Chlorine in PDB 6pk5: Adenylate Kinase From Methanococcus Igneus - Apo Form

All present enzymatic activity of Adenylate Kinase From Methanococcus Igneus - Apo Form:
2.7.4.3;

The structure of Adenylate Kinase From Methanococcus Igneus - Apo Form, PDB code: 6pk5 was solved by S.Moon, J.Kim, E.Bae, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.33 / 2.30
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	68.710, 68.710, 257.980, 90.00, 90.00, 120.00
R / Rfree (%)	22.9 / 26.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Adenylate Kinase From Methanococcus Igneus - Apo Form (pdb code 6pk5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Adenylate Kinase From Methanococcus Igneus - Apo Form, PDB code: 6pk5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:60.9 occ:1.00 HD22 A:ASN155 2.3 57.6 1.0 O A:HOH415 2.7 42.3 1.0 O A:HOH405 2.7 42.3 1.0 O A:HOH408 2.7 42.3 1.0 HG23 A:ILE120 3.0 57.6 1.0 HA2 A:GLY10 3.0 57.6 1.0 ND2 A:ASN155 3.2 58.3 1.0 HG2 A:GLN152 3.2 57.6 1.0 HB2 A:ASN155 3.3 57.6 1.0 HG13 A:VAL11 3.3 57.6 1.0 HB3 A:ASN155 3.3 57.6 1.0 HA A:GLN152 3.4 57.6 1.0 H A:VAL11 3.5 57.6 1.0 HG22 A:ILE120 3.6 57.6 1.0 HG2 A:GLU122 3.6 57.6 1.0 CG2 A:ILE120 3.6 59.5 1.0 CB A:ASN155 3.6 57.2 1.0 HD21 A:ASN155 3.7 57.6 1.0 HG21 A:ILE120 3.8 57.6 1.0 O A:VAL121 3.8 59.2 1.0 CG A:ASN155 3.9 58.0 1.0 CA A:GLY10 4.0 60.6 1.0 N A:VAL11 4.1 60.2 1.0 CG A:GLN152 4.1 59.3 1.0 CG1 A:VAL11 4.1 60.7 1.0 HG12 A:VAL11 4.1 57.6 1.0 HB3 A:GLN152 4.2 57.6 1.0 OE1 A:GLN152 4.3 59.5 1.0 CA A:GLN152 4.3 58.0 1.0 HG3 A:GLU122 4.4 57.6 1.0 CG A:GLU122 4.4 58.8 1.0 C A:GLY10 4.4 61.3 1.0 CB A:GLN152 4.4 59.3 1.0 HA3 A:GLY10 4.5 57.6 1.0 O A:GLN152 4.6 56.2 1.0 CD A:GLN152 4.6 59.4 1.0 O A:HOH412 4.6 55.5 1.0 N A:GLY10 4.7 60.3 1.0 HG11 A:VAL11 4.7 57.6 1.0 H A:VAL121 4.7 57.6 1.0 HA A:GLU122 4.7 57.6 1.0 HG3 A:GLN152 4.8 57.6 1.0 C A:VAL121 4.8 59.8 1.0 OE2 A:GLU122 4.8 58.9 1.0 HG22 A:VAL11 4.9 57.6 1.0 HA A:ILE120 4.9 57.6 1.0 HG1 A:THR9 4.9 57.6 1.0 H A:GLY10 5.0 57.6 1.0 CB A:ILE120 5.0 60.5 1.0 C A:GLN152 5.0 57.6 1.0

Chlorine binding site 2 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:58.7 occ:1.00 OD2 A:ASP181 3.0 83.2 1.0 H A:LEU180 3.3 57.6 1.0 H A:ASP181 3.5 57.6 1.0 HB2 A:LEU180 3.5 57.6 1.0 CG A:ASP181 3.7 80.9 1.0 HG A:LEU180 3.9 57.6 1.0 HA2 A:GLY178 3.9 57.6 1.0 N A:LEU180 4.0 73.3 1.0 O A:GLY178 4.0 75.6 1.0 C A:GLY178 4.0 72.8 1.0 OD1 A:ASP181 4.1 80.6 1.0 HD12 A:LEU180 4.1 57.6 1.0 N A:ASP181 4.2 75.0 1.0 N A:LEU179 4.2 73.3 1.0 CB A:LEU180 4.3 72.0 1.0 CA A:GLY178 4.5 73.7 1.0 CG A:LEU180 4.5 71.5 1.0 H A:LEU179 4.5 57.6 1.0 HA A:LEU179 4.5 57.6 1.0 HB2 A:ASP181 4.5 57.6 1.0 CA A:LEU180 4.6 72.3 1.0 CB A:ASP181 4.6 78.5 1.0 H A:GLY178 4.7 57.6 1.0 CA A:LEU179 4.8 73.0 1.0 C A:LEU179 4.8 71.7 1.0 CD1 A:LEU180 4.8 72.5 1.0 O A:HOH410 4.9 53.7 1.0 C A:LEU180 4.9 73.6 1.0 N A:GLY178 5.0 70.7 1.0

Chlorine binding site 3 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:62.2 occ:1.00 HA2 B:GLY15 2.2 57.6 1.0 HB B:THR17 2.6 57.6 1.0 H B:THR18 2.7 57.6 1.0 H B:THR17 2.8 57.6 1.0 CA B:GLY15 3.0 67.0 1.0 H B:GLY15 3.3 57.6 1.0 C B:GLY15 3.3 67.2 1.0 OG1 B:THR18 3.4 73.9 1.0 N B:THR17 3.4 70.9 1.0 CB B:THR17 3.5 72.9 1.0 N B:THR18 3.5 73.3 1.0 H B:GLY16 3.6 57.6 1.0 N B:GLY16 3.6 69.2 1.0 N B:GLY15 3.6 65.6 1.0 HA3 B:GLY15 3.8 57.6 1.0 CA B:THR17 3.9 72.3 1.0 HG1 B:THR18 4.0 57.6 1.0 O B:GLY15 4.0 68.3 1.0 HB B:THR18 4.0 57.6 1.0 OG1 B:THR17 4.1 71.7 1.0 CB B:THR18 4.2 74.2 1.0 C B:THR17 4.3 73.8 1.0 C B:GLY16 4.4 70.8 1.0 CA B:THR18 4.5 74.8 1.0 HG22 B:THR17 4.5 57.6 1.0 CG2 B:THR17 4.6 74.6 1.0 HG1 B:THR17 4.6 57.6 1.0 CA B:GLY16 4.6 69.5 1.0 HG21 B:THR17 4.8 57.6 1.0 HA B:THR17 4.9 57.6 1.0 H B:LEU19 4.9 57.6 1.0 C B:VAL14 5.0 65.3 1.0

Chlorine binding site 4 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:62.5 occ:1.00 OD1 B:ASP90 3.1 67.5 1.0 O B:GLY10 3.5 63.4 1.0 H B:GLY10 3.8 57.6 1.0 O B:THR91 3.9 65.4 1.0 HG1 B:THR17 3.9 57.6 1.0 CG B:ASP90 4.1 68.9 1.0 HA B:THR9 4.1 57.6 1.0 N B:GLY10 4.2 63.4 1.0 OG1 B:THR17 4.3 71.7 1.0 OD2 B:ASP90 4.4 69.7 1.0 HE1 B:HIS92 4.5 57.6 1.0 CE1 B:HIS92 4.5 65.3 1.0 C B:THR91 4.5 65.8 1.0 C B:GLY10 4.5 62.6 1.0 ND1 B:HIS92 4.6 64.1 1.0 HA B:HIS92 4.7 57.6 1.0 HA3 B:GLY10 4.7 57.6 1.0 H B:THR91 4.7 57.6 1.0 C B:THR9 4.7 64.0 1.0 CA B:GLY10 4.7 62.9 1.0 O B:VAL8 4.8 65.6 1.0 N B:THR91 4.8 68.3 1.0 HA B:THR91 4.8 57.6 1.0 CA B:THR9 4.9 64.4 1.0 NE2 B:HIS92 4.9 66.4 1.0 HA3 B:GLY16 4.9 57.6 1.0

