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Chlorine in PDB 1n11: D34 Region of Human Ankyrin-R and Linker

Protein crystallography data

The structure of D34 Region of Human Ankyrin-R and Linker, PDB code: 1n11 was solved by P.Michaely, D.R.Tomchick, M.Machius, R.G.W.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.70
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 137.329, 137.329, 197.801, 90.00, 90.00, 120.00
R / Rfree (%) 31.9 / 30.3

Other elements in 1n11:

The structure of D34 Region of Human Ankyrin-R and Linker also contains other interesting chemical elements:

Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the D34 Region of Human Ankyrin-R and Linker (pdb code 1n11). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the D34 Region of Human Ankyrin-R and Linker, PDB code: 1n11:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 1n11

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Chlorine binding site 1 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:0.5
occ:1.00
 NE2 A:GLN744 3.4 0.8 1.0
NE2 A:HIS746 3.5 0.7 1.0
CE1 A:HIS746 3.8 0.3 1.0
O A:HIS710 3.8 0.8 1.0
CA A:TYR711 4.0 0.5 1.0
C A:TYR711 4.4 0.6 1.0
N A:GLY712 4.4 0.3 1.0
CB A:GLN744 4.5 0.5 1.0
CD A:GLN744 4.5 1.0 1.0
CG A:GLN744 4.7 0.2 1.0
C A:HIS710 4.7 0.8 1.0
CD2 A:HIS746 4.8 0.4 1.0
N A:TYR711 4.8 0.2 1.0
CB A:TYR711 4.9 0.1 1.0

Chlorine binding site 2 out of 9 in 1n11

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Chlorine binding site 2 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:0.2
occ:1.00
 NE2 A:HIS579 3.5 0.6 1.0
CG2 A:VAL575 4.2 96.3 1.0
CZ A:PHE537 4.2 0.6 1.0
CE1 A:HIS579 4.2 0.9 1.0
CD2 A:HIS579 4.5 0.3 1.0
CD2 A:HIS578 4.5 0.9 1.0
CL A:CL1008 4.7 0.8 1.0
CG1 A:VAL575 4.7 99.3 1.0
CA A:VAL575 4.8 99.3 1.0
CB A:VAL575 4.8 97.9 1.0
CG A:HIS578 4.8 0.0 1.0
CD2 A:LEU570 4.8 99.5 1.0
CE1 A:PHE537 4.8 0.8 1.0
CE A:LYS545 4.9 0.1 1.0
NE2 A:HIS578 4.9 0.8 1.0

Chlorine binding site 3 out of 9 in 1n11

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Chlorine binding site 3 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:0.5
occ:1.00
 O A:ASN580 2.9 0.6 1.0
O A:HIS579 3.2 0.7 1.0
OD1 A:ASN581 3.7 0.2 1.0
ND2 A:ASN581 3.7 0.5 1.0
CG A:ASN581 3.8 0.2 1.0
C A:ASN580 3.9 0.1 1.0
C A:HIS579 4.2 0.5 1.0
N A:ASN581 4.7 0.4 1.0
CA A:ASN581 4.7 0.4 1.0
CA A:ASN580 4.8 0.7 1.0
CB A:ASN581 4.8 0.5 1.0
N A:ASN580 4.9 0.6 1.0
CB A:ASN580 5.0 0.3 1.0

Chlorine binding site 4 out of 9 in 1n11

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Chlorine binding site 4 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1005

b:0.8
occ:1.00
 OG1 A:THR697 2.9 97.7 1.0
O A:THR697 3.0 0.4 1.0
O A:THR698 3.5 0.8 1.0
C A:THR697 3.8 1.0 1.0
CB A:THR697 4.1 97.5 1.0
C A:THR698 4.2 0.6 1.0
CA A:THR697 4.4 99.9 1.0
N A:THR698 4.6 0.0 1.0
N A:THR697 4.7 0.7 1.0
CA A:THR698 4.8 0.2 1.0
N A:ARG699 4.9 0.7 1.0
CA A:ARG699 5.0 0.6 1.0

Chlorine binding site 5 out of 9 in 1n11

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Chlorine binding site 5 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1006

b:0.4
occ:1.00
 N A:ASN464 3.3 1.0 1.0
N A:VAL463 3.5 0.7 1.0
CB A:LYS462 3.5 0.9 1.0
CB A:ASN464 3.7 0.5 1.0
ND2 A:ASN464 3.7 0.8 1.0
CA A:LYS462 3.8 0.4 1.0
CA A:ASN464 3.9 0.2 1.0
C A:LYS462 4.0 0.1 1.0
CG A:ASN464 4.1 0.0 1.0
C A:ASN464 4.1 1.0 1.0
N A:ALA465 4.2 0.6 1.0
CG A:LYS462 4.3 0.3 1.0
CG2 A:VAL463 4.3 0.4 1.0
C A:VAL463 4.3 0.4 1.0
CA A:VAL463 4.4 0.2 1.0
CD A:LYS462 4.6 0.5 1.0
O A:ASN464 4.8 0.8 1.0
O A:LYS462 5.0 0.8 1.0

