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Chlorine in PDB 1zmq: Crystal Structure of Human Alpha-Defensin-6

Protein crystallography data

The structure of Crystal Structure of Human Alpha-Defensin-6, PDB code: 1zmq was solved by J.Lubkowski, A.Szyk, W.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.10
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 62.068, 62.068, 145.297, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 19.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Alpha-Defensin-6 (pdb code 1zmq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Human Alpha-Defensin-6, PDB code: 1zmq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1zmq

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Chlorine binding site 1 out of 8 in the Crystal Structure of Human Alpha-Defensin-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Alpha-Defensin-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:44.8
occ:0.80
 O C:HOH281 1.3 78.8 1.0
O D:HOH213 3.0 40.4 1.0
N A:ALA1 3.1 26.6 1.0
CD2 D:HIS5 3.5 31.8 1.0
CD2 C:HIS5 3.6 26.8 1.0
CB A:ALA1 3.8 29.5 1.0
O C:HOH216 3.8 46.9 1.0
CA A:ALA1 3.8 29.8 1.0
NE2 C:HIS5 3.8 27.3 1.0
O D:HOH219 3.8 61.9 1.0
CB D:HIS5 4.0 30.4 1.0
CG D:HIS5 4.1 32.1 1.0
CL C:CL502 4.3 29.3 0.8
CA D:HIS5 4.7 30.8 1.0
NE2 D:HIS5 4.7 33.2 1.0
CL A:CL505 4.7 35.1 0.7
CG C:HIS5 4.8 26.5 1.0
N D:CYS6 4.9 28.7 1.0
NH1 D:ARG7 4.9 30.9 1.0
O C:HOH107 4.9 35.7 1.0

Chlorine binding site 2 out of 8 in 1zmq

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Chlorine binding site 2 out of 8 in the Crystal Structure of Human Alpha-Defensin-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Alpha-Defensin-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:35.1
occ:0.70
 O D:HOH119 3.1 36.8 1.0
O A:HOH256 3.1 61.0 1.0
N A:ALA1 3.1 26.6 1.0
NH1 D:ARG7 3.3 30.9 1.0
CG D:ARG7 3.6 31.4 1.0
O A:ALA1 3.8 30.2 1.0
CB D:ARG7 3.9 31.2 1.0
CD D:ARG7 3.9 31.5 1.0
CA D:ARG7 4.0 30.5 1.0
CA A:ALA1 4.1 29.8 1.0
O D:CYS6 4.1 29.5 1.0
CB A:ALA1 4.2 29.5 1.0
C A:ALA1 4.3 29.4 1.0
CZ D:ARG7 4.4 31.7 1.0
O D:HOH177 4.5 47.5 1.0
O A:HOH113 4.5 45.6 1.0
NE D:ARG7 4.6 31.9 1.0
CL A:CL501 4.7 44.8 0.8
C D:CYS6 4.8 29.4 1.0
N D:ARG7 4.8 28.9 1.0

Chlorine binding site 3 out of 8 in 1zmq

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Chlorine binding site 3 out of 8 in the Crystal Structure of Human Alpha-Defensin-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Alpha-Defensin-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:39.8
occ:0.70
 N B:SER12 3.1 25.2 1.0
OG B:SER12 3.5 26.6 1.0
CA B:TYR11 3.7 28.2 1.0
CB B:SER12 3.9 25.2 1.0
C B:TYR11 3.9 27.2 1.0
CB B:TYR11 4.0 30.5 1.0
CA B:SER12 4.1 26.6 1.0
CD2 B:TYR11 4.5 36.1 1.0
CG B:TYR11 4.5 34.2 1.0
O B:HOH263 4.8 75.0 1.0
N B:TYR11 5.0 27.6 1.0

Chlorine binding site 4 out of 8 in 1zmq

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Chlorine binding site 4 out of 8 in the Crystal Structure of Human Alpha-Defensin-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Alpha-Defensin-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:29.3
occ:0.80
 O D:HOH213 2.7 40.4 1.0
N C:CYS6 3.2 25.7 1.0
O C:HOH107 3.4 35.7 1.0
CA C:HIS5 3.6 26.7 1.0
CB D:CYS6 3.7 28.9 1.0
CA A:ALA1 3.7 29.8 1.0
N A:ALA1 3.7 26.6 1.0
C C:HIS5 3.9 27.9 1.0
CE1 A:PHE2 3.9 26.9 1.0
CB C:HIS5 4.0 25.7 1.0
CD2 C:HIS5 4.1 26.8 1.0
CD1 A:PHE2 4.1 27.1 1.0
CB C:CYS6 4.1 27.9 1.0
O D:CYS6 4.1 29.5 1.0
CA C:CYS6 4.2 27.6 1.0
SG C:CYS6 4.2 29.4 1.0
CL A:CL501 4.3 44.8 0.8
CG C:HIS5 4.3 26.5 1.0
SG D:CYS6 4.4 31.0 1.0
N D:CYS6 4.4 28.7 1.0
O C:CYS4 4.4 27.6 1.0
CA D:CYS6 4.5 28.3 1.0
C A:ALA1 4.5 29.4 1.0
O C:CYS6 4.5 26.6 1.0
N C:HIS5 4.8 26.0 1.0
C D:CYS6 4.8 29.4 1.0
CB A:ALA1 4.8 29.5 1.0
C C:CYS6 4.9 27.9 1.0
N A:PHE2 5.0 28.9 1.0

