Chlorine in PDB 3kw0: Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution

The structure of Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution, PDB code: 3kw0 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.77 / 2.50
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	64.960, 64.960, 407.800, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution (pdb code 3kw0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution, PDB code: 3kw0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


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 Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:65.7 occ:1.00 NH1 A:ARG72 3.0 37.1 1.0 N A:GLU84 3.0 39.0 1.0 ND1 A:HIS78 3.3 44.8 1.0 NH2 A:ARG72 3.3 46.2 1.0 O A:HOH205 3.5 18.5 1.0 CZ A:ARG72 3.6 42.6 1.0 CA A:GLU84 3.6 41.1 1.0 CB A:HIS78 3.7 37.9 1.0 OG B:SER125 3.9 45.2 1.0 CG A:HIS78 3.9 41.1 1.0 O A:ASN82 4.0 38.4 1.0 CD1 A:TYR83 4.0 30.3 1.0 C A:TYR83 4.1 38.3 1.0 CA A:TYR83 4.1 38.0 1.0 CB A:GLU84 4.3 41.1 1.0 CE1 A:HIS78 4.5 43.9 1.0 CE1 A:TYR83 4.5 33.5 1.0 OE2 A:GLU84 4.5 59.2 1.0 CG A:GLU84 4.7 50.2 1.0 CG A:TYR83 4.7 33.6 1.0 CG2 A:VAL74 4.8 35.2 1.0 CD A:GLU84 4.8 57.1 1.0 NE A:ARG72 4.8 41.5 1.0 C A:GLU84 4.9 40.5 1.0 C A:ASN82 4.9 37.6 1.0 CA A:HIS78 4.9 36.9 1.0 CB A:TYR83 5.0 38.3 1.0

Chlorine binding site 2 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


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 Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:53.9 occ:1.00 NE2 C:GLN134 3.1 30.2 1.0 O A:HOH207 3.2 26.4 1.0 N A:LEU34 3.2 31.0 1.0 CA A:TYR33 3.7 33.0 1.0 CB A:TYR33 3.8 34.1 1.0 CG C:GLN134 3.9 33.0 1.0 CD C:GLN134 4.0 34.0 1.0 C A:TYR33 4.0 32.2 1.0 CD1 A:TYR33 4.0 30.7 1.0 CG A:LEU34 4.0 27.4 1.0 CB A:LEU34 4.0 27.5 1.0 CA A:LEU34 4.2 30.4 1.0 CD1 A:LEU34 4.2 22.1 1.0 CG A:TYR33 4.4 34.9 1.0 O A:HOH210 5.0 31.8 1.0

Chlorine binding site 3 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


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 Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:56.7 occ:1.00 NE2 A:GLN134 3.1 29.9 1.0 N C:LEU34 3.2 31.8 1.0 CA C:TYR33 3.7 33.6 1.0 CB C:TYR33 3.8 34.3 1.0 CG A:GLN134 3.8 31.9 1.0 CD A:GLN134 3.9 33.8 1.0 C C:TYR33 3.9 32.3 1.0 CB C:LEU34 4.0 28.7 1.0 CG C:LEU34 4.0 26.9 1.0 CD1 C:TYR33 4.0 31.0 1.0 CA C:LEU34 4.2 30.6 1.0 CD1 C:LEU34 4.2 23.2 1.0 CG C:TYR33 4.4 35.5 1.0

Chlorine binding site 4 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


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 Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:63.9 occ:1.00 NH1 B:ARG72 2.9 37.5 1.0 N B:GLU84 3.2 39.3 1.0 ND1 B:HIS78 3.2 44.2 1.0 NH2 B:ARG72 3.3 45.8 1.0 CZ B:ARG72 3.5 42.2 1.0 O A:HOH206 3.5 27.1 1.0 CB B:HIS78 3.6 38.0 1.0 OG A:SER125 3.8 44.6 1.0 CA B:GLU84 3.8 41.2 1.0 CG B:HIS78 3.8 41.0 1.0 O B:ASN82 4.0 37.2 1.0 CD1 B:TYR83 4.1 30.4 1.0 CA B:TYR83 4.2 37.7 1.0 C B:TYR83 4.2 37.8 1.0 OE2 B:GLU84 4.3 58.7 1.0 CE1 B:HIS78 4.4 44.0 1.0 CE1 B:TYR83 4.5 32.5 1.0 CB B:GLU84 4.5 41.3 1.0 CG2 B:VAL74 4.7 35.1 1.0 CG B:GLU84 4.7 50.4 1.0 NE B:ARG72 4.8 40.0 1.0 CD B:GLU84 4.8 57.4 1.0 CG B:TYR83 4.8 34.7 1.0 CA B:HIS78 4.9 36.8 1.0 C B:ASN82 4.9 37.5 1.0

Chlorine binding site 5 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


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 Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:57.0 occ:1.00 N D:LEU34 3.1 30.5 1.0 NE2 B:GLN134 3.3 29.8 1.0 CA D:TYR33 3.8 32.7 1.0 CB D:LEU34 3.8 27.7 1.0 CB D:TYR33 3.8 34.3 1.0 CG D:LEU34 3.9 26.9 1.0 CG B:GLN134 3.9 32.2 1.0 C D:TYR33 3.9 31.4 1.0 CA D:LEU34 4.0 30.0 1.0 CD1 D:LEU34 4.1 21.5 1.0 CD B:GLN134 4.1 34.3 1.0 CD1 D:TYR33 4.2 31.9 1.0 CG D:TYR33 4.5 36.0 1.0 N D:VAL35 4.9 29.9 1.0 O D:HOH205 4.9 29.1 1.0

