Chlorine in PDB 4nht: X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)

All present enzymatic activity of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days):
3.2.1.17;

The structure of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days), PDB code: 4nht was solved by A.A.Petruk, D.E.Bikiel, A.Vergara, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.52 / 1.65
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.583, 78.583, 37.118, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.8

The structure of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Iridium	(Ir)	5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) (pdb code 4nht). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 22 binding sites of Chlorine where determined in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days), PDB code: 4nht:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:42.4 occ:0.80 CL1 A:2T81001 0.0 42.4 0.8 IR A:2T81001 2.4 46.5 0.8 C A:2T81001 3.0 42.6 0.5 CL3 A:2T81001 3.3 41.5 0.8 CE1 A:HIS15 3.4 34.3 1.0 CL2 A:2T81001 3.4 39.9 0.8 O A:HOH1144 3.5 51.2 1.0 OD1 A:ASP87 3.5 32.4 1.0 OG1 A:THR89 3.6 31.4 1.0 NE2 A:HIS15 3.6 34.1 1.0 O A:2T81001 3.7 43.1 0.5 O A:HOH1142 3.8 53.3 1.0 OD2 A:ASP87 3.8 33.9 1.0 CG A:ASP87 3.9 33.3 1.0 ND1 A:HIS15 4.6 34.8 1.0 CL4 A:2T81001 4.7 41.0 0.8 CB A:THR89 4.9 28.4 1.0 CD2 A:HIS15 4.9 31.2 1.0

Chlorine binding site 2 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:39.9 occ:0.80 CL2 A:2T81001 0.0 39.9 0.8 IR A:2T81001 2.3 46.5 0.8 CL4 A:2T81001 3.1 41.0 0.8 C A:2T81001 3.2 42.6 0.5 NE2 A:HIS15 3.3 34.1 1.0 CL1 A:2T81001 3.4 42.4 0.8 CG A:ARG14 3.5 33.6 0.8 NE A:ARG14 3.5 40.0 0.8 CD2 A:HIS15 4.0 31.2 1.0 CE1 A:HIS15 4.0 34.3 1.0 O A:2T81001 4.0 43.1 0.5 CD A:ARG14 4.0 37.8 0.8 CZ A:ARG14 4.6 42.8 0.8 CL3 A:2T81001 4.7 41.5 0.8 CB A:ARG14 4.7 29.0 0.8 NH2 A:ARG14 4.7 44.2 0.8 ND1 A:HIS15 4.8 34.8 1.0 CG A:HIS15 4.9 32.9 1.0

Chlorine binding site 3 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:41.5 occ:0.80 CL3 A:2T81001 0.0 41.5 0.8 IR A:2T81001 2.4 46.5 0.8 C A:2T81001 2.9 42.6 0.5 N A:ILE88 3.2 25.8 1.0 CL1 A:2T81001 3.3 42.4 0.8 CL4 A:2T81001 3.3 41.0 0.8 NE2 A:HIS15 3.3 34.1 1.0 OD1 A:ASP87 3.6 32.4 1.0 O A:2T81001 3.6 43.1 0.5 CA A:ASP87 3.7 27.8 1.0 CE1 A:HIS15 3.8 34.3 1.0 C A:ASP87 3.9 27.7 1.0 CG1 A:ILE88 3.9 22.9 1.0 CG A:ASP87 4.2 33.3 1.0 CA A:ILE88 4.2 24.7 1.0 O A:SER86 4.4 29.4 1.0 CD2 A:HIS15 4.4 31.2 1.0 CB A:ILE88 4.4 23.7 1.0 CB A:ASP87 4.5 29.6 1.0 N A:THR89 4.5 25.5 1.0 CG2 A:ILE88 4.7 23.9 1.0 CL2 A:2T81001 4.7 39.9 0.8 C A:ILE88 4.8 24.9 1.0 CD1 A:ILE88 4.8 23.8 1.0 N A:ASP87 4.8 27.7 1.0 OG1 A:THR89 4.9 31.4 1.0 OD2 A:ASP87 5.0 33.9 1.0 ND1 A:HIS15 5.0 34.8 1.0

Chlorine binding site 4 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:41.0 occ:0.80 CL4 A:2T81001 0.0 41.0 0.8 IR A:2T81001 2.3 46.5 0.8 C A:2T81001 3.0 42.6 0.5 CL2 A:2T81001 3.1 39.9 0.8 NE2 A:HIS15 3.3 34.1 1.0 CL3 A:2T81001 3.3 41.5 0.8 CB A:ALA11 3.4 25.7 1.0 CD2 A:HIS15 3.6 31.2 1.0 CA A:ALA11 3.6 23.6 1.0 O A:2T81001 3.7 43.1 0.5 O A:ALA11 4.2 24.2 1.0 C A:ALA11 4.4 23.6 1.0 CE1 A:HIS15 4.5 34.3 1.0 CG A:ARG14 4.5 33.6 0.8 CL1 A:2T81001 4.7 42.4 0.8 N A:ALA11 4.8 23.5 1.0 CB A:ARG14 4.9 29.0 0.8 CG A:HIS15 5.0 32.9 1.0

