Phosphorus in PDB 1a9c: Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp

All present enzymatic activity of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp:
3.5.4.16;

The structure of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp, PDB code: 1a9c was solved by G.Auerbach, H.Nar, A.Bracher, A.Bacher, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.90
Space group	C 2 2 21 1
Cell size a, b, c (Å), α, β, γ (°)	313.900, 226.800, 131.400, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 28.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 45;

Binding sites:

The binding sites of Phosphorus atom in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp (pdb code 1a9c). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 45 binding sites of Phosphorus where determined in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp, PDB code: 1a9c:
Jump to Phosphorus binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Phosphorus binding site 1 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:P401 b:20.9 occ:1.00 PG A:GTP401 0.0 20.9 1.0 O1G A:GTP401 1.5 18.7 1.0 O2G A:GTP401 1.5 17.3 1.0 O3G A:GTP401 1.6 14.1 1.0 O3B A:GTP401 1.7 32.8 1.0 HH12 A:ARG185 2.6 20.0 0.0 HH11 B:ARG139 2.6 20.0 0.0 HH22 A:ARG185 2.8 20.0 0.0 PB A:GTP401 2.9 28.1 1.0 HH12 B:ARG139 3.1 20.0 0.0 HZ2 B:LYS136 3.2 20.0 0.0 O1B A:GTP401 3.2 35.3 1.0 NH1 B:ARG139 3.2 2.0 1.0 OG B:SER135 3.5 22.0 1.0 NH1 A:ARG185 3.5 58.1 1.0 O2B A:GTP401 3.6 16.5 1.0 NH2 A:ARG185 3.8 39.3 1.0 HG B:SER135 3.8 20.0 0.0 HZ3 B:LYS136 4.0 20.0 0.0 NZ B:LYS136 4.0 11.1 1.0 CZ A:ARG185 4.1 27.8 1.0 O3A A:GTP401 4.2 10.7 1.0 HH11 A:ARG185 4.2 20.0 0.0 HE2 A:HIS113 4.4 20.0 0.0 CB B:SER135 4.4 3.4 1.0 C3' A:GTP401 4.4 21.7 1.0 HH21 A:ARG185 4.6 20.0 0.0 CZ B:ARG139 4.6 8.8 1.0 CE1 A:HIS113 4.7 34.6 1.0 CE B:LYS136 4.7 7.8 1.0 O3' A:GTP401 4.7 13.7 1.0 O1A A:GTP401 4.8 28.0 1.0 HZ1 B:LYS136 4.8 20.0 0.0 O5' A:GTP401 4.8 32.4 1.0 NE2 A:HIS113 4.9 19.0 1.0 PA A:GTP401 5.0 29.9 1.0 H A:ILE187 5.0 20.0 0.0 O2' A:GTP401 5.0 36.6 1.0

Phosphorus binding site 2 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:P401 b:28.1 occ:1.00 PB A:GTP401 0.0 28.1 1.0 O1B A:GTP401 1.5 35.3 1.0 O2B A:GTP401 1.5 16.5 1.0 O3A A:GTP401 1.6 10.7 1.0 O3B A:GTP401 1.6 32.8 1.0 PA A:GTP401 2.9 29.9 1.0 HE2 A:HIS113 2.9 20.0 0.0 PG A:GTP401 2.9 20.9 1.0 HH22 A:ARG185 3.0 20.0 0.0 O1A A:GTP401 3.1 28.0 1.0 O1G A:GTP401 3.2 18.7 1.0 O5' A:GTP401 3.6 32.4 1.0 NE2 A:HIS113 3.7 19.0 1.0 NH2 A:ARG185 3.7 39.3 1.0 HZ3 B:LYS136 3.8 20.0 0.0 O2G A:GTP401 3.8 17.3 1.0 HH21 A:ARG185 3.9 20.0 0.0 O3G A:GTP401 4.0 14.1 1.0 CE1 A:HIS113 4.1 34.6 1.0 O2A A:GTP401 4.1 38.4 1.0 C5' A:GTP401 4.2 17.4 1.0 HZ2 B:LYS136 4.2 20.0 0.0 HH12 A:ARG185 4.4 20.0 0.0 NZ B:LYS136 4.5 11.1 1.0 CZ A:ARG185 4.8 27.8 1.0 C3' A:GTP401 4.9 21.7 1.0 CD2 A:HIS113 5.0 22.5 1.0

