Chlorine in PDB 7q75: Room Temperature Structure of Rnase A at Atmospheric Pressure

All present enzymatic activity of Room Temperature Structure of Rnase A at Atmospheric Pressure:
4.6.1.18;

The structure of Room Temperature Structure of Rnase A at Atmospheric Pressure, PDB code: 7q75 was solved by J.Lieske, S.Guenther, S.Saouane, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.14 / 1.64
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.52, 64.52, 65.14, 90, 90, 120
R / Rfree (%)	15.5 / 18.9

The structure of Room Temperature Structure of Rnase A at Atmospheric Pressure also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Room Temperature Structure of Rnase A at Atmospheric Pressure (pdb code 7q75). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Room Temperature Structure of Rnase A at Atmospheric Pressure, PDB code: 7q75:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Room Temperature Structure of Rnase A at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room Temperature Structure of Rnase A at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:47.7 occ:1.00 HZ2 A:LYS61 2.1 29.8 1.0 NZ A:LYS61 2.9 24.9 1.0 O A:HOH304 3.2 32.2 1.0 HZ1 A:LYS61 3.2 29.8 1.0 HD2 A:LYS61 3.4 29.2 1.0 HZ3 A:LYS61 3.5 29.8 1.0 HE3 A:LYS61 3.5 34.2 1.0 O A:HOH345 3.6 33.8 1.0 CE A:LYS61 3.7 28.6 1.0 CD A:LYS61 4.0 24.4 1.0 HD3 A:LYS61 4.4 29.2 1.0 O A:HOH363 4.5 32.8 1.0 HE2 A:LYS61 4.6 34.2 1.0 H A:ASN62 5.0 28.4 1.0

Chlorine binding site 2 out of 3 in the Room Temperature Structure of Rnase A at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room Temperature Structure of Rnase A at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:37.4 occ:1.00 HD22 A:ASN34 2.1 56.1 1.0 ND2 A:ASN34 2.9 46.8 1.0 HD2 A:ARG10 2.9 25.7 1.0 O A:HOH362 3.2 35.4 1.0 HD21 A:ASN34 3.3 56.1 1.0 HB2 A:ASN34 3.3 44.9 1.0 HD3 A:ARG10 3.3 25.7 1.0 CD A:ARG10 3.5 21.4 1.0 CG A:ASN34 3.9 39.2 1.0 NE A:ARG10 3.9 22.7 1.0 CB A:ASN34 3.9 37.5 1.0 HB3 A:ASN34 4.1 44.9 1.0 HH11 A:ARG10 4.1 35.9 1.0 HE A:ARG10 4.2 27.1 1.0 CZ A:ARG10 4.3 28.6 1.0 NH1 A:ARG10 4.4 29.9 1.0 O A:ARG33 4.7 25.8 1.0 CG A:ARG10 4.9 18.7 1.0 HG3 A:ARG10 5.0 22.4 1.0 HH12 A:ARG10 5.0 35.9 1.0

Chlorine binding site 3 out of 3 in the Room Temperature Structure of Rnase A at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Room Temperature Structure of Rnase A at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:33.4 occ:1.00 H A:THR45 2.6 19.2 1.0 HE1 A:HIS12 2.7 23.1 1.0 HA A:ASN44 2.8 21.6 1.0 N A:THR45 3.3 16.1 1.0 HB3 A:PHE120 3.4 31.0 1.0 HD1 A:PHE120 3.5 34.9 1.0 CE1 A:HIS12 3.5 19.4 1.0 HB A:THR45 3.5 22.4 1.0 OG1 A:THR45 3.6 21.1 1.0 CA A:ASN44 3.7 18.0 1.0 C A:ASN44 3.9 20.8 1.0 CB A:THR45 3.9 18.7 1.0 CD1 A:PHE120 3.9 29.2 1.0 HG12 A:VAL43 4.0 21.9 0.7 HD1 A:HIS12 4.1 21.8 1.0 OD1 A:ASN44 4.2 26.6 1.0 ND1 A:HIS12 4.2 18.2 1.0 HZ2 A:LYS41 4.2 57.7 1.0 CA A:THR45 4.2 14.2 1.0 CB A:PHE120 4.2 25.9 1.0 HG1 A:THR45 4.3 25.2 1.0 HG23 A:VAL43 4.3 49.3 0.3 HZ3 A:LYS41 4.3 57.7 1.0 CG A:PHE120 4.3 22.3 1.0 O A:VAL43 4.4 22.3 1.0 NE2 A:HIS12 4.4 18.3 1.0 N A:ASN44 4.5 19.4 1.0 HE2 A:HIS12 4.6 21.9 1.0 HB2 A:PHE120 4.6 31.0 1.0 O A:PHE120 4.7 24.1 1.0 CG A:ASN44 4.7 24.6 1.0 NZ A:LYS41 4.7 48.1 1.0 C A:VAL43 4.7 20.8 1.0 CE1 A:PHE120 4.7 30.5 1.0 CB A:ASN44 4.7 18.6 1.0 O A:THR45 4.8 18.6 1.0 HE1 A:PHE120 4.8 36.5 1.0 HA A:THR45 4.9 17.0 1.0 O4 A:SO4201 4.9 93.2 0.8 CG1 A:VAL43 4.9 18.3 0.7 O A:ASN44 5.0 24.1 1.0 H A:ASN44 5.0 23.2 1.0 O1 A:SO4201 5.0 73.5 0.8

J.Lieske, S.Saouane, S.Guenther, J.Meyer, T.Pakendorf, B.Reime, A.Burkhardt, E.Crosas, J.Hakanpaeae, K.Stachnik, J.Sieg, M.Rarey, M.H.Abdellatif, A.G.Gabdulkhakov, G.K.Selikhanov, H.N.Chapman, A.Meents. Fixed-Target High-Pressure Macromolecular Crystallography To Be Published.