Chlorine binding site 5 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:37.6 occ:0.47 CL1 A:2T81002 0.0 37.6 0.5 IR A:2T81002 2.4 44.2 0.5 C A:2T81002 3.0 39.5 0.5 ND2 A:ASN27 3.3 21.3 1.0 O2 A:2T81002 3.3 38.8 0.5 CL2 A:2T81002 3.4 38.9 0.5 CG2 A:VAL120 3.4 22.9 1.0 CL3 A:2T81002 3.4 38.3 0.5 O A:HOH1165 3.5 41.8 1.0 O A:HOH1105 3.6 30.9 1.0 OG A:SER24 3.7 23.8 1.0 O A:2T81002 3.8 40.9 0.5 OD1 A:ASN27 4.1 18.8 1.0 CG A:ASN27 4.1 17.0 1.0 CB A:VAL120 4.7 24.8 1.0 CL4 A:2T81002 4.7 38.9 0.5 CB A:SER24 4.9 21.5 1.0 CG1 A:VAL120 4.9 25.2 1.0

Chlorine binding site 6 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:38.9 occ:0.47 CL2 A:2T81002 0.0 38.9 0.5 IR A:2T81002 2.3 44.2 0.5 C A:2T81002 3.1 39.5 0.5 O2 A:2T81002 3.2 38.8 0.5 CL4 A:2T81002 3.2 38.9 0.5 CL1 A:2T81002 3.4 37.6 0.5 O A:HOH1120 3.7 67.9 1.0 O A:2T81002 3.9 40.9 0.5 OG A:SER24 4.0 23.8 1.0 CB A:SER24 4.3 21.5 1.0 CL3 A:2T81002 4.7 38.3 0.5

Chlorine binding site 7 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:38.3 occ:0.47 CL3 A:2T81002 0.0 38.3 0.5 IR A:2T81002 2.4 44.2 0.5 C A:2T81002 2.9 39.5 0.5 O2 A:2T81002 3.3 38.8 0.5 CL4 A:2T81002 3.3 38.9 0.5 CL1 A:2T81002 3.4 37.6 0.5 N A:VAL120 3.6 25.6 1.0 O A:2T81002 3.7 40.9 0.5 O A:THR118 3.7 26.5 1.0 CG2 A:VAL120 3.8 22.9 1.0 O A:HOH1165 3.8 41.8 1.0 OD1 A:ASP119 3.9 35.5 1.0 N A:GLN121 4.1 25.5 1.0 CA A:ASP119 4.1 28.6 1.0 C A:ASP119 4.2 27.1 1.0 CA A:VAL120 4.5 24.5 1.0 CB A:GLN121 4.5 31.2 1.0 CL2 A:2T81002 4.7 38.9 0.5 CB A:VAL120 4.7 24.8 1.0 C A:THR118 4.8 27.4 1.0 C A:VAL120 4.8 25.1 1.0 CA A:GLN121 4.9 27.7 1.0 CG A:ASP119 4.9 35.6 1.0

Chlorine binding site 8 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:38.9 occ:0.47 CL4 A:2T81002 0.0 38.9 0.5 IR A:2T81002 2.4 44.2 0.5 C A:2T81002 3.0 39.5 0.5 CL2 A:2T81002 3.2 38.9 0.5 O2 A:2T81002 3.3 38.8 0.5 CL3 A:2T81002 3.3 38.3 0.5 O A:2T81002 3.8 40.9 0.5 CL1 A:2T81002 4.7 37.6 0.5 CB A:GLN121 4.9 31.2 1.0

Chlorine binding site 9 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:36.9 occ:0.70 CL1 A:2T81003 0.0 36.9 0.7 IR A:2T81003 2.4 43.0 0.7 ND2 A:ASN19 3.1 41.8 1.0 CL2 A:2T81003 3.2 38.5 0.7 O2 A:2T81003 3.3 35.8 0.7 CL3 A:2T81003 3.4 37.3 0.7 OD1 A:ASP18 3.5 36.0 1.0 OD2 A:ASP18 3.6 34.6 1.0 CG A:ASP18 3.8 33.6 1.0 CG A:ASN19 4.2 38.5 1.0 CL4 A:2T81003 4.7 37.6 0.7 OD1 A:ASN19 4.8 41.2 1.0

Chlorine binding site 10 out of 22 in the X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Structure of the Complex Between Hen Egg White Lysozyme and Pentachlorocarbonyliridate(III) (6 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:38.5 occ:0.70 CL2 A:2T81003 0.0 38.5 0.7 IR A:2T81003 2.3 43.0 0.7 OD1 A:ASP18 2.9 36.0 1.0 CL1 A:2T81003 3.2 36.9 0.7 CL4 A:2T81003 3.3 37.6 0.7 O2 A:2T81003 3.3 35.8 0.7 NZ A:LYS13 3.4 36.1 1.0 CE A:LYS13 3.9 33.6 1.0 CG A:ASP18 4.1 33.6 1.0 CL3 A:2T81003 4.7 37.3 0.7 OD2 A:ASP18 4.7 34.6 1.0 CD A:LYS13 4.9 32.4 1.0

A.A.Petruk, A.Vergara, D.Marasco, D.E.Bikiel, F.Doctorovich, D.A.Estrin, A.Merlino. Interaction Between Proteins and Ir Based Co Releasing Molecules: Mechanism of Adduct Formation and Co Release To Be Published.