Phosphorus binding site 3 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:P401 b:29.9 occ:1.00 PA A:GTP401 0.0 29.9 1.0 O2A A:GTP401 1.5 38.4 1.0 O1A A:GTP401 1.5 28.0 1.0 O5' A:GTP401 1.6 32.4 1.0 O3A A:GTP401 1.6 10.7 1.0 C5' A:GTP401 2.7 17.4 1.0 PB A:GTP401 2.9 28.1 1.0 O1B A:GTP401 3.2 35.3 1.0 HZ3 B:LYS136 3.5 20.0 0.0 O3B A:GTP401 3.5 32.8 1.0 CG2 B:THR87 3.8 26.0 1.0 OG1 B:THR87 3.8 35.5 1.0 C4' A:GTP401 3.8 19.0 1.0 HG1 B:THR87 3.9 20.0 0.0 O2B A:GTP401 4.1 16.5 1.0 C3' A:GTP401 4.3 21.7 1.0 CB B:THR87 4.3 22.2 1.0 NZ B:LYS136 4.4 11.1 1.0 CE B:LYS136 4.6 7.8 1.0 HZ2 B:LYS136 4.7 20.0 0.0 HE2 A:HIS113 4.8 20.0 0.0 HD1 A:HIS112 4.9 20.0 0.0 PG A:GTP401 5.0 20.9 1.0 O3' A:GTP401 5.0 13.7 1.0

Phosphorus binding site 4 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ B:P402 b:16.7 occ:1.00 PG B:GTP402 0.0 16.7 1.0 O2G B:GTP402 1.5 17.5 1.0 O1G B:GTP402 1.5 12.2 1.0 O3G B:GTP402 1.6 12.7 1.0 O3B B:GTP402 1.7 26.1 1.0 HH11 C:ARG139 2.5 20.0 0.0 HH12 B:ARG185 2.7 20.0 0.0 HH12 C:ARG139 2.8 20.0 0.0 PB B:GTP402 2.9 24.7 1.0 HH22 B:ARG185 3.0 20.0 0.0 HZ2 C:LYS136 3.0 20.0 0.0 NH1 C:ARG139 3.0 20.5 1.0 O1B B:GTP402 3.1 34.1 1.0 OG C:SER135 3.6 16.1 1.0 O2B B:GTP402 3.6 32.7 1.0 NH1 B:ARG185 3.7 29.9 1.0 HG C:SER135 3.8 20.0 0.0 NH2 B:ARG185 3.9 26.8 1.0 HZ3 C:LYS136 3.9 20.0 0.0 NZ C:LYS136 3.9 17.9 1.0 O3A B:GTP402 4.1 21.1 1.0 CZ B:ARG185 4.2 13.4 1.0 CZ C:ARG139 4.3 16.5 1.0 HH11 B:ARG185 4.3 20.0 0.0 HE2 B:HIS113 4.4 20.0 0.0 C3' B:GTP402 4.4 17.7 1.0 CB C:SER135 4.5 2.0 1.0 CE C:LYS136 4.6 2.0 1.0 HH21 B:ARG185 4.7 20.0 0.0 HZ1 C:LYS136 4.7 20.0 0.0 O3' B:GTP402 4.7 32.2 1.0 O1A B:GTP402 4.7 20.8 1.0 O5' B:GTP402 4.8 9.9 1.0 CE1 B:HIS113 4.8 20.3 1.0 CD C:ARG139 4.9 17.0 1.0 H B:ILE187 4.9 20.0 0.0 PA B:GTP402 4.9 16.1 1.0 NE2 B:HIS113 4.9 3.4 1.0

Phosphorus binding site 5 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 5 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ B:P402 b:24.7 occ:1.00 PB B:GTP402 0.0 24.7 1.0 O1B B:GTP402 1.5 34.1 1.0 O2B B:GTP402 1.5 32.7 1.0 O3A B:GTP402 1.6 21.1 1.0 O3B B:GTP402 1.6 26.1 1.0 PG B:GTP402 2.9 16.7 1.0 HE2 B:HIS113 2.9 20.0 0.0 PA B:GTP402 2.9 16.1 1.0 HH22 B:ARG185 2.9 20.0 0.0 O1G B:GTP402 3.1 12.2 1.0 O1A B:GTP402 3.2 20.8 1.0 O5' B:GTP402 3.6 9.9 1.0 NE2 B:HIS113 3.7 3.4 1.0 HZ3 C:LYS136 3.7 20.0 0.0 NH2 B:ARG185 3.8 26.8 1.0 O2G B:GTP402 3.8 17.5 1.0 HH21 B:ARG185 4.0 20.0 0.0 O3G B:GTP402 4.0 12.7 1.0 CE1 B:HIS113 4.1 20.3 1.0 O2A B:GTP402 4.1 38.0 1.0 HZ2 C:LYS136 4.1 20.0 0.0 C5' B:GTP402 4.2 14.8 1.0 HH12 B:ARG185 4.4 20.0 0.0 NZ C:LYS136 4.4 17.9 1.0 CZ B:ARG185 4.8 13.4 1.0 C3' B:GTP402 4.8 17.7 1.0 CD2 B:HIS113 5.0 12.2 1.0

