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

Enzymatic activity of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days)

All present enzymatic activity of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days):
3.2.1.17;

Protein crystallography data

The structure of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days), PDB code: 4nhp 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) 25.49 / 1.42
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.441, 78.441, 37.113, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 22.7

Other elements in 4nhp:

The structure of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) also contains other interesting chemical elements:

Sodium (Na) 1 atom
Iridium (Ir) 3 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) (pdb code 4nhp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days), PDB code: 4nhp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 4nhp

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Chlorine binding site 1 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:9.4
occ:1.00
 CL1 A:2T81001 0.0 9.4 1.0
IR A:2T81001 2.5 14.4 0.5
C A:2T81001 3.3 12.5 0.5
CL2 A:2T81001 3.5 8.4 1.0
O2 A:2T81001 3.6 12.9 0.5
O A:2T81001 4.1 14.0 0.5

Chlorine binding site 2 out of 12 in 4nhp

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Chlorine binding site 2 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:8.4
occ:1.00
 CL2 A:2T81001 0.0 8.4 1.0
IR A:2T81001 2.4 14.4 0.5
C A:2T81001 3.2 12.5 0.5
O2 A:2T81001 3.5 12.9 0.5
CL1 A:2T81001 3.5 9.4 1.0
O A:HOH1268 3.5 44.7 1.0
NE A:ARG14 3.6 26.0 1.0
CD A:ARG14 3.9 23.5 1.0
O A:2T81001 4.0 14.0 0.5
CZ A:ARG14 4.3 26.8 1.0
NH2 A:ARG14 4.6 26.2 1.0

Chlorine binding site 3 out of 12 in 4nhp

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Chlorine binding site 3 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:11.9
occ:0.65
 CL1 A:2T81002 0.0 11.9 0.7
IR A:2T81002 2.4 28.6 0.7
C A:2T81002 3.0 19.8 0.7
CL2 A:2T81002 3.2 17.3 0.7
CG2 A:VAL120 3.3 16.9 1.0
ND2 A:ASN27 3.3 10.1 1.0
O2 A:2T81002 3.4 21.6 0.7
CL3 A:2T81002 3.4 14.1 0.7
O A:HOH1134 3.5 19.7 1.0
OG A:SER24 3.7 17.0 1.0
O A:2T81002 3.8 23.4 0.7
O A:HOH1289 4.1 8.5 0.3
CG A:ASN27 4.2 8.4 1.0
O A:HOH1290 4.2 9.3 0.3
OD1 A:ASN27 4.3 10.9 1.0
CB A:VAL120 4.7 16.2 1.0
CL4 A:2T81002 4.7 15.3 0.7
CB A:SER24 4.7 13.9 1.0

Chlorine binding site 4 out of 12 in 4nhp

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Chlorine binding site 4 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:17.3
occ:0.65
 CL2 A:2T81002 0.0 17.3 0.7
IR A:2T81002 2.3 28.6 0.7
C A:2T81002 3.0 19.8 0.7
CL4 A:2T81002 3.2 15.3 0.7
CL1 A:2T81002 3.2 11.9 0.7
O2 A:2T81002 3.3 21.6 0.7
O A:HOH1200 3.6 34.3 1.0
O A:2T81002 3.8 23.4 0.7
O A:HOH1289 4.0 8.5 0.3
OG A:SER24 4.1 17.0 1.0
CB A:SER24 4.3 13.9 1.0
CL3 A:2T81002 4.6 14.1 0.7

Chlorine binding site 5 out of 12 in 4nhp

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Chlorine binding site 5 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:14.1
occ:0.65
 CL3 A:2T81002 0.0 14.1 0.7
O A:HOH1290 1.0 9.3 0.3
O A:HOH1289 2.1 8.5 0.3
IR A:2T81002 2.3 28.6 0.7
C A:2T81002 3.0 19.8 0.7
O2 A:2T81002 3.2 21.6 0.7
CL1 A:2T81002 3.4 11.9 0.7
CL4 A:2T81002 3.4 15.3 0.7
CG2 A:VAL120 3.4 16.9 1.0
N A:VAL120 3.5 17.2 1.0
O A:THR118 3.7 14.9 1.0
O A:2T81002 3.8 23.4 0.7
N A:GLN121 3.9 16.3 0.5
O A:HOH1134 3.9 19.7 1.0
N A:GLN121 3.9 15.4 0.5
CA A:ASP119 4.1 17.8 1.0
OD1 A:ASP119 4.1 23.0 1.0
C A:ASP119 4.1 17.8 1.0
O A:HOH1150 4.3 46.4 1.0
CB A:GLN121 4.3 19.5 0.5
CA A:VAL120 4.4 15.4 1.0
CB A:VAL120 4.5 16.2 1.0
C A:VAL120 4.6 15.2 1.0
CL2 A:2T81002 4.6 17.3 0.7
CB A:GLN121 4.7 17.1 0.5
C A:THR118 4.7 15.2 1.0
CA A:GLN121 4.7 17.8 0.5
N A:ASP119 4.9 16.4 1.0
CA A:GLN121 4.9 16.3 0.5
O A:HOH1193 4.9 32.3 1.0
OE1 A:GLN121 5.0 26.0 0.5

