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Chlorine in PDB 5hb3: Crystal Structure of Chaetomium Thermophilum NIC96 Sol-NUP53 Complex

Protein crystallography data

The structure of Crystal Structure of Chaetomium Thermophilum NIC96 Sol-NUP53 Complex, PDB code: 5hb3 was solved by D.H.Lin, T.Stuwe, A.Hoelz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.29 / 2.65
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.520, 86.950, 98.010, 100.69, 99.59, 95.66
R / Rfree (%) 21.2 / 24.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Chaetomium Thermophilum NIC96 Sol-NUP53 Complex (pdb code 5hb3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Chaetomium Thermophilum NIC96 Sol-NUP53 Complex, PDB code: 5hb3:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5hb3

Go back to Chlorine Binding Sites List in 5hb3
Chlorine binding site 1 out of 3 in the Crystal Structure of Chaetomium Thermophilum NIC96 Sol-NUP53 Complex


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 Chaetomium Thermophilum NIC96 Sol-NUP53 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1201

b:62.1
occ:1.00
H A:LEU648 2.6 78.3 1.0
HD1 A:TRP658 2.7 56.0 1.0
HD11 B:ILE76 2.9 93.7 1.0
HB2 A:TRP658 2.9 57.8 1.0
HD13 B:ILE76 3.1 93.7 1.0
HA A:TRP658 3.1 54.7 1.0
HA A:SER647 3.2 66.4 1.0
HG1 A:THR653 3.3 86.2 1.0
CD1 B:ILE76 3.4 78.1 1.0
N A:LEU648 3.4 65.3 1.0
CD1 A:TRP658 3.5 46.7 1.0
HB2 A:LEU648 3.5 84.5 1.0
HB2 A:SER647 3.6 70.7 1.0
CB A:TRP658 3.6 48.1 1.0
HD12 B:ILE76 3.7 93.7 1.0
CA A:TRP658 3.7 45.6 1.0
CG A:TRP658 4.0 48.4 1.0
OG1 A:THR653 4.0 71.8 1.0
CA A:SER647 4.0 55.3 1.0
HG A:LEU648 4.0 86.5 1.0
HD12 A:LEU648 4.1 76.0 1.0
N A:TRP658 4.2 47.2 1.0
C A:SER647 4.2 61.2 1.0
CB A:SER647 4.2 58.9 1.0
CB A:LEU648 4.2 70.4 1.0
H A:TRP658 4.3 56.6 1.0
CA A:LEU648 4.3 63.9 1.0
HB A:THR653 4.3 85.5 1.0
HB3 A:TRP658 4.5 57.8 1.0
HB3 A:SER647 4.5 70.7 1.0
CG A:LEU648 4.5 72.1 1.0
HD22 A:LEU661 4.5 56.9 1.0
O A:LEU648 4.6 79.0 1.0
HD23 A:LEU661 4.6 56.9 1.0
CB A:THR653 4.7 71.3 1.0
HG21 A:THR653 4.7 81.1 1.0
CG1 B:ILE76 4.7 79.6 1.0
C A:LEU648 4.8 71.0 1.0
NE1 A:TRP658 4.8 46.2 1.0
CD1 A:LEU648 4.8 63.3 1.0
HG12 B:ILE76 4.8 95.5 1.0
C A:ASP657 4.8 47.9 1.0
HB2 A:ASP657 4.9 65.7 1.0
O A:ASP654 5.0 59.2 1.0
HG21 B:ILE76 5.0 74.7 1.0

Chlorine binding site 2 out of 3 in 5hb3

Go back to Chlorine Binding Sites List in 5hb3
Chlorine binding site 2 out of 3 in the Crystal Structure of Chaetomium Thermophilum NIC96 Sol-NUP53 Complex


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 Chaetomium Thermophilum NIC96 Sol-NUP53 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1201

