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Chlorine in PDB 1ti7: Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution

Protein crystallography data

The structure of Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution, PDB code: 1ti7 was solved by H.K.Lamb, K.Leslie, A.L.Dodds, M.Nutley, A.Cooper, C.Johnson, P.Thompson, D.K.Stammers, A.R.Hawkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.92 / 1.70
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 76.390, 76.390, 104.160, 90.00, 90.00, 120.00
R / Rfree (%) 17.3 / 21.7

Other elements in 1ti7:

The structure of Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution also contains other interesting chemical elements:

Potassium (K) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution (pdb code 1ti7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution, PDB code: 1ti7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1ti7

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Chlorine binding site 1 out of 8 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution


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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl384

b:32.9
occ:1.00
 N A:ASN253 2.9 15.9 1.0
CA A:VAL252 3.6 20.9 1.0
CB A:ASN253 3.7 13.4 1.0
CB A:VAL252 3.7 14.9 1.0
C A:VAL252 3.7 16.7 1.0
CG A:ASN253 3.8 21.0 1.0
CA A:ASN253 3.8 16.9 1.0
ND2 A:ASN253 4.1 16.6 1.0
OD1 A:ASN253 4.2 19.2 1.0
CG1 A:VAL252 4.2 16.1 1.0
O A:ASN253 4.6 18.4 1.0
C A:ASN253 4.7 18.6 1.0
O A:VAL252 4.9 17.2 1.0
N A:VAL252 4.9 20.8 1.0
CG2 A:VAL252 5.0 17.4 1.0

Chlorine binding site 2 out of 8 in 1ti7

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Chlorine binding site 2 out of 8 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution


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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl385

b:17.5
occ:1.00
 O A:HOH1333 3.0 48.0 1.0
O A:HOH1051 3.1 37.8 1.0
N A:LYS6 3.2 14.3 1.0
CE1 A:HIS30 3.4 14.9 1.0
CG A:LYS6 3.7 16.6 1.0
CB A:LYS6 3.7 16.1 1.0
CA A:LYS5 3.9 14.4 1.0
CD A:LYS6 3.9 19.1 1.0
C A:LYS5 4.0 16.6 1.0
CA A:LYS6 4.0 16.9 1.0
O A:HOH1370 4.1 50.4 1.0
ND1 A:HIS30 4.2 14.4 1.0
CD1 A:LEU76 4.2 14.2 1.0
CD A:LYS5 4.3 22.9 1.0
NE2 A:HIS30 4.3 20.1 1.0
O A:HOH1060 4.3 35.1 1.0
O A:GLN4 4.4 22.9 1.0
CE A:LYS6 4.6 24.3 1.0
CB A:LYS5 4.6 18.0 1.0
N A:LYS5 4.9 19.3 1.0
O A:LYS6 4.9 17.9 1.0
O A:HOH1047 4.9 22.2 1.0
O A:HOH1070 5.0 16.5 1.0
C A:LYS6 5.0 18.5 1.0

Chlorine binding site 3 out of 8 in 1ti7

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Chlorine binding site 3 out of 8 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution


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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl386

b:29.4
occ:1.00
 NE2 A:GLN166 3.2 14.0 1.0
NZ A:LYS251 3.3 21.6 1.0
OE2 A:GLU168 3.7 48.3 1.0
CD A:LYS251 3.9 24.1 1.0
OE1 A:GLN166 4.0 20.2 1.0
CB A:PRO161 4.0 16.5 1.0
CD A:GLN166 4.0 17.7 1.0
CD A:GLU168 4.2 38.7 1.0
CE A:LYS251 4.2 23.4 1.0
CG A:GLU168 4.3 23.1 1.0
CA A:PRO161 4.6 15.9 1.0
O A:HOH1222 4.8 17.1 1.0

Chlorine binding site 4 out of 8 in 1ti7

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Chlorine binding site 4 out of 8 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution


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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl387

b:32.8
occ:1.00
 O A:HOH1253 2.8 27.0 1.0
O A:HOH1273 3.2 31.1 1.0
N A:TYR276 3.3 18.4 1.0
N A:PHE277 3.3 18.2 1.0
CB A:TYR276 3.7 20.0 1.0
CA A:TYR276 3.9 19.6 1.0
CB A:PRO275 4.0 24.8 1.0
CB A:PHE277 4.0 20.0 1.0
C A:TYR276 4.1 17.4 1.0
CD A:PRO188 4.1 18.0 1.0
C A:PRO275 4.1 19.7 1.0
CA A:PHE277 4.2 23.2 1.0
O A:PHE277 4.2 22.0 1.0
CA A:PRO275 4.2 22.7 1.0
O A:HOH1305 4.4 44.1 1.0
CG A:PRO188 4.4 17.2 1.0
CD2 A:PHE277 4.5 22.2 1.0
C A:PHE277 4.5 20.5 1.0
CG A:PHE277 4.5 21.8 1.0
O A:HOH1379 4.8 44.7 1.0
CG A:TYR276 4.9 15.8 1.0
O A:HOH1345 5.0 44.9 1.0
O A:PRO186 5.0 22.9 1.0

