Atomistry » Chlorine » PDB 1ti7-1u33 » 1ti7
Atomistry »
  Chlorine »
    PDB 1ti7-1u33 »
      1ti7 »

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

Go back to Chlorine Binding Sites List in 1ti7
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

Go back to Chlorine Binding Sites List in 1ti7
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

Go back to Chlorine Binding Sites List in 1ti7
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

Go back to Chlorine Binding Sites List in 1ti7
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

Go back to Chlorine Binding Sites List in 1ti7
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

Go back to Chlorine Binding Sites List in 1ti7
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

Go back to Chlorine Binding Sites List in 1ti7
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

Go back to Chlorine Binding Sites List in 1ti7
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: Thu Jul 10 19:36:23 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy