 4.3 21.1 1.0
CB E:VAL36 4.3 23.7 1.0
C E:VAL36 4.3 22.9 1.0
O E:GLN35 4.4 22.3 1.0
C E:ALA13 4.5 17.4 1.0
N E:ASN12 4.5 25.1 1.0
N E:GLY15 4.5 19.9 1.0
CA E:ALA13 4.5 24.6 1.0
N9A E:NAD1354 4.6 0.6 1.0
CD2 E:HIS37 4.6 77.9 1.0
CG1 E:VAL36 4.6 32.8 1.0
C E:THR14 4.7 25.2 1.0
CB E:HIS37 4.8 43.1 1.0
ND2 E:ASN12 4.9 59.0 1.0
N E:VAL36 4.9 24.5 1.0
CA E:HIS37 4.9 34.7 1.0
C4B E:NAD1354 5.0 0.9 1.0

Chlorine binding site 5 out of 7 in 2vut

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Chlorine binding site 5 out of 7 in the Crystal Structure of Nad-Bound 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 Nad-Bound Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1353

b:62.3
occ:1.00
 OG1 F:THR14 2.8 42.7 1.0
ND2 F:ASN12 3.3 48.2 1.0
N F:THR14 3.4 26.2 1.0
N F:HIS37 3.5 20.7 1.0
CB F:THR14 3.6 31.4 1.0
CA F:ASN12 3.7 24.5 1.0
C F:ASN12 3.7 22.9 1.0
CG2 F:THR14 3.7 25.5 1.0
N F:ALA13 3.7 8.0 1.0
CA F:VAL36 3.8 20.6 1.0
C8A F:NAD1354 3.8 0.5 1.0
CA F:THR14 4.0 21.1 1.0
CB F:VAL36 4.2 35.3 1.0
C F:VAL36 4.2 29.0 1.0
CB F:HIS37 4.3 27.0 1.0
O F:ASN12 4.3 19.1 1.0
N7A F:NAD1354 4.4 0.4 1.0
C F:ALA13 4.4 20.8 1.0
CG F:ASN12 4.4 42.5 1.0
O F:GLN35 4.4 26.8 1.0
CG1 F:VAL36 4.4 26.3 1.0
O4B F:NAD1354 4.5 0.6 1.0
CA F:ALA13 4.5 18.1 1.0
CA F:HIS37 4.6 20.3 1.0
CB F:ASN12 4.6 27.4 1.0
N F:GLY15 4.6 25.1 1.0
N9A F:NAD1354 4.7 0.0 1.0
N F:ASN12 4.7 16.5 1.0
C F:THR14 4.7 22.2 1.0
N F:VAL36 4.9 20.4 1.0

Chlorine binding site 6 out of 7 in 2vut

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Chlorine binding site 6 out of 7 in the Crystal Structure of Nad-Bound 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 Nad-Bound Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1354

b:48.9
occ:1.00
 OG1 G:THR14 2.8 28.0 1.0
N G:THR14 3.4 31.0 1.0
CA G:ASN12 3.4 18.7 1.0
N G:HIS37 3.5 16.5 1.0
OD1 G:ASN12 3.5 63.1 1.0
N G:ALA13 3.5 23.3 1.0
C G:ASN12 3.5 17.0 1.0
CA G:VAL36 3.7 21.5 1.0
CB G:THR14 3.7 26.9 1.0
CG2 G:THR14 3.7 10.4 1.0
CA G:THR14 4.1 26.9 1.0
C G:VAL36 4.1 20.1 1.0
CB G:VAL36 4.2 31.8 1.0
O G:ASN12 4.2 19.0 1.0
C8A G:NAD1355 4.2 0.3 1.0
CG1 G:VAL36 4.3 37.7 1.0
CG G:ASN12 4.3 50.5 1.0
O4B G:NAD1355 4.3 0.0 1.0
O G:GLN35 4.3 17.8 1.0
C G:ALA13 4.3 28.0 1.0
CB G:HIS37 4.3 29.4 1.0
CA G:ALA13 4.3 26.2 1.0
CB G:ASN12 4.4 22.5 1.0
N G:ASN12 4.4 18.6 1.0
O G:HOH2034 4.5 35.7 1.0
CA G:HIS37 4.5 26.4 1.0
N G:GLY15 4.7 20.7 1.0
N9A G:NAD1355 4.7 0.3 1.0
N G:VAL36 4.8 23.7 1.0
C G:THR14 4.8 22.9 1.0
N7A G:NAD1355 4.9 0.7 1.0
C1B G:NAD1355 4.9 0.9 1.0
CB G:ALA13 4.9 13.8 1.0
OE1 G:GLN35 5.0 16.3 1.0
C G:GLN35 5.0 22.3 1.0

Chlorine binding site 7 out of 7 in 2vut

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Chlorine binding site 7 out of 7 in the Crystal Structure of Nad-Bound 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 Nad-Bound Nmra-Area Zinc Finger Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1353

b:51.8
occ:1.00
 OG1 H:THR14 2.8 48.7 1.0
ND2 H:ASN12 3.3 61.3 1.0
N H:THR14 3.5 24.4 1.0
CA H:ASN12 3.5 16.5 1.0
N H:HIS37 3.6 24.0 1.0
C H:ASN12 3.6 24.9 1.0
CA H:VAL36 3.7 28.4 1.0
N H:ALA13 3.7 27.1 1.0
CB H:THR14 3.9 30.5 1.0
O4B H:NAD1354 4.0 0.9 1.0
CB H:VAL36 4.0 30.1 1.0
C H:VAL36 4.2 31.1 1.0
CA H:THR14 4.2 25.9 1.0
CG2 H:THR14 4.2 26.7 1.0
CG1 H:VAL36 4.2 34.3 1.0
O H:ASN12 4.2 22.1 1.0
C8A H:NAD1354 4.3 0.4 1.0
CG H:ASN12 4.3 51.7 1.0
O H:GLN35 4.4 26.0 1.0
C1B H:NAD1354 4.4 0.7 1.0
N9A H:NAD1354 4.4 0.9 1.0
C H:ALA13 4.5 30.1 1.0
CB H:ASN12 4.5 22.5 1.0
CA H:ALA13 4.5 22.8 1.0
N H:ASN12 4.5 17.3 1.0
CB H:HIS37 4.6 48.4 1.0
N H:GLY15 4.6 28.4 1.0
CA H:HIS37 4.7 34.7 1.0
C H:THR14 4.8 19.8 1.0
N H:VAL36 4.8 27.6 1.0
O H:HOH2030 4.9 43.4 1.0
OE1 H:GLN35 5.0 24.8 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 Dec 12 09:21:39 2020

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