Phosphorus binding site 6 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 6 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ B:P402 b:16.1 occ:1.00 PA B:GTP402 0.0 16.1 1.0 O2A B:GTP402 1.5 38.0 1.0 O1A B:GTP402 1.5 20.8 1.0 O5' B:GTP402 1.6 9.9 1.0 O3A B:GTP402 1.6 21.1 1.0 C5' B:GTP402 2.7 14.8 1.0 PB B:GTP402 2.9 24.7 1.0 O1B B:GTP402 3.2 34.1 1.0 HZ3 C:LYS136 3.3 20.0 0.0 O3B B:GTP402 3.5 26.1 1.0 CG2 C:THR87 3.7 24.1 1.0 C4' B:GTP402 3.8 14.3 1.0 OG1 C:THR87 3.9 26.7 1.0 O2B B:GTP402 4.1 32.7 1.0 C3' B:GTP402 4.2 17.7 1.0 NZ C:LYS136 4.2 17.9 1.0 CB C:THR87 4.4 15.7 1.0 CE C:LYS136 4.5 2.0 1.0 HZ2 C:LYS136 4.5 20.0 0.0 HG1 C:THR87 4.7 20.0 0.0 HE2 B:HIS113 4.8 20.0 0.0 HD1 B:HIS112 4.9 20.0 0.0 O3' B:GTP402 4.9 32.2 1.0 PG B:GTP402 4.9 16.7 1.0 HZ1 C:LYS136 5.0 20.0 0.0

Phosphorus binding site 7 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 7 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ C:P403 b:15.9 occ:1.00 PG C:GTP403 0.0 15.9 1.0 O2G C:GTP403 1.5 13.9 1.0 O1G C:GTP403 1.5 3.4 1.0 O3G C:GTP403 1.6 26.2 1.0 O3B C:GTP403 1.6 21.6 1.0 HH11 D:ARG139 2.6 20.0 0.0 HH12 C:ARG185 2.7 20.0 0.0 PB C:GTP403 2.9 23.5 1.0 HH12 D:ARG139 2.9 20.0 0.0 HH22 C:ARG185 3.0 20.0 0.0 HZ2 D:LYS136 3.0 20.0 0.0 O1B C:GTP403 3.1 36.4 1.0 NH1 D:ARG139 3.1 9.2 1.0 HG D:SER135 3.3 20.0 0.0 O2B C:GTP403 3.5 12.6 1.0 OG D:SER135 3.5 25.6 1.0 NH1 C:ARG185 3.7 32.0 1.0 NH2 C:ARG185 3.9 48.4 1.0 HZ3 D:LYS136 3.9 20.0 0.0 NZ D:LYS136 3.9 8.5 1.0 O3A C:GTP403 4.1 17.9 1.0 CZ C:ARG185 4.3 29.0 1.0 HH11 C:ARG185 4.4 20.0 0.0 CZ D:ARG139 4.4 14.7 1.0 HE2 C:HIS113 4.4 20.0 0.0 CB D:SER135 4.4 8.2 1.0 C3' C:GTP403 4.5 21.3 1.0 O1A C:GTP403 4.7 22.8 1.0 HH21 C:ARG185 4.7 20.0 0.0 HZ1 D:LYS136 4.7 20.0 0.0 CE D:LYS136 4.7 2.0 1.0 CE1 C:HIS113 4.8 16.6 1.0 O3' C:GTP403 4.8 23.3 1.0 O5' C:GTP403 4.8 25.9 1.0 PA C:GTP403 4.9 23.7 1.0 NE2 C:HIS113 4.9 24.9 1.0 CD D:ARG139 4.9 5.3 1.0 H C:ILE187 4.9 20.0 0.0

Phosphorus binding site 8 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 8 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ C:P403 b:23.5 occ:1.00 PB C:GTP403 0.0 23.5 1.0 O1B C:GTP403 1.5 36.4 1.0 O2B C:GTP403 1.5 12.6 1.0 O3A C:GTP403 1.6 17.9 1.0 O3B C:GTP403 1.6 21.6 1.0 PG C:GTP403 2.9 15.9 1.0 HE2 C:HIS113 2.9 20.0 0.0 PA C:GTP403 2.9 23.7 1.0 HH22 C:ARG185 2.9 20.0 0.0 O1G C:GTP403 3.1 3.4 1.0 O1A C:GTP403 3.2 22.8 1.0 O5' C:GTP403 3.6 25.9 1.0 NE2 C:HIS113 3.7 24.9 1.0 NH2 C:ARG185 3.7 48.4 1.0 O2G C:GTP403 3.8 13.9 1.0 HZ3 D:LYS136 3.8 20.0 0.0 HH21 C:ARG185 3.9 20.0 0.0 O3G C:GTP403 4.0 26.2 1.0 CE1 C:HIS113 4.1 16.6 1.0 O2A C:GTP403 4.1 39.8 1.0 HZ2 D:LYS136 4.2 20.0 0.0 C5' C:GTP403 4.3 21.9 1.0 HH12 C:ARG185 4.4 20.0 0.0 NZ D:LYS136 4.5 8.5 1.0 CZ C:ARG185 4.8 29.0 1.0 C3' C:GTP403 4.9 21.3 1.0 CD2 C:HIS113 4.9 24.2 1.0

Phosphorus binding site 9 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 9 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ C:P403 b:23.7 occ:1.00 PA C:GTP403 0.0 23.7 1.0 O2A C:GTP403 1.5 39.8 1.0 O1A C:GTP403 1.5 22.8 1.0 O5' C:GTP403 1.6 25.9 1.0 O3A C:GTP403 1.6 17.9 1.0 C5' C:GTP403 2.7 21.9 1.0 PB C:GTP403 2.9 23.5 1.0 HG1 D:THR87 3.0 20.0 0.0 O1B C:GTP403 3.2 36.4 1.0 HZ3 D:LYS136 3.5 20.0 0.0 O3B C:GTP403 3.5 21.6 1.0 C4' C:GTP403 3.9 15.7 1.0 CG2 D:THR87 3.9 35.2 1.0 OG1 D:THR87 3.9 50.6 1.0 O2B C:GTP403 4.1 12.6 1.0 C3' C:GTP403 4.3 21.3 1.0 NZ D:LYS136 4.4 8.5 1.0 CB D:THR87 4.4 29.0 1.0 CE D:LYS136 4.6 2.0 1.0 HZ2 D:LYS136 4.6 20.0 0.0 HE2 C:HIS113 4.7 20.0 0.0 HD1 C:HIS112 4.8 20.0 0.0 PG C:GTP403 4.9 15.9 1.0 O3' C:GTP403 4.9 23.3 1.0

Phosphorus binding site 10 out of 45 in the Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 10 of Gtp Cyclohydrolase I (C110S Mutant) in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ D:P404 b:20.4 occ:1.00 PG D:GTP404 0.0 20.4 1.0 O2G D:GTP404 1.5 28.6 1.0 O1G D:GTP404 1.5 19.3 1.0 O3G D:GTP404 1.6 19.7 1.0 O3B D:GTP404 1.7 35.4 1.0 HG E:SER135 2.6 20.0 0.0 HH11 E:ARG139 2.6 20.0 0.0 HH12 D:ARG185 2.7 20.0 0.0 PB D:GTP404 2.9 34.5 1.0 HH12 E:ARG139 2.9 20.0 0.0 HH22 D:ARG185 2.9 20.0 0.0 HZ2 E:LYS136 3.1 20.0 0.0 O1B D:GTP404 3.1 32.7 1.0 NH1 E:ARG139 3.1 23.6 1.0 OG E:SER135 3.5 32.7 1.0 O2B D:GTP404 3.5 22.7 1.0 NH1 D:ARG185 3.6 38.0 1.0 NH2 D:ARG185 3.8 38.9 1.0 HZ3 E:LYS136 3.9 20.0 0.0 NZ E:LYS136 3.9 22.2 1.0 O3A D:GTP404 4.1 29.4 1.0 CZ D:ARG185 4.2 22.7 1.0 HH11 D:ARG185 4.3 20.0 0.0 HE2 D:HIS113 4.4 20.0 0.0 CZ E:ARG139 4.4 28.7 1.0 CB E:SER135 4.4 26.2 1.0 C3' D:GTP404 4.5 37.2 1.0 HH21 D:ARG185 4.6 20.0 0.0 O1A D:GTP404 4.7 24.4 1.0 HZ1 E:LYS136 4.7 20.0 0.0 CE E:LYS136 4.7 13.3 1.0 CE1 D:HIS113 4.8 16.6 1.0 O3' D:GTP404 4.8 31.2 1.0 O5' D:GTP404 4.8 23.5 1.0 H D:ILE187 4.9 20.0 0.0 NE2 D:HIS113 4.9 27.4 1.0 PA D:GTP404 4.9 33.1 1.0 CD E:ARG139 5.0 14.3 1.0

G.Auerbach, A.Bracher, H.Nar, M.Fischer, C.Hoesl, R.Huber, A.Bacher. Gtp Cyclohydrolase I in Complex with Gtp at 2.1 A Resolution To Be Published.