Chlorine in PDB 1k6i: Crystal Structure of Nmra, A Negative Transcriptional Regulator (Trigonal Form)

The structure of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Trigonal Form), PDB code: 1k6i was solved by D.K.Stammers, J.Ren, K.Leslie, C.E.Nichols, H.K.Lamb, S.Cocklin, A.Dodds, A.R.Hawkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.89 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.800, 76.800, 104.900, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 25.8

The binding sites of Chlorine atom in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Trigonal Form) (pdb code 1k6i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Trigonal Form), PDB code: 1k6i:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Trigonal Form)


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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 (Trigonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl360 b:20.2 occ:1.00 O A:HOH660 2.8 32.5 1.0 O A:HOH584 2.9 40.3 1.0 N A:LYS6 3.2 16.6 1.0 CE1 A:HIS30 3.6 20.3 1.0 CG A:LYS6 3.7 13.7 1.0 CB A:LYS6 3.7 9.4 1.0 CD A:LYS6 3.9 13.8 1.0 CA A:LYS5 3.9 18.8 1.0 C A:LYS5 4.0 19.3 1.0 CA A:LYS6 4.0 16.5 1.0 CD A:LYS5 4.2 35.4 1.0 CE A:LYS6 4.3 22.8 1.0 ND1 A:HIS30 4.3 12.9 1.0 O A:GLN4 4.4 19.9 1.0 CD1 A:LEU76 4.5 7.3 1.0 NE2 A:HIS30 4.6 15.7 1.0 CB A:LYS5 4.6 19.1 1.0 O A:LYS6 4.9 18.5 1.0 N A:LYS5 4.9 18.0 1.0 O A:HOH659 5.0 25.1 1.0 C A:LYS6 5.0 18.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Trigonal Form)


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 (Trigonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl361 b:16.0 occ:1.00 O A:GLN48 2.6 21.8 1.0 O A:VAL53 2.6 19.8 1.0 O A:ILE50 2.7 21.2 1.0 O A:HOH602 2.7 30.3 1.0 O A:HOH528 2.8 30.7 1.0 C A:ILE50 3.6 26.8 1.0 C A:GLN48 3.6 12.9 1.0 C A:VAL53 3.7 21.8 1.0 O A:HOH467 3.8 23.8 1.0 O A:PRO51 3.8 28.8 1.0 O A:HOH686 3.8 23.6 1.0 O A:HOH688 3.9 34.5 1.0 CA A:PRO51 4.0 33.9 1.0 C A:PRO51 4.1 24.4 1.0 N A:PRO51 4.1 31.4 1.0 N A:ILE50 4.2 18.3 1.0 CA A:GLN48 4.3 14.6 1.0 N A:VAL53 4.3 13.6 1.0 CA A:VAL53 4.4 16.8 1.0 C A:ALA49 4.6 19.4 1.0 N A:ALA49 4.6 14.2 1.0 CA A:ILE50 4.6 15.9 1.0 CB A:VAL53 4.7 20.2 1.0 O A:LEU47 4.7 16.3 1.0 N A:THR54 4.8 14.3 1.0 CA A:ALA49 4.8 18.2 1.0 CB A:GLN48 5.0 25.0 1.0 CA A:THR54 5.0 15.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Trigonal Form)


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 (Trigonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl362 b:29.0 occ:1.00 O A:HOH575 2.6 14.3 1.0 O A:HOH576 2.7 21.2 1.0 O A:LEU141 2.7 18.1 1.0 O A:ARG139 2.8 19.8 1.0 O A:HOH547 2.9 40.6 1.0 O A:HOH518 3.4 34.6 1.0 C A:ARG139 3.7 19.1 1.0 O A:LEU143 3.8 34.0 1.0 C A:LEU141 3.9 16.5 1.0 CA A:ARG139 4.4 15.0 1.0 N A:LEU143 4.4 31.9 1.0 N A:LEU141 4.5 20.6 1.0 O A:VAL138 4.5 18.6 1.0 OD1 A:ASN212 4.5 19.4 1.0 C A:LEU143 4.6 30.2 1.0 C A:GLN140 4.7 28.9 1.0 N A:GLN140 4.7 25.1 1.0 CA A:GLY142 4.7 26.4 1.0 OG A:SER145 4.7 15.7 1.0 N A:GLY142 4.8 22.5 1.0 ND2 A:ASN212 4.8 21.7 1.0 CA A:LEU141 4.8 19.1 1.0 CA A:GLN140 5.0 28.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Trigonal Form)


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 (Trigonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl363 b:40.9 occ:1.00 N A:ASN253 3.0 17.7 1.0 CA A:VAL252 3.6 16.0 1.0 CB A:VAL252 3.7 15.9 1.0 CB A:ASN253 3.7 18.3 1.0 C A:VAL252 3.8 21.7 1.0 CA A:ASN253 3.9 17.5 1.0 CG A:ASN253 4.0 15.5 1.0 CG1 A:VAL252 4.3 14.3 1.0 ND2 A:ASN253 4.3 10.3 1.0 OD1 A:ASN253 4.6 20.7 1.0 O A:ASN253 4.6 12.4 1.0 C A:ASN253 4.8 19.0 1.0 CG2 A:VAL252 4.9 10.8 1.0 O A:VAL252 5.0 14.4 1.0

D.K.Stammers, J.Ren, K.Leslie, C.E.Nichols, H.K.Lamb, S.Cocklin, A.Dodds, A.R.Hawkins. The Structure of the Negative Transcriptional Regulator Nmra Reveals A Structural Superfamily Which Includes the Short-Chain Dehydrogenase/Reductases. Embo J. V. 20 6619 2001.
ISSN: ISSN 0261-4189
PubMed: 11726498
DOI: 10.1093/EMBOJ/20.23.6619