Chlorine binding site 5 out of 8 in 1zmq

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Chlorine binding site 5 out of 8 in the Crystal Structure of Human Alpha-Defensin-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Alpha-Defensin-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:34.0
occ:0.50
 O C:HOH218 2.2 79.8 1.0
NE2 C:HIS27 2.7 24.9 1.0
NE C:ARG8 2.9 38.9 1.0
O C:HOH153 3.3 54.9 1.0
NH2 C:ARG8 3.4 36.7 1.0
CG C:ARG8 3.5 37.6 1.0
CD2 C:HIS27 3.6 23.9 1.0
CZ C:ARG8 3.6 38.1 1.0
CE1 C:HIS27 3.7 25.9 1.0
CD C:ARG8 3.8 38.3 1.0
O C:HOH176 4.6 55.0 1.0
CG C:HIS27 4.8 24.7 1.0
ND1 C:HIS27 4.8 25.6 1.0
CB C:ARG8 4.9 35.4 1.0
NH1 C:ARG8 4.9 38.8 1.0

Chlorine binding site 6 out of 8 in 1zmq

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Chlorine binding site 6 out of 8 in the Crystal Structure of Human Alpha-Defensin-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Alpha-Defensin-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl508

b:56.4
occ:0.50
 NH1 C:ARG28 3.1 57.9 1.0
N C:CYS10 3.1 35.8 1.0
O C:HOH226 3.2 65.8 1.0
CZ C:ARG28 3.6 56.6 1.0
CB C:SER9 3.7 37.8 1.0
CD C:ARG28 3.7 49.1 1.0
CA C:SER9 3.8 35.3 1.0
NE C:ARG28 3.8 54.2 1.0
CB C:CYS10 3.8 35.3 1.0
O C:HOH208 3.9 74.5 1.0
C C:SER9 3.9 34.7 1.0
SG C:CYS10 4.0 34.5 1.0
CA C:CYS10 4.0 35.7 1.0
O C:HOH125 4.2 57.8 1.0
O C:CYS10 4.3 36.5 1.0
NH2 C:ARG28 4.4 57.2 1.0
C C:CYS10 4.6 36.5 1.0
O C:HOH156 4.7 70.7 1.0
CB C:SER16 4.7 34.9 1.0
O C:HOH145 4.9 53.8 1.0
OG C:SER16 4.9 36.7 1.0
O C:HOH276 4.9 74.1 1.0
OG C:SER9 5.0 39.9 1.0

Chlorine binding site 7 out of 8 in 1zmq

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Chlorine binding site 7 out of 8 in the Crystal Structure of Human Alpha-Defensin-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human Alpha-Defensin-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:50.1
occ:0.80
 N D:ALA1 3.3 28.1 1.0
CA D:ALA1 3.8 29.4 1.0
CB D:ALA1 4.1 29.5 1.0
CL D:CL504 4.4 29.8 0.8
O D:HOH105 4.4 37.4 1.0

Chlorine binding site 8 out of 8 in 1zmq

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Chlorine binding site 8 out of 8 in the Crystal Structure of Human Alpha-Defensin-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human Alpha-Defensin-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:29.8
occ:0.80
 O D:HOH105 3.2 37.4 1.0
CL D:CL503 4.4 50.1 0.8
CE1 D:PHE2 4.8 29.2 1.0
N D:ALA1 4.9 28.1 1.0

Reference:

A.Szyk, Z.Wu, K.Tucker, D.Yang, W.Lu, J.Lubkowski. Crystal Structures of Human {Alpha}-Defensins HNP4, HD5, and HD6. Protein Sci. V. 15 2749 2006.
ISSN: ISSN 0961-8368
PubMed: 17088326
DOI: 10.1110/PS.062336606
Page generated: Sat Jul 20 04:46:03 2024

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