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Chlorine in PDB 1n4q: Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide

Enzymatic activity of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide

All present enzymatic activity of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide:
2.5.1.58; 2.5.1.59;

Protein crystallography data

The structure of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide, PDB code: 1n4q was solved by J.S.Taylor, T.S.Reid, P.J.Casey, L.S.Beese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.99 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 271.055, 268.033, 184.971, 90.00, 131.73, 90.00
R / Rfree (%) 21.4 / 23.4

Other elements in 1n4q:

The structure of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide (pdb code 1n4q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide, PDB code: 1n4q:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 1n4q

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Chlorine binding site 1 out of 7 in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1301

b:65.2
occ:1.00
 NH2 C:ARG287 2.8 78.7 1.0
NH2 C:ARG291 3.2 65.7 1.0
O I:HOH409 3.5 65.7 1.0
NE C:ARG253 3.6 75.7 1.0
OH C:TYR292 3.7 57.9 1.0
CZ C:ARG287 3.8 78.0 1.0
NH2 C:ARG253 3.8 78.1 1.0
NE C:ARG287 3.9 76.3 1.0
NH1 C:ARG291 4.0 63.4 1.0
CZ C:ARG291 4.1 64.5 1.0
CZ C:ARG253 4.2 78.0 1.0
CG2 I:VAL64 4.5 60.7 1.0
CG C:ARG253 4.5 70.2 1.0
CZ C:TYR292 4.6 56.9 1.0
CD C:ARG253 4.6 72.9 1.0
CE1 C:TYR292 4.8 57.3 1.0
CD2 C:LEU256 4.9 60.0 1.0

Chlorine binding site 2 out of 7 in 1n4q

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Chlorine binding site 2 out of 7 in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1306

b:45.4
occ:1.00
 N D:GLN287 3.1 39.7 1.0
N D:PHE286 3.1 40.9 1.0
O D:HOH1442 3.4 53.6 1.0
C D:LYS284 3.5 46.6 1.0
N D:ILE285 3.6 42.5 1.0
CB D:PHE286 3.7 38.0 1.0
CB D:GLN287 3.7 40.9 1.0
CG D:GLN287 3.8 46.3 1.0
CA D:PHE286 3.8 39.6 1.0
CA D:LYS284 3.8 47.2 1.0
O D:LYS284 3.8 46.6 1.0
C D:ILE285 3.9 40.9 1.0
C D:PHE286 3.9 41.0 1.0
CA D:GLN287 4.0 41.8 1.0
CA D:ILE285 4.1 40.1 1.0
CD D:LYS281 4.2 48.5 1.0
NE2 D:GLN287 4.2 49.3 1.0
CD D:GLN287 4.4 48.4 1.0
CA D:LYS281 4.4 43.0 1.0
O D:LYS281 4.5 43.4 1.0
O D:LEU280 4.6 40.7 1.0
N D:LYS284 4.7 48.7 1.0
NZ D:LYS281 4.8 50.9 1.0
O D:ILE285 4.9 40.1 1.0
CB D:LYS284 4.9 47.7 1.0
CE D:LYS281 4.9 52.8 1.0
C D:LYS281 4.9 42.3 1.0
CG D:PHE286 4.9 37.8 1.0

Chlorine binding site 3 out of 7 in 1n4q

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Chlorine binding site 3 out of 7 in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1309

b:51.9
occ:1.00
 N F:PHE286 3.4 43.1 1.0
N F:GLN287 3.4 44.6 1.0
C F:LYS284 3.5 44.5 1.0
N F:ILE285 3.7 43.6 1.0
CA F:LYS284 3.7 44.0 1.0
O F:LYS284 3.9 45.8 1.0
CB F:GLN287 3.9 47.0 1.0
CG F:GLN287 3.9 47.2 1.0
CB F:PHE286 3.9 46.0 1.0
NE2 F:GLN287 4.1 43.2 1.0
CA F:PHE286 4.1 43.3 1.0
CD F:LYS281 4.1 51.9 1.0
C F:ILE285 4.1 43.1 1.0
C F:PHE286 4.2 44.6 1.0
CA F:ILE285 4.2 42.2 1.0
CA F:GLN287 4.2 46.7 1.0
O F:LYS281 4.3 44.5 1.0
CD F:GLN287 4.4 47.8 1.0
CA F:LYS281 4.4 44.2 1.0
O F:LEU280 4.6 42.8 1.0
N F:LYS284 4.7 46.1 1.0
CB F:LYS284 4.7 45.4 1.0
CE F:LYS281 4.8 55.0 1.0
CG F:LYS281 4.8 48.3 1.0
C F:LYS281 4.8 43.7 1.0
NZ F:LYS281 4.9 58.2 1.0

Chlorine binding site 4 out of 7 in 1n4q

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Chlorine binding site 4 out of 7 in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1311

b:59.8
occ:1.00
 O G:HOH1323 2.3 54.2 1.0
NH2 G:ARG287 3.3 74.5 1.0
OH G:TYR292 3.4 53.4 1.0
NH2 G:ARG291 3.6 51.1 1.0
NE G:ARG253 3.8 64.8 1.0
NE G:ARG287 4.0 70.1 1.0
CZ G:ARG287 4.0 72.5 1.0
NH1 G:ARG291 4.1 54.4 1.0
CG G:ARG253 4.3 60.5 1.0
CZ G:ARG291 4.4 55.3 1.0
CD2 G:LEU256 4.4 48.9 1.0
CZ G:TYR292 4.4 54.4 1.0
NH2 G:ARG253 4.5 65.0 1.0
CD G:ARG253 4.6 63.1 1.0
CZ G:ARG253 4.6 65.1 1.0
CE1 G:TYR292 4