Atomistry » Chlorine » PDB 1o5e-1omy » 1o5e
Atomistry »
  Chlorine »
    PDB 1o5e-1omy »
      1o5e »

Chlorine in PDB 1o5e: Dissecting and Designing Inhibitor Selectivity Determinants at the S1 Site Using An Artificial ALA190 Protease (ALA190 Upa)

Protein crystallography data

The structure of Dissecting and Designing Inhibitor Selectivity Determinants at the S1 Site Using An Artificial ALA190 Protease (ALA190 Upa), PDB code: 1o5e was solved by B.A.Katz, C.Luong, J.D.Ho, J.R.Somoza, E.Gjerstad, J.Tang, S.R.Williams, E.Verner, R.L.Mackman, W.B.Young, P.A.Sprengeler, H.Chan, K.Mortara, J.W.Janc, M.E.Mcgrath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.770, 47.880, 63.330, 90.00, 104.77, 90.00
R / Rfree (%) 19.8 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Dissecting and Designing Inhibitor Selectivity Determinants at the S1 Site Using An Artificial ALA190 Protease (ALA190 Upa) (pdb code 1o5e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Dissecting and Designing Inhibitor Selectivity Determinants at the S1 Site Using An Artificial ALA190 Protease (ALA190 Upa), PDB code: 1o5e:

Chlorine binding site 1 out of 1 in 1o5e

Go back to Chlorine Binding Sites List in 1o5e
Chlorine binding site 1 out of 1 in the Dissecting and Designing Inhibitor Selectivity Determinants at the S1 Site Using An Artificial ALA190 Protease (ALA190 Upa)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dissecting and Designing Inhibitor Selectivity Determinants at the S1 Site Using An Artificial ALA190 Protease (ALA190 Upa) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl256

b:33.2
occ:1.00
CL2 H:132256 0.0 33.2 1.0
C2 H:132256 1.8 34.0 1.0
HH21 H:132256 2.0 38.6 1.0
HG11 H:VAL213 2.7 19.8 1.0
C3 H:132256 2.7 35.9 1.0
HC3 H:132256 2.8 35.5 1.0
C1 H:132256 2.9 34.9 1.0
N2 H:132256 2.9 38.1 1.0
HB2 H:ALA190 3.0 22.9 1.0
HG12 H:VAL213 3.3 18.3 1.0
H H:VAL227 3.3 20.9 1.0
C7 H:132256 3.3 30.2 1.0
O H:TRP215 3.3 24.6 1.0
H H:TRP215 3.4 24.7 1.0
CG1 H:VAL213 3.4 20.6 1.0
H H:SER214 3.5 21.9 1.0
HA3 H:GLY226 3.6 27.9 1.0
N H:TRP215 3.6 24.0 1.0
HH22 H:132256 3.7 38.0 1.0
C H:TRP215 3.8 27.4 1.0
O H:VAL227 3.8 22.1 1.0
HA2 H:GLY226 3.8 25.6 1.0
CB H:ALA190 3.9 23.4 1.0
HA H:TRP215 3.9 29.0 1.0
N H:SER214 3.9 22.4 1.0
HA H:VAL213 3.9 19.9 1.0
HB1 H:ALA190 4.0 21.9 1.0
C4 H:132256 4.0 33.8 1.0
N H:VAL227 4.0 23.7 1.0
CA H:TRP215 4.0 26.9 1.0
HG13 H:VAL213 4.0 20.5 1.0
CA H:GLY226 4.1 25.6 1.0
C6 H:132256 4.1 29.2 1.0
C H:SER214 4.2 25.5 1.0
HB3 H:ALA190 4.4 22.8 1.0
C H:VAL213 4.4 21.3 1.0
CA H:VAL213 4.5 20.1 1.0
C H:GLY226 4.5 21.3 1.0
C5 H:132256 4.6 31.9 1.0
CB H:VAL213 4.6 15.8 1.0
N1 H:132256 4.6 33.7 1.0
C H:VAL227 4.6 25.8 1.0
CZ H:TYR228 4.6 24.0 1.0
CA H:SER214 4.7 22.4 1.0
OH H:TYR228 4.7 23.4 1.0
HA3 H:GLY216 4.7 33.5 1.0
N H:GLY216 4.7 32.1 1.0
HH H:TYR228 4.7 22.6 1.0
HG23 H:VAL213 4.8 16.7 1.0
H H:ALA190 4.9 27.8 1.0
O H:SER214 4.9 25.8 1.0
CE2 H:TYR228 4.9 25.5 1.0
CE1 H:TYR228 4.9 25.0 1.0
CA H:VAL227 5.0 25.4 1.0
C H:ALA190 5.0 26.1 1.0

Reference:

B.A.Katz, C.Luong, J.D.Ho, J.R.Somoza, E.Gjerstad, J.Tang, S.R.Williams, E.Verner, R.L.Mackman, W.B.Young, P.A.Sprengeler, H.Chan, K.Mortara, J.W.Janc, M.E.Mcgrath. Dissecting and Designing Inhibitor Selectivity Determinants at the S1 Site Using An Artificial ALA190 Protease (ALA190 Upa). J.Mol.Biol. V. 344 527 2004.
ISSN: ISSN 0022-2836
PubMed: 15522303
DOI: 10.1016/J.JMB.2004.09.032
Page generated: Sat Jul 20 00:48:24 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy