Chlorine in PDB 6jyp: Crystal Structure of UPA_H99Y in Complex with 3-Azanyl-5-(Azepan-1- Yl)-N-[Bis(Azanyl)Methylidene]-6-Chloranyl-Pyrazine-2-Carboxamide

Enzymatic activity of Crystal Structure of UPA_H99Y in Complex with 3-Azanyl-5-(Azepan-1- Yl)-N-[Bis(Azanyl)Methylidene]-6-Chloranyl-Pyrazine-2-Carboxamide

All present enzymatic activity of Crystal Structure of UPA_H99Y in Complex with 3-Azanyl-5-(Azepan-1- Yl)-N-[Bis(Azanyl)Methylidene]-6-Chloranyl-Pyrazine-2-Carboxamide:
3.4.21.73;

Protein crystallography data

The structure of Crystal Structure of UPA_H99Y in Complex with 3-Azanyl-5-(Azepan-1- Yl)-N-[Bis(Azanyl)Methylidene]-6-Chloranyl-Pyrazine-2-Carboxamide, PDB code: 6jyp was solved by B.Buckley, L.G.Jiang, M.D.Huang, M.Kelso, M.Ranson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.33 / 2.25
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 121.242, 121.242, 42.174, 90.00, 90.00, 120.00
R / Rfree (%) 19.3 / 25.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of UPA_H99Y in Complex with 3-Azanyl-5-(Azepan-1- Yl)-N-[Bis(Azanyl)Methylidene]-6-Chloranyl-Pyrazine-2-Carboxamide (pdb code 6jyp). 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 Crystal Structure of UPA_H99Y in Complex with 3-Azanyl-5-(Azepan-1- Yl)-N-[Bis(Azanyl)Methylidene]-6-Chloranyl-Pyrazine-2-Carboxamide, PDB code: 6jyp:

Chlorine binding site 1 out of 1 in 6jyp

Go back to Chlorine Binding Sites List in 6jyp
Chlorine binding site 1 out of 1 in the Crystal Structure of UPA_H99Y in Complex with 3-Azanyl-5-(Azepan-1- Yl)-N-[Bis(Azanyl)Methylidene]-6-Chloranyl-Pyrazine-2-Carboxamide


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 UPA_H99Y in Complex with 3-Azanyl-5-(Azepan-1- Yl)-N-[Bis(Azanyl)Methylidene]-6-Chloranyl-Pyrazine-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:62.4
occ:1.00
 CL1 U:HMX301 0.0 62.4 1.0
C1 U:HMX301 1.8 63.2 1.0
N2 U:HMX301 2.7 62.3 1.0
C2 U:HMX301 2.8 67.0 1.0
C6 U:HMX301 3.0 78.7 1.0
N4 U:HMX301 3.2 75.3 1.0
SG U:CYS220 3.9 47.1 1.0
C4 U:HMX301 3.9 56.1 1.0
N1 U:HMX301 4.0 61.4 1.0
N U:GLN192 4.2 44.4 1.0
CB U:GLN192 4.2 43.1 1.0
O U:GLY219 4.3 40.5 1.0
C7 U:HMX301 4.4 81.2 1.0
C3 U:HMX301 4.5 59.7 1.0
C11 U:HMX301 4.6 76.0 1.0
C U:GLY219 4.6 44.9 1.0
CA U:GLN192 4.6 40.8 1.0
CA U:GLY219 4.6 44.9 1.0
N U:GLY219 4.6 44.2 1.0
O U:GLY216 4.6 49.7 1.0
SG U:CYS191 4.7 41.8 1.0
C8 U:HMX301 4.9 85.0 1.0
N5 U:HMX301 4.9 49.2 1.0
C5 U:HMX301 5.0 51.7 1.0

Reference:

B.Buckley, L.G.Jiang, M.D.Huang, M.Kelso, M.Ranson. Upa-Hma To Be Published.
Page generated: Sat Dec 12 13:12:45 2020

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