Chlorine binding site 5 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:57.3 occ:1.00 HD22 C:ASN155 2.3 57.6 1.0 O C:HOH414 2.7 53.8 1.0 O C:HOH411 2.7 56.2 1.0 O C:HOH408 2.9 51.2 1.0 HG2 C:GLN152 3.0 57.6 1.0 HG13 C:VAL11 3.0 57.6 1.0 ND2 C:ASN155 3.1 55.8 1.0 HA2 C:GLY10 3.1 57.6 1.0 HG23 C:ILE120 3.2 57.6 1.0 HA C:GLN152 3.2 57.6 1.0 HB2 C:ASN155 3.2 57.6 1.0 HB3 C:ASN155 3.3 57.6 1.0 HG22 C:ILE120 3.4 57.6 1.0 H C:VAL11 3.5 57.6 1.0 CG2 C:ILE120 3.6 54.4 1.0 CB C:ASN155 3.6 53.3 1.0 HG21 C:ILE120 3.6 57.6 1.0 HD21 C:ASN155 3.7 57.6 1.0 HG2 C:GLU122 3.7 57.6 1.0 CG C:ASN155 3.8 54.9 1.0 CG1 C:VAL11 3.9 57.1 1.0 O C:VAL121 3.9 55.0 1.0 CG C:GLN152 3.9 53.2 1.0 N C:VAL11 4.0 57.0 1.0 CA C:GLY10 4.0 56.7 1.0 HG12 C:VAL11 4.0 57.6 1.0 CA C:GLN152 4.1 53.7 1.0 HB3 C:GLN152 4.2 57.6 1.0 CB C:GLN152 4.3 52.1 1.0 C C:GLY10 4.3 57.6 1.0 OE1 C:GLN152 4.3 54.4 1.0 HG11 C:VAL11 4.4 57.6 1.0 HG3 C:GLN152 4.5 57.6 1.0 HG3 C:GLU122 4.6 57.6 1.0 CG C:GLU122 4.6 55.4 1.0 O C:GLN152 4.6 52.4 1.0 N C:GLY10 4.6 57.1 1.0 CD C:GLN152 4.6 54.0 1.0 HA3 C:GLY10 4.7 57.6 1.0 HA C:GLU122 4.7 57.6 1.0 HG22 C:VAL11 4.8 57.6 1.0 C C:GLN152 4.9 52.9 1.0 H C:GLY10 4.9 57.6 1.0 C C:VAL121 4.9 55.1 1.0 CB C:VAL11 4.9 59.1 1.0 H C:VAL121 4.9 57.6 1.0 CA C:VAL11 5.0 58.0 1.0 O C:HIS151 5.0 53.2 1.0

Chlorine binding site 6 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:60.7 occ:1.00 H C:GLY13 3.0 57.6 1.0 H C:GLY15 3.0 57.6 1.0 H C:THR17 3.7 57.6 1.0 HA2 C:GLY15 3.7 57.6 1.0 H C:GLY16 3.8 57.6 1.0 N C:GLY13 3.8 63.8 1.0 N C:GLY15 3.8 62.2 1.0 HA C:PRO12 3.9 57.6 1.0 H C:VAL14 4.1 57.6 1.0 HB C:THR17 4.1 57.6 1.0 HA2 C:GLY13 4.2 57.6 1.0 CA C:GLY15 4.2 63.7 1.0 N C:GLY16 4.3 64.2 1.0 HG12 C:VAL14 4.3 57.6 1.0 CA C:GLY13 4.4 64.3 1.0 OG1 C:THR17 4.4 68.3 1.0 N C:VAL14 4.4 61.9 1.0 N C:THR17 4.5 66.2 1.0 C C:GLY15 4.6 62.9 1.0 C C:GLY13 4.6 63.1 1.0 CB C:THR17 4.7 68.9 1.0 O C:VAL11 4.7 60.8 1.0 C C:PRO12 4.7 63.8 1.0 CA C:PRO12 4.7 63.8 1.0 HH22 C:ARG138 4.8 57.6 1.0 C C:VAL14 4.9 62.0 1.0