Chlorine binding site 6 out of 9 in 1n11

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Chlorine binding site 6 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1007

b:0.5
occ:1.00
 N A:THR483 2.7 0.9 1.0
OD1 A:ASN484 3.0 0.1 1.0
CB A:THR483 3.2 0.0 1.0
CA A:THR483 3.3 0.9 1.0
C A:HIS482 3.3 0.5 1.0
N A:ASN484 3.5 0.6 1.0
CA A:HIS482 3.6 0.1 1.0
OG1 A:THR483 3.8 0.5 1.0
C A:THR483 3.9 0.1 1.0
O A:GLY481 4.1 0.4 1.0
CG A:ASN484 4.1 0.5 1.0
ND1 A:HIS482 4.1 0.8 1.0
O A:HIS482 4.2 0.8 1.0
CG2 A:THR483 4.4 0.5 1.0
CG A:HIS482 4.5 1.0 1.0
N A:HIS482 4.6 0.2 1.0
CB A:ASN484 4.6 0.6 1.0
CB A:HIS482 4.7 0.4 1.0
CA A:ASN484 4.7 0.4 1.0
CE1 A:HIS482 4.7 0.4 1.0
C A:GLY481 4.8 0.9 1.0

Chlorine binding site 7 out of 9 in 1n11

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Chlorine binding site 7 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1008

b:0.8
occ:1.00
 CL A:CL1009 3.4 0.2 1.0
CL A:CL1003 4.7 0.2 1.0
NE2 A:HIS578 4.7 0.8 1.0
CD2 A:LEU570 4.8 99.5 1.0
CD2 A:HIS578 4.9 0.9 1.0

Chlorine binding site 8 out of 9 in 1n11

Go back to Chlorine Binding Sites List in 1n11
Chlorine binding site 8 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1009

b:0.2
occ:1.00
 NE2 A:HIS578 3.4 0.8 1.0
CL A:CL1008 3.4 0.8 1.0
CD2 A:HIS578 4.2 0.9 1.0
CE1 A:HIS578 4.4 0.7 1.0

Chlorine binding site 9 out of 9 in 1n11

Go back to Chlorine Binding Sites List in 1n11
Chlorine binding site 9 out of 9 in the D34 Region of Human Ankyrin-R and Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1010

b:0.7
occ:1.00
 N A:ASN713 2.7 0.6 1.0
CB A:ASN713 2.8 0.2 1.0
CA A:ASN713 3.2 0.6 1.0
C A:GLY712 3.2 0.9 1.0
O A:GLN677 3.3 0.3 1.0
O A:ALA676 3.6 0.5 1.0
N A:GLY712 3.7 0.3 1.0
CA A:GLY712 3.8 0.1 1.0
O A:ASN713 3.8 0.2 1.0
O A:GLY712 3.9 0.3 1.0
C A:ASN713 4.0 0.1 1.0
N A:GLY679 4.0 0.7 1.0
CA A:GLY679 4.0 0.9 1.0
C A:TYR711 4.2 0.6 1.0
CG A:ASN713 4.2 0.0 1.0
C A:GLN677 4.2 0.7 1.0
CB A:TYR711 4.3 0.1 1.0
C A:GLU678 4.3 0.4 1.0
O A:ALA708 4.5 0.9 1.0
O A:GLU678 4.5 0.3 1.0
O A:TYR711 4.7 0.9 1.0
ND2 A:ASN713 4.7 0.0 1.0
C A:ALA676 4.8 0.1 1.0
CA A:TYR711 4.9 0.5 1.0
CA A:GLU678 5.0 0.7 1.0
N A:GLU678 5.0 0.8 1.0

Reference:

P.Michaely, D.R.Tomchick, M.Machius, R.G.W.Anderson. Crystal Structure of A 12 Ank Repeat Stack From Human Ankyrinr Embo J. V. 21 6387 2002.
ISSN: ISSN 0261-4189
PubMed: 12456646
DOI: 10.1093/EMBOJ/CDF651
Page generated: Sat Dec 12 08:43:04 2020

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