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Chlorine in PDB 4wmu: Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A

Protein crystallography data

The structure of Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A, PDB code: 4wmu was solved by M.C.Clifton, J.W.Faiman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.46 / 1.55
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 98.870, 135.900, 37.680, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 19

Other elements in 4wmu:

The structure of Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A (pdb code 4wmu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A, PDB code: 4wmu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4wmu

Go back to Chlorine Binding Sites List in 4wmu
Chlorine binding site 1 out of 2 in the Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:24.9
occ:1.00
CL2 A:19H402 0.0 24.9 1.0
CAT A:19H402 1.8 26.1 1.0
CAG A:19H402 2.7 22.8 1.0
CAK A:19H402 2.8 26.4 1.0
O A:ALA227 3.5 19.5 1.0
CB A:MET231 3.6 25.1 1.0
CD1 A:PHE228 3.7 12.8 1.0
C A:ALA227 3.8 19.8 1.0
CAH A:19H402 4.0 19.6 1.0
CB A:ALA227 4.0 17.7 1.0
CAY A:19H402 4.1 28.2 1.0
CE A:MET231 4.1 43.8 1.0
N A:PHE228 4.1 15.4 1.0
CG A:MET231 4.2 29.2 1.0
CE1 A:PHE228 4.2 12.3 1.0
O A:HOH610 4.3 39.9 1.0
CA A:PHE228 4.3 15.3 1.0
CA A:ALA227 4.5 20.3 1.0
CAZ A:19H402 4.6 21.8 1.0
SD A:MET231 4.8 39.5 1.0
CG A:PHE228 4.9 12.6 1.0
CA A:MET231 4.9 21.1 1.0

Chlorine binding site 2 out of 2 in 4wmu

Go back to Chlorine Binding Sites List in 4wmu
Chlorine binding site 2 out of 2 in the Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Mbp-MCL1 Bound to Ligand 2 at 1.55A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:21.5
occ:1.00
CL1 A:19H402 0.0 21.5 1.0
CAV A:19H402 1.7 18.9 1.0
CAS A:19H402 2.7 15.9 1.0
CAR A:19H402 2.7 16.7 1.0
CAB A:19H402 3.0 19.2 1.0
CAA A:19H402 3.1 22.2 1.0
CD1 A:LEU246 3.7 24.7 1.0
CD2 A:LEU246 3.9 24.2 1.0
CE2 A:PHE270 3.9 18.5 1.0
CAJ A:19H402 4.0 16.4 1.0
CAI A:19H402 4.0 17.8 1.0
CB A:LEU246 4.0 20.1 1.0
CG A:LEU246 4.1 20.7 1.0
CG A:MET250 4.1 24.8 1.0
CD2 A:PHE270 4.2 17.0 1.0
CD1 A:LEU235 4.2 27.9 1.0
SD A:MET250 4.5 27.4 1.0
CAU A:19H402 4.5 17.1 1.0
CD1 A:ILE237 4.8 29.5 1.0
CG2 A:VAL274 4.8 15.5 1.0
CE A:MET250 5.0 22.8 1.0

Reference:

M.C.Clifton, D.M.Dranow, A.Leed, B.Fulroth, J.W.Fairman, J.Abendroth, K.A.Atkins, E.Wallace, D.Fan, G.Xu, Z.J.Ni, D.Daniels, J.Van Drie, G.Wei, A.B.Burgin, T.R.Golub, B.K.Hubbard, M.H.Serrano-Wu. A Maltose-Binding Protein Fusion Construct Yields A Robust Crystallography Platform For MCL1. Plos One V. 10 25010 2015.
ISSN: ESSN 1932-6203
PubMed: 25909780
DOI: 10.1371/JOURNAL.PONE.0125010
Page generated: Sat Dec 12 11:18:22 2020

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