Chlorine binding site 5 out of 8 in 1ti7

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Chlorine binding site 5 out of 8 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution


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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl388

b:37.8
occ:1.00
 O A:HOH1229 2.8 23.0 1.0
O A:HOH1334 3.0 57.1 1.0
N A:TYR242 3.1 19.3 1.0
CA A:THR241 3.7 24.6 1.0
C A:THR241 3.9 22.2 1.0
CB A:TYR242 3.9 18.8 1.0
CA A:TYR242 4.0 19.3 1.0
CG1 A:VAL226 4.1 23.2 1.0
CB A:THR241 4.1 31.8 1.0
O A:HOH1365 4.2 53.7 1.0
O A:VAL240 4.3 25.6 1.0
CG2 A:VAL226 4.3 19.7 1.0
CB A:CYS229 4.3 18.2 1.0
O A:TYR242 4.4 18.4 1.0
CA A:VAL226 4.4 17.7 1.0
CB A:VAL226 4.5 16.8 1.0
O A:HOH1247 4.5 24.5 1.0
O A:HOH1474 4.6 41.4 1.0
O A:VAL226 4.6 17.4 1.0
C A:TYR242 4.7 22.9 1.0
O A:HOH1269 4.8 34.2 1.0
CG2 A:THR241 4.8 25.1 1.0
N A:THR241 4.8 15.8 1.0
SG A:CYS229 5.0 18.4 1.0
C A:VAL240 5.0 19.4 1.0

Chlorine binding site 6 out of 8 in 1ti7

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Chlorine binding site 6 out of 8 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution


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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl389

b:32.3
occ:1.00
 OG1 A:THR14 3.0 17.5 1.0
O A:HOH1166 3.0 32.2 1.0
N A:HIS37 3.4 17.2 1.0
CA A:VAL36 3.5 15.9 1.0
ND2 A:ASN12 3.7 34.7 0.5
N A:THR14 3.7 13.6 1.0
CA A:ASN12 3.8 16.5 1.0
C A:ASN12 3.9 17.2 1.0
N A:ALA13 3.9 14.8 1.0
CB A:VAL36 4.0 18.6 1.0
C A:VAL36 4.0 15.7 1.0
CB A:THR14 4.0 19.1 1.0
CG2 A:THR14 4.1 15.3 1.0
CG1 A:VAL36 4.2 22.6 1.0
O3B A:NAP400 4.2 60.0 1.0
O2B A:NAP400 4.3 68.6 1.0
CD2 A:HIS37 4.3 59.8 1.0
CA A:THR14 4.4 14.5 1.0
O A:GLN35 4.4 13.0 1.0
OD1 A:ASN12 4.5 41.6 0.5
C1B A:NAP400 4.5 51.4 1.0
O A:ASN12 4.5 14.2 1.0
CB A:HIS37 4.5 21.4 1.0
CA A:HIS37 4.6 19.9 1.0
N A:ASN12 4.7 13.5 1.0
C A:ALA13 4.7 14.1 1.0
CG A:ASN12 4.7 23.9 0.5
CB A:ASN12 4.7 18.6 0.5
N A:VAL36 4.7 13.7 1.0
CA A:ALA13 4.7 13.2 1.0
CB A:ASN12 4.8 16.6 0.5
CG A:HIS37 4.8 50.1 1.0
N3A A:NAP400 4.9 38.1 1.0
C2B A:NAP400 4.9 53.4 1.0
N A:GLY15 5.0 14.6 1.0
C A:GLN35 5.0 16.7 1.0

Chlorine binding site 7 out of 8 in 1ti7

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Chlorine binding site 7 out of 8 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution


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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl390

b:30.3
occ:1.00
 O A:HOH1443 3.0 55.0 1.0
O A:HOH1081 3.2 22.2 1.0
NH1 A:ARG33 3.2 16.5 1.0
CG A:ARG33 3.5 15.0 1.0
CD A:ARG33 3.8 14.5 1.0
CG2 A:THR7 4.1 12.2 1.0
CZ A:ARG33 4.3 16.8 1.0
NE A:ARG33 4.5 15.9 1.0
CB A:HIS31 4.6 18.4 1.0
O A:HOH1011 4.6 54.6 1.0
OG1 A:THR7 4.7 16.7 1.0
OG1 A:THR54 4.7 18.1 1.0
CB A:ARG33 5.0 14.4 1.0

Chlorine binding site 8 out of 8 in 1ti7

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Chlorine binding site 8 out of 8 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl391

b:31.1
occ:1.00
 O A:HOH1301 2.8 37.4 1.0
O A:HOH1226 2.9 19.7 1.0
O A:HOH1100 4.5 44.8 1.0

Reference:

H.K.Lamb, K.Leslie, A.L.Dodds, M.Nutley, A.Cooper, C.Johnson, P.Thompson, D.K.Stammers, A.R.Hawkins. The Negative Transcriptional Regulator Nmra Discriminates Between Oxidized and Reduced Dinucleotides. J.Biol.Chem. V. 278 32107 2003.
ISSN: ISSN 0021-9258
PubMed: 12764138
DOI: 10.1074/JBC.M304104200
Page generated: Sat Dec 12 08:49:59 2020

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