Chlorine binding site 6 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


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 Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:61.4 occ:1.00 NE2 D:GLN134 2.8 30.7 1.0 N B:LEU34 3.2 30.9 1.0 CB B:TYR33 3.7 34.5 1.0 CA B:TYR33 3.7 33.2 1.0 CG D:GLN134 3.7 33.8 1.0 CD D:GLN134 3.7 33.5 1.0 CD1 B:TYR33 3.9 30.8 1.0 C B:TYR33 3.9 32.2 1.0 CG B:LEU34 4.0 27.1 1.0 CB B:LEU34 4.1 29.0 1.0 CD1 B:LEU34 4.2 22.2 1.0 CA B:LEU34 4.2 29.9 1.0 CG B:TYR33 4.3 35.5 1.0 OE1 D:GLN134 4.9 38.5 1.0

Chlorine binding site 7 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:53.8 occ:1.00 NH1 C:ARG72 3.0 38.8 1.0 N C:GLU84 3.0 39.2 1.0 ND1 C:HIS78 3.3 45.4 1.0 NH2 C:ARG72 3.4 45.0 1.0 CB C:HIS78 3.6 37.8 1.0 CA C:GLU84 3.6 40.9 1.0 CZ C:ARG72 3.6 42.3 1.0 CG C:HIS78 3.9 41.6 1.0 O C:ASN82 3.9 37.6 1.0 C C:TYR83 4.1 38.4 1.0 CA C:TYR83 4.1 38.0 1.0 CD1 C:TYR83 4.1 31.4 1.0 OE2 C:GLU84 4.3 58.4 1.0 CB C:GLU84 4.3 41.6 1.0 CE1 C:HIS78 4.4 43.6 1.0 CE1 C:TYR83 4.5 33.1 1.0 CG C:GLU84 4.6 51.4 1.0 CG2 C:VAL74 4.7 35.4 1.0 CG C:TYR83 4.8 35.0 1.0 CD C:GLU84 4.8 57.1 1.0 C C:ASN82 4.9 37.5 1.0 C C:GLU84 4.9 40.5 1.0 CA C:HIS78 4.9 37.0 1.0 NE C:ARG72 4.9 40.8 1.0

Chlorine binding site 8 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:82.9 occ:1.00 ND1 D:HIS59 3.4 61.5 1.0 NZ C:LYS117 3.5 66.6 1.0 O D:HOH213 3.6 45.4 1.0 CG D:HIS59 3.9 58.8 1.0 CB D:HIS59 4.0 52.3 1.0 CE1 D:HIS59 4.2 70.4 1.0 CG C:LYS117 4.3 51.8 1.0 CA D:HIS59 4.5 50.5 1.0 CE C:LYS117 4.7 62.9 1.0 N D:THR60 4.8 45.2 1.0 CD C:LYS117 4.9 59.5 1.0 CD2 D:HIS59 4.9 60.0 1.0

Chlorine binding site 9 out of 9 in the Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Cysteine Peptidase (NP_982244.1) From Bacillus Cereus Atcc 10987 at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:54.5 occ:1.00 N D:GLU84 3.0 39.9 1.0 NH1 D:ARG72 3.0 36.4 1.0 ND1 D:HIS78 3.4 45.3 1.0 NH2 D:ARG72 3.5 46.3 1.0 CA D:GLU84 3.6 40.8 1.0 CB D:HIS78 3.7 37.9 1.0 CZ D:ARG72 3.7 41.6 1.0 O D:ASN82 3.9 38.6 1.0 CG D:HIS78 4.0 41.5 1.0 C D:TYR83 4.0 38.8 1.0 CD1 D:TYR83 4.0 31.6 1.0 CA D:TYR83 4.0 38.1 1.0 CB D:GLU84 4.2 40.8 1.0 OE2 D:GLU84 4.4 59.4 1.0 CE1 D:TYR83 4.5 32.6 1.0 CE1 D:HIS78 4.5 44.1 1.0 CG D:GLU84 4.6 50.9 1.0 CG D:TYR83 4.7 34.9 1.0 CD D:GLU84 4.8 57.3 1.0 C D:ASN82 4.9 37.3 1.0 C D:GLU84 4.9 40.2 1.0 CG2 D:VAL74 4.9 35.5 1.0 CB D:TYR83 4.9 38.0 1.0 CA D:HIS78 4.9 37.0 1.0 N D:TYR83 5.0 37.2 1.0 NE D:ARG72 5.0 40.4 1.0

Q.Xu, N.D.Rawlings, H.J.Chiu, L.Jaroszewski, H.E.Klock, M.W.Knuth, M.D.Miller, M.A.Elsliger, A.M.Deacon, A.Godzik, S.A.Lesley, I.A.Wilson. Structural Analysis of Papain-Like Nlpc/P60 Superfamily Enzymes with A Circularly Permuted Topology Reveals Potential Lipid Binding Sites. Plos One V. 6 22013 2011.
ISSN: ESSN 1932-6203
PubMed: 21799766
DOI: 10.1371/JOURNAL.PONE.0022013