Chlorine binding site 6 out of 12 in 4nhp

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Chlorine binding site 6 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:15.3
occ:0.65
 CL4 A:2T81002 0.0 15.3 0.7
O A:HOH1289 2.2 8.5 0.3
IR A:2T81002 2.3 28.6 0.7
C A:2T81002 3.1 19.8 0.7
CL2 A:2T81002 3.2 17.3 0.7
O2 A:2T81002 3.3 21.6 0.7
O A:HOH1290 3.3 9.3 0.3
CL3 A:2T81002 3.4 14.1 0.7
OE1 A:GLN121 3.7 26.0 0.5
O A:2T81002 3.9 23.4 0.7
O A:HOH1150 4.0 46.4 1.0
CL1 A:2T81002 4.7 11.9 0.7
CD A:GLN121 4.8 24.0 0.5
CB A:GLN121 4.9 19.5 0.5
CB A:GLN121 5.0 17.1 0.5

Chlorine binding site 7 out of 12 in 4nhp

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Chlorine binding site 7 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:7.8
occ:0.45
 CL1 A:2T81003 0.0 7.8 0.5
IR A:2T81003 2.3 22.6 0.5
C A:2T81003 2.9 13.3 0.5
CL3 A:2T81003 3.1 5.1 0.5
CL2 A:2T81003 3.3 10.9 0.5
O2 A:2T81003 3.3 14.6 0.5
O A:HOH1120 3.4 13.8 1.0
ND2 A:ASN65 3.5 15.1 1.0
O A:2T81003 3.7 17.3 0.5
CB A:PRO79 4.4 11.1 1.0
CL4 A:2T81003 4.6 14.3 0.5
CG A:ASN65 4.7 12.1 1.0
O A:ASN65 4.8 10.5 1.0

Chlorine binding site 8 out of 12 in 4nhp

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Chlorine binding site 8 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:10.9
occ:0.45
 CL2 A:2T81003 0.0 10.9 0.5
IR A:2T81003 2.3 22.6 0.5
C A:2T81003 3.0 13.3 0.5
O2 A:2T81003 3.2 14.6 0.5
CL1 A:2T81003 3.3 7.8 0.5
CL4 A:2T81003 3.3 14.3 0.5
O A:2T81003 3.8 17.3 0.5
CL3 A:2T81003 4.6 5.1 0.5

Chlorine binding site 9 out of 12 in 4nhp

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Chlorine binding site 9 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:5.1
occ:0.45
 CL3 A:2T81003 0.0 5.1 0.5
IR A:2T81003 2.3 22.6 0.5
C A:2T81003 2.9 13.3 0.5
O A:HOH1143 3.0 21.3 1.0
CL1 A:2T81003 3.1 7.8 0.5
CL4 A:2T81003 3.3 14.3 0.5
O2 A:2T81003 3.4 14.6 0.5
ND2 A:ASN65 3.4 15.1 1.0
O A:2T81003 3.6 17.3 0.5
CB A:PRO79 3.7 11.1 1.0
CA A:PRO79 3.8 12.1 1.0
CB A:ASN65 3.9 10.4 1.0
N A:PRO79 4.0 11.9 1.0
CG A:ASN65 4.2 12.1 1.0
CD A:PRO79 4.3 12.2 1.0
C A:ILE78 4.5 13.0 1.0
CG A:PRO79 4.5 12.8 1.0
O A:ASN65 4.6 10.5 1.0
CL2 A:2T81003 4.6 10.9 0.5
O A:ILE78 4.6 13.1 1.0
ND2 A:ASN74 4.7 15.3 1.0

Chlorine binding site 10 out of 12 in 4nhp

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Chlorine binding site 10 out of 12 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 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 the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:14.3
occ:0.45
 CL4 A:2T81003 0.0 14.3 0.5
IR A:2T81003 2.3 22.6 0.5
C A:2T81003 3.0 13.3 0.5
O2 A:2T81003 3.3 14.6 0.5
CL2 A:2T81003 3.3 10.9 0.5
CL3 A:2T81003 3.3 5.1 0.5
O A:2T81003 3.7 17.3 0.5
O A:HOH1143 4.6 21.3 1.0
CL1 A:2T81003 4.6 7.8 0.5

Reference:

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.
Page generated: Sun Jul 21 22:14:52 2024

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