b:57.1
occ:1.00
H C:LEU648 2.5 77.2 1.0
HD1 C:TRP658 2.7 63.1 1.0
HB2 C:TRP658 2.9 53.6 1.0
HD11 D:ILE76 3.0 88.3 1.0
HD13 D:ILE76 3.1 88.3 1.0
HB2 C:LEU648 3.2 74.6 1.0
HA C:TRP658 3.3 54.0 1.0
N C:LEU648 3.3 64.3 1.0
HA C:SER647 3.3 74.3 1.0
CD1 D:ILE76 3.5 73.6 1.0
HG1 C:THR653 3.5 75.6 1.0
CD1 C:TRP658 3.5 52.6 1.0
CB C:TRP658 3.6 44.7 1.0
HG C:LEU648 3.7 76.2 1.0
CA C:TRP658 3.9 45.0 1.0
HD12 C:LEU648 3.9 70.8 1.0
HB3 C:SER647 3.9 77.1 1.0
CB C:LEU648 3.9 62.2 1.0
CG C:TRP658 4.0 47.6 1.0
HD12 D:ILE76 4.1 88.3 1.0
CA C:SER647 4.1 61.9 1.0
CA C:LEU648 4.1 58.8 1.0
OG1 C:THR653 4.1 63.0 1.0
C C:SER647 4.2 66.7 1.0
CG C:LEU648 4.2 63.5 1.0
N C:TRP658 4.3 48.2 1.0
H C:TRP658 4.4 57.9 1.0
HB3 C:TRP658 4.5 53.6 1.0
CB C:SER647 4.5 64.2 1.0
HG12 D:ILE76 4.5 95.7 1.0
CD1 C:LEU648 4.5 59.0 1.0
HB C:THR653 4.6 70.1 1.0
C C:LEU648 4.7 69.7 1.0
CG1 D:ILE76 4.7 79.7 1.0
O C:LEU648 4.7 71.8 1.0
HB3 C:LEU648 4.7 74.6 1.0
NE1 C:TRP658 4.8 57.5 1.0
HD23 C:LEU661 4.8 62.8 1.0
HG21 D:ILE76 4.9 78.9 1.0
HB2 C:ASP657 4.9 52.1 1.0
C C:ASP657 4.9 46.5 1.0
CB C:THR653 5.0 58.4 1.0
HD22 C:LEU661 5.0 62.8 1.0
HA C:LEU648 5.0 70.6 1.0

Chlorine binding site 3 out of 3 in 5hb3

Go back to Chlorine Binding Sites List in 5hb3
Chlorine binding site 3 out of 3 in the Crystal Structure of Chaetomium Thermophilum NIC96 Sol-NUP53 Complex


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 Chaetomium Thermophilum NIC96 Sol-NUP53 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1202

b:51.6
occ:1.00
HE A:ARG671 2.5 81.2 1.0
H C:LEU539 2.6 56.5 1.0
H C:VAL540 2.7 72.2 1.0
HB3 C:LEU539 2.8 57.3 1.0
HH21 A:ARG671 2.8 87.8 1.0
HA C:LYS537 2.9 66.9 1.0
HG22 C:VAL540 3.1 65.6 1.0
HA C:ILE534 3.3 53.1 1.0
NE A:ARG671 3.4 67.7 1.0
N C:LEU539 3.4 47.1 1.0
N C:VAL540 3.5 60.2 1.0
HG23 C:VAL540 3.6 65.6 1.0
CB C:LEU539 3.6 47.7 1.0
NH2 A:ARG671 3.6 73.2 1.0
CA C:LYS537 3.8 55.8 1.0
CG2 C:VAL540 3.8 54.7 1.0
O C:VAL540 3.8 62.6 1.0
C C:LYS537 3.8 46.5 1.0
HB2 C:LEU539 3.8 57.3 1.0
CA C:LEU539 3.9 44.5 1.0
HG3 A:ARG671 3.9 66.8 1.0
N C:THR538 3.9 45.2 1.0
H C:THR538 3.9 54.2 1.0
CZ A:ARG671 4.0 69.5 1.0
HG2 A:ARG671 4.1 66.8 1.0
C C:LEU539 4.2 46.1 1.0
O C:LYS537 4.3 49.6 1.0
O C:ARG533 4.3 45.7 1.0
CA C:ILE534 4.3 44.2 1.0
CG A:ARG671 4.3 55.7 1.0
HH22 A:ARG671 4.3 87.8 1.0
O C:ILE534 4.4 53.6 1.0
HG21 C:VAL540 4.4 65.6 1.0
CA C:VAL540 4.4 61.2 1.0
H C:LYS537 4.4 58.4 1.0
CD A:ARG671 4.4 64.0 1.0
C C:THR538 4.5 50.6 1.0
HG12 C:ILE534 4.5 61.3 1.0
HG23 C:ILE534 4.5 66.4 1.0
HD23 C:LEU539 4.5 55.6 1.0
C C:VAL540 4.5 63.9 1.0
HB3 C:LYS537 4.6 64.8 1.0
N C:LYS537 4.6 48.7 1.0
CA C:THR538 4.7 46.3 1.0
CB C:VAL540 4.7 60.2 1.0
CB C:LYS537 4.8 54.0 1.0
CG C:LEU539 4.8 49.4 1.0
C C:ILE534 4.8 47.8 1.0
HG2 C:LYS537 4.8 69.1 1.0
HA C:LEU539 4.8 53.4 1.0
HA C:THR538 4.9 55.6 1.0
HG C:LEU539 5.0 59.3 1.0

Reference:

D.H.Lin, T.Stuwe, S.Schilbach, E.J.Rundlet, T.Perriches, G.Mobbs, Y.Fan, K.Thierbach, F.M.Huber, L.N.Collins, A.M.Davenport, Y.E.Jeon, A.Hoelz. Architecture of the Symmetric Core of the Nuclear Pore. Science V. 352 F1015 2016.
ISSN: ESSN 1095-9203
PubMed: 27081075
DOI: 10.1126/SCIENCE.AAF1015
Page generated: Sat Dec 12 11:48:09 2020

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