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Chlorine in PDB 2q7m: Crystal Structure of Human Flap with Mk-591

Protein crystallography data

The structure of Crystal Structure of Human Flap with Mk-591, PDB code: 2q7m was solved by A.D.Ferguson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 4.25
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 180.600, 180.600, 140.570, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / 28.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Flap with Mk-591 (pdb code 2q7m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Flap with Mk-591, PDB code: 2q7m:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2q7m

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Chlorine binding site 1 out of 6 in the Crystal Structure of Human Flap with Mk-591


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 Flap with Mk-591 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:0.9
occ:1.00
CL17 C:2CS501 0.0 0.9 1.0
C16 C:2CS501 1.7 0.8 1.0
C15 C:2CS501 2.5 0.7 1.0
C13 C:2CS501 2.7 0.6 1.0
CB C:PHE25 2.8 0.7 1.0
CA C:PHE25 3.1 0.3 1.0
CG C:PHE25 3.4 0.4 1.0
CD1 C:PHE25 3.6 0.8 1.0
N C:PHE25 3.7 0.3 1.0
C14 C:2CS501 3.8 0.7 1.0
C12 C:2CS501 3.9 0.6 1.0
O C:VAL21 4.2 0.7 1.0
C11 C:2CS501 4.3 0.7 1.0
CD2 C:PHE25 4.3 0.1 1.0
C C:PHE25 4.4 0.0 1.0
C C:GLY24 4.4 0.1 1.0
O C:GLY24 4.6 0.8 1.0
CE1 C:PHE25 4.7 0.6 1.0
O C:PHE25 4.9 0.2 1.0

Chlorine binding site 2 out of 6 in 2q7m

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Chlorine binding site 2 out of 6 in the Crystal Structure of Human Flap with Mk-591


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 Flap with Mk-591 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:1.0
occ:1.00
CL17 A:2CS502 0.0 1.0 1.0
C16 A:2CS502 1.7 0.8 1.0
C13 A:2CS502 2.6 0.8 1.0
C15 A:2CS502 2.6 0.7 1.0
C12 A:2CS502 3.9 0.7 1.0
C14 A:2CS502 3.9 0.7 1.0
CB A:PHE25 4.2 0.7 1.0
C11 A:2CS502 4.3 0.7 1.0
CG A:PHE25 4.6 0.5 1.0
CD1 A:PHE25 4.8 0.7 1.0

Chlorine binding site 3 out of 6 in 2q7m

Go back to Chlorine Binding Sites List in 2q7m
Chlorine binding site 3 out of 6 in the Crystal Structure of Human Flap with Mk-591


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 Flap with Mk-591 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:0.6
occ:1.00
CL17 A:2CS503 0.0 0.6 1.0
C16 A:2CS503 1.7 0.5 1.0
C13 A:2CS503 2.6 0.4 1.0
C15 A:2CS503 2.7 0.4 1.0
CB B:PHE25 2.9 0.6 1.0
CA B:PHE25 3.4 0.4 1.0
CG B:PHE25 3.5 0.1 1.0
CD1 B:PHE25 3.8 0.4 1.0
C12 A:2CS503 3.9 0.4 1.0
N B:PHE25 3.9 0.6 1.0
C14 A:2CS503 4.0 0.3 1.0
O B:VAL21 4.2 0.7 1.0
C11 A:2CS503 4.4 0.3 1.0
CD2 B:PHE25 4.6 0.5 1.0
O5 A:2CS503 4.6 0.4 1.0
C B:PHE25 4.7 0.6 1.0
C B:GLY24 4.8 0.0 1.0
CE1 B:PHE25 4.9 0.5 1.0

Chlorine binding site 4 out of 6 in 2q7m

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Chlorine binding site 4 out of 6 in the Crystal Structure of Human Flap with Mk-591


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 Flap with Mk-591 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:0.0
occ:1.00
CL17 D:2CS504 0.0 0.0 1.0
C16 D:2CS504 1.7 0.9 1.0
C15 D:2CS504 2.6 0.9 1.0
C13 D:2CS504 2.6 0.8 1.0
CB D:PHE25 3.6 0.5 1.0
C14 D:2CS504 3.9 0.8 1.0
C12 D:2CS504 3.9 0.8 1.0
CA D:PHE25 4.1 0.2 1.0
O D:VAL21 4.2 0.3 1.0
C11 D:2CS504 4.4 0.8 1.0
CG D:PHE25 4.4 1.0 1.0
N D:PHE25 4.5 0.2 1.0
CD1 D:PHE25 4.7 0.4 1.0
CG2 D:VAL21 4.9 1.0 1.0

Chlorine binding site 5 out of 6 in 2q7m

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Chlorine binding site 5 out of 6 in the Crystal Structure of Human Flap with Mk-591


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 Flap with Mk-591 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl505

b:0.7
occ:1.00
CL17 E:2CS505 0.0 0.7 1.0
C16 E:2CS505 1.7 0.6 1.0
C15 E:2CS505 2.6 0.5 1.0
C13 E:2CS505 2.7 0.4 1.0
CB E:PHE25 2.8 0.3 1.0
CD1 E:PHE25 3.0 0.2 1.0
CG E:PHE25 3.3 0.0 1.0
CA E:PHE25 3.3 0.2 1.0
C14 E:2CS505 3.9 0.5 1.0
C12 E:2CS505 3.9 0.4 1.0
N E:PHE25 4.0 0.3 1.0
O E:VAL21 4.2 0.5 1.0
CE1 E:PHE25 4.2 0.7 1.0
C11 E:2CS505 4.4 0.4 1.0
CD2 E:PHE25 4.6 0.4 1.0
C E:PHE25 4.6 0.5 1.0
C E:GLY24 4.9 0.1 1.0

Chlorine binding site 6 out of 6 in 2q7m

Go back to Chlorine Binding Sites List in 2q7m
Chlorine binding site 6 out of 6 in the Crystal Structure of Human Flap with Mk-591


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 Flap with Mk-591 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl506

b:0.6
occ:1.00
CL17 E:2CS506 0.0 0.6 1.0
C16 E:2CS506 1.7 0.5 1.0
C15 E:2CS506 2.7 0.4 1.0
C13 E:2CS506 2.7 0.4 1.0
CB F:PHE25 2.8 0.2 1.0
CG F:PHE25 3.4 0.2 1.0
CA F:PHE25 3.8 0.8 1.0
CD1 F:PHE25 3.9 0.2 1.0
C14 E:2CS506 4.0 0.4 1.0
C12 E:2CS506 4.0 0.4 1.0
CD2 F:PHE25 4.1 0.5 1.0
N F:PHE25 4.5 1.0 1.0
C11 E:2CS506 4.5 0.4 1.0
O F:VAL21 4.6 0.5 1.0
CE1 F:PHE25 4.9 0.4 1.0

Reference:

A.D.Ferguson, B.M.Mckeever, S.Xu, D.Wisniewski, D.K.Miller, T.T.Yamin, R.H.Spencer, L.Chu, F.Ujjainwalla, B.R.Cunningham, J.F.Evans, J.W.Becker. Crystal Structure of Inhibitor-Bound Human 5-Lipoxygenase-Activating Protein. Science V. 317 510 2007.
ISSN: ISSN 0036-8075
PubMed: 17600184
DOI: 10.1126/SCIENCE.1144346
Page generated: Sat Dec 12 09:16:31 2020

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