Chlorine binding site 7 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:60.4 occ:1.00 H C:LEU180 2.7 57.6 1.0 HG C:LEU180 2.9 57.6 1.0 HB2 C:LEU180 3.1 57.6 1.0 HD12 C:LEU180 3.4 57.6 1.0 N C:LEU180 3.5 67.7 1.0 H C:ASP181 3.5 57.6 1.0 HA2 C:GLY178 3.5 57.6 1.0 CG C:LEU180 3.6 67.8 1.0 CB C:LEU180 3.7 67.4 1.0 C C:GLY178 3.8 65.8 1.0 N C:LEU179 3.9 68.8 1.0 CD1 C:LEU180 4.0 69.7 1.0 O C:GLY178 4.0 66.9 1.0 H C:GLY178 4.0 57.6 1.0 CA C:GLY178 4.0 67.0 1.0 H C:LEU179 4.0 57.6 1.0 CA C:LEU180 4.2 67.3 1.0 OD1 C:ASP181 4.2 70.0 1.0 N C:ASP181 4.3 69.5 1.0 N C:GLY178 4.4 66.0 1.0 HA C:LEU179 4.5 57.6 1.0 C C:LEU179 4.5 66.9 1.0 HD11 C:LEU180 4.5 57.6 1.0 CG C:ASP181 4.5 71.5 1.0 CA C:LEU179 4.5 67.6 1.0 HB3 C:LEU180 4.6 57.6 1.0 HD13 C:LEU180 4.7 57.6 1.0 O C:HOH409 4.7 60.7 1.0 C C:LEU180 4.8 67.5 1.0 OD2 C:ASP181 4.9 73.4 1.0 HB3 C:ASP181 4.9 57.6 1.0 HA3 C:GLY178 4.9 57.6 1.0 CD2 C:LEU180 5.0 65.8 1.0

Chlorine binding site 8 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:60.0 occ:1.00 O D:HOH425 2.5 61.2 1.0 H D:GLY13 2.8 57.6 1.0 H D:GLY15 2.8 57.6 1.0 N D:GLY13 3.5 65.2 1.0 HA2 D:GLY15 3.6 57.6 1.0 N D:GLY15 3.6 67.3 1.0 H D:VAL14 3.8 57.6 1.0 HA D:PRO12 3.9 57.6 1.0 HA2 D:GLY13 3.9 57.6 1.0 H D:GLY16 4.0 57.6 1.0 H D:THR17 4.0 57.6 1.0 CA D:GLY15 4.1 68.2 1.0 N D:VAL14 4.1 65.2 1.0 CA D:GLY13 4.1 66.8 1.0 HG12 D:VAL14 4.1 57.6 1.0 HH22 D:ARG138 4.3 57.6 1.0 C D:GLY13 4.4 66.6 1.0 HB D:THR17 4.5 57.6 1.0 N D:GLY16 4.5 67.6 1.0 C D:PRO12 4.5 65.6 1.0 O D:VAL11 4.6 63.7 1.0 CA D:PRO12 4.6 63.9 1.0 C D:GLY15 4.7 67.4 1.0 OG1 D:THR17 4.7 68.6 1.0 HH21 D:ARG138 4.7 57.6 1.0 C D:VAL14 4.7 66.1 1.0 NH2 D:ARG138 4.9 77.4 1.0 N D:THR17 4.9 68.9 1.0 HA3 D:GLY15 4.9 57.6 1.0 CA D:VAL14 5.0 65.1 1.0

