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Chlorine in PDB 6oi8: Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6S)-6-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl)- 6-(2-Chloro-6-(Pyridin-3-Yl)Phenyl)Pyrido[2,3-D]Pyrimidin-2-Amine

Enzymatic activity of Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6S)-6-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl)- 6-(2-Chloro-6-(Pyridin-3-Yl)Phenyl)Pyrido[2,3-D]Pyrimidin-2-Amine

All present enzymatic activity of Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6S)-6-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl)- 6-(2-Chloro-6-(Pyridin-3-Yl)Phenyl)Pyrido[2,3-D]Pyrimidin-2-Amine:
6.3.4.14; 6.4.1.2;

Protein crystallography data

The structure of Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6S)-6-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl)- 6-(2-Chloro-6-(Pyridin-3-Yl)Phenyl)Pyrido[2,3-D]Pyrimidin-2-Amine, PDB code: 6oi8 was solved by L.D.Andrews, T.R.Kane, P.Dozzo, C.M.Haglund, D.J.Hilderbrandt, M.S.Linsell, T.Machajewski, G.Mcenroe, A.W.Serio, K.B.Wlasichuk, D.B.Neau, S.Pakhomova, G.L.Waldrop, M.Sharp, J.Pogliano, R.Cirz, F.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.15 / 2.50
Space group P 64
Cell size a, b, c (Å), α, β, γ (°) 86.321, 86.321, 102.750, 90.00, 90.00, 120.00
R / Rfree (%) 18.6 / 25.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6S)-6-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl)- 6-(2-Chloro-6-(Pyridin-3-Yl)Phenyl)Pyrido[2,3-D]Pyrimidin-2-Amine (pdb code 6oi8). 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 Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6S)-6-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl)- 6-(2-Chloro-6-(Pyridin-3-Yl)Phenyl)Pyrido[2,3-D]Pyrimidin-2-Amine, PDB code: 6oi8:

Chlorine binding site 1 out of 1 in 6oi8

Go back to Chlorine Binding Sites List in 6oi8
Chlorine binding site 1 out of 1 in the Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6S)-6-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl)- 6-(2-Chloro-6-(Pyridin-3-Yl)Phenyl)Pyrido[2,3-D]Pyrimidin-2-Amine


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 Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6S)-6-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl)- 6-(2-Chloro-6-(Pyridin-3-Yl)Phenyl)Pyrido[2,3-D]Pyrimidin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:61.0
occ:1.00
 CLE A:MQV502 0.0 61.0 1.0
CAU A:MQV502 1.8 61.6 1.0
CAV A:MQV502 2.7 59.6 1.0
CAT A:MQV502 2.7 63.6 1.0
CAS A:MQV502 3.0 64.3 1.0
CAM A:MQV502 3.3 65.7 1.0
CD2 A:LEU278 3.4 56.1 1.0
NAB A:MQV502 3.5 66.3 1.0
CAR A:MQV502 3.7 63.6 1.0
CG A:HIS209 3.7 42.5 1.0
CD2 A:HIS209 3.8 42.9 1.0
CAK A:MQV502 3.9 66.8 1.0
ND1 A:HIS209 4.0 41.3 1.0
CAW A:MQV502 4.0 58.6 1.0
NE2 A:HIS209 4.1 41.8 1.0
CAY A:MQV502 4.1 62.1 1.0
CD1 A:ILE287 4.2 50.2 1.0
CB A:HIS209 4.2 43.0 1.0
CE1 A:HIS209 4.2 41.1 1.0
NAC A:MQV502 4.2 67.1 1.0
CAH A:MQV502 4.3 65.9 1.0
CAJ A:MQV502 4.4 66.7 1.0
C5 A:MQV502 4.5 64.3 1.0
CAX A:MQV502 4.5 61.4 1.0
CD1 A:ILE437 4.6 46.3 1.0
CAL A:MQV502 4.7 66.4 1.0
CG2 A:ILE437 4.7 42.5 1.0
C4 A:MQV502 4.7 66.1 1.0
CG A:LEU278 4.9 57.9 1.0
CA A:HIS209 4.9 44.3 1.0
CAI A:MQV502 4.9 66.8 1.0

Reference:

L.D.Andrews, T.R.Kane, P.Dozzo, C.M.Haglund, D.J.Hilderbrandt, M.S.Linsell, T.Machajewski, G.Mcenroe, A.W.Serio, K.B.Wlasichuk, D.B.Neau, S.Pakhomova, G.L.Waldrop, M.Sharp, J.Pogliano, R.T.Cirz, F.Cohen. Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase. J.Med.Chem. V. 62 7489 2019.
ISSN: ISSN 0022-2623
PubMed: 31306011
DOI: 10.1021/ACS.JMEDCHEM.9B00625
Page generated: Mon Jul 29 12:41:08 2024

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