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Chlorine in PDB 1qiz: Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol

Protein crystallography data

The structure of Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol, PDB code: 1qiz was solved by L.Tang, J.L.Whittingham, C.S.Verma, L.S.D.Caves, G.G.Dodson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.20 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.810, 62.050, 47.650, 90.00, 110.40, 90.00
R / Rfree (%) 19.1 / n/a

Other elements in 1qiz:

The structure of Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol (pdb code 1qiz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol, PDB code: 1qiz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1qiz

Go back to Chlorine Binding Sites List in 1qiz
Chlorine binding site 1 out of 2 in the Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl1002

b:26.0
occ:1.00
ZN J:ZN1001 2.2 24.0 1.0
NE2 B:HIS10 3.5 17.1 1.0
NE2 J:HIS10 3.5 19.4 1.0
NE2 F:HIS10 3.6 22.3 1.0
CD2 B:HIS10 3.9 15.6 1.0
CD2 J:HIS10 4.0 20.4 1.0
CB F:LEU6 4.0 23.1 1.0
CB J:LEU6 4.1 23.4 1.0
CD1 J:LEU6 4.1 32.6 1.0
CD2 F:HIS10 4.1 18.5 1.0
CB B:LEU6 4.1 24.2 1.0
CD1 F:LEU6 4.2 29.3 1.0
CD1 B:LEU6 4.5 31.1 1.0
CE1 J:HIS10 4.6 27.8 1.0
CE1 B:HIS10 4.6 24.5 1.0
CE1 F:HIS10 4.6 25.0 1.0
CG J:LEU6 4.7 32.2 1.0
CG F:LEU6 4.7 33.1 1.0
CG B:LEU6 4.8 24.4 1.0
O B:LEU6 4.9 21.9 1.0
O F:LEU6 4.9 25.2 1.0
C F:LEU6 4.9 25.4 1.0

Chlorine binding site 2 out of 2 in 1qiz

Go back to Chlorine Binding Sites List in 1qiz
Chlorine binding site 2 out of 2 in the Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Resorcinol within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl1002

b:26.4
occ:1.00
ZN L:ZN1001 2.2 24.4 1.0
NE2 L:HIS10 3.5 22.0 1.0
NE2 D:HIS10 3.5 21.0 1.0
NE2 H:HIS10 3.6 30.2 1.0
CD2 D:HIS10 4.0 21.6 1.0
O D:HOH2003 4.0 71.1 1.0
CB L:LEU6 4.0 27.2 1.0
CD1 L:LEU6 4.0 37.1 1.0
CD2 H:HIS10 4.0 22.8 1.0
CB D:LEU6 4.1 32.7 1.0
CD2 L:HIS10 4.1 20.0 1.0
CB H:LEU6 4.1 25.8 1.0
CD1 H:LEU6 4.4 32.4 1.0
CE1 L:HIS10 4.5 20.6 1.0
CG L:LEU6 4.5 32.2 1.0
CD1 D:LEU6 4.6 33.2 1.0
CE1 D:HIS10 4.6 20.1 1.0
CE1 H:HIS10 4.6 30.1 1.0
O D:LEU6 4.8 32.1 1.0
CG H:LEU6 4.9 27.7 1.0
CG D:LEU6 4.9 36.2 1.0
C D:LEU6 4.9 29.5 1.0
O H:LEU6 5.0 25.2 1.0
CD2 L:LEU6 5.0 30.9 1.0

Reference:

L.Tang, J.L.Whittingham, C.S.Verma, L.S.D.Caves, G.G.Dodson. Structural Consequences of the B5 Histidine --> Tyrosine Mutation in Human Insulin Characterized By X-Ray Crystallography and Conformational Analysis. Biochemistry V. 38 12041 1999.
ISSN: ISSN 0006-2960
PubMed: 10508408
DOI: 10.1021/BI990700K
Page generated: Sat Dec 12 08:47:07 2020

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