Chlorine binding site 9 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:57.3 occ:1.00 H D:ASP126 2.2 57.6 1.0 HB2 D:ASP126 2.6 57.6 1.0 OG D:SER124 2.8 71.8 1.0 OG D:SER125 2.9 68.6 1.0 N D:ASP126 3.0 69.8 1.0 HG D:SER124 3.0 57.6 1.0 H D:SER125 3.3 57.6 1.0 CB D:ASP126 3.3 72.9 1.0 HG D:SER125 3.3 57.6 1.0 CG D:ASP126 3.5 74.7 1.0 N D:SER125 3.5 67.3 1.0 CA D:ASP126 3.7 72.1 1.0 O D:HOH416 3.7 58.4 1.0 OD1 D:ASP126 3.8 74.7 1.0 O D:HOH414 3.8 59.5 1.0 C D:SER125 3.9 69.5 1.0 CB D:SER124 3.9 70.3 1.0 OD2 D:ASP126 4.0 76.2 1.0 CB D:SER125 4.0 67.5 1.0 CA D:SER125 4.0 67.4 1.0 HA D:ASP126 4.1 57.6 1.0 HB2 D:SER124 4.1 57.6 1.0 HB3 D:ASP126 4.2 57.6 1.0 C D:SER124 4.2 68.4 1.0 HA D:SER124 4.3 57.6 1.0 HB2 D:SER125 4.3 57.6 1.0 HG1 A:THR145 4.4 57.6 1.0 CA D:SER124 4.4 68.2 1.0 HB3 A:SER146 4.6 57.6 1.0 HB D:THR145 4.6 57.6 1.0 HB3 D:SER124 4.7 57.6 1.0 OG1 A:THR145 4.7 73.6 1.0 H D:GLU127 4.7 57.6 1.0 HG21 D:THR145 4.7 57.6 1.0 HB3 D:SER125 4.7 57.6 1.0 O D:SER124 5.0 68.9 1.0 HA D:SER125 5.0 57.6 1.0

Chlorine binding site 10 out of 15 in the Adenylate Kinase From Methanococcus Igneus - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Adenylate Kinase From Methanococcus Igneus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:59.4 occ:1.00 H E:LEU180 2.8 57.6 1.0 HB2 E:LEU180 3.2 57.6 1.0 H E:ASP181 3.2 57.6 1.0 N E:LEU180 3.5 64.0 1.0 HG E:LEU180 3.5 57.6 1.0 OD1 E:ASP181 3.7 65.5 1.0 O E:GLY178 3.8 65.9 1.0 C E:GLY178 3.9 64.9 1.0 CB E:LEU180 3.9 62.2 1.0 HA2 E:GLY178 4.0 57.6 1.0 N E:ASP181 4.0 64.5 1.0 HD12 E:LEU180 4.1 57.6 1.0 N E:LEU179 4.1 65.7 1.0 CG E:ASP181 4.1 66.4 1.0 CG E:LEU180 4.1 62.8 1.0 CA E:LEU180 4.2 62.8 1.0 HA E:LEU179 4.2 57.6 1.0 H E:LEU179 4.3 57.6 1.0 C E:LEU179 4.4 63.4 1.0 CA E:GLY178 4.4 65.9 1.0 CA E:LEU179 4.5 64.8 1.0 OD2 E:ASP181 4.5 68.2 1.0 HB3 E:ASP181 4.6 57.6 1.0 C E:LEU180 4.6 62.8 1.0 CD1 E:LEU180 4.6 63.8 1.0 HB3 E:LEU180 4.7 57.6 1.0 H E:GLY178 4.8 57.6 1.0 CB E:ASP181 4.8 65.6 1.0

E.Bae, S.Moon, J.Kim, E.Bae, G.N.Phillips Jr.. N/A N/A.