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Chlorine in PDB 1gi6: A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site

Enzymatic activity of A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site

All present enzymatic activity of A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site:
3.4.21.4;

Protein crystallography data

The structure of A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site, PDB code: 1gi6 was solved by B.A.Katz, K.Elrod, C.Luong, M.Rice, R.L.Mackman, P.A.Sprengeler, J.Spencer, J.Hatayte, J.Janc, J.Link, J.Litvak, R.Rai, K.Rice, S.Sideris, E.Verner, W.Young, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.49
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.730, 63.400, 69.300, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 20.9

Other elements in 1gi6:

The structure of A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site (pdb code 1gi6). 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 A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site, PDB code: 1gi6:

Chlorine binding site 1 out of 1 in 1gi6

Go back to Chlorine Binding Sites List in 1gi6
Chlorine binding site 1 out of 1 in the A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl260

b:37.2
occ:0.81
 H A:GLY174 2.4 19.7 1.0
O A:HOH718 3.3 45.9 1.0
H1 A:HOH718 3.3 49.3 1.0
N A:GLY174 3.4 17.9 1.0
HB3 A:LYS169 3.5 18.9 1.0
HA A:PRO173 3.5 19.0 1.0
HA2 A:GLY174 3.5 20.2 1.0
H2 A:HOH718 4.0 49.0 1.0
CA A:GLY174 4.0 21.9 1.0
HD3 A:LYS169 4.1 22.4 1.0
C A:PRO173 4.3 19.6 1.0
CA A:PRO173 4.3 18.8 1.0
HG2 A:LYS169 4.3 20.9 1.0
O A:HOH907 4.4 49.4 1.0
CB A:LYS169 4.5 17.8 1.0
HE2 A:LYS169 4.7 22.5 0.4
H2 A:HOH907 4.7 47.1 1.0
HA3 A:GLY174 4.7 21.3 1.0
CG A:LYS169 4.8 20.2 1.0
HB3 A:PRO173 4.8 20.5 1.0
O A:LYS169 4.8 17.8 1.0
CD A:LYS169 4.8 23.3 1.0
HB2 A:PRO173 4.9 20.7 1.0
CB A:PRO173 4.9 20.6 1.0
HA A:LYS169 5.0 17.8 1.0

Reference:

B.A.Katz, K.Elrod, C.Luong, M.J.Rice, R.L.Mackman, P.A.Sprengeler, J.Spencer, J.Hataye, J.Janc, J.Link, J.Litvak, R.Rai, K.Rice, S.Sideris, E.Verner, W.Young. A Novel Serine Protease Inhibition Motif Involving A Multi-Centered Short Hydrogen Bonding Network at the Active Site. J.Mol.Biol. V. 307 1451 2001.
ISSN: ISSN 0022-2836
PubMed: 11292354
DOI: 10.1006/JMBI.2001.4516
Page generated: Sat Dec 12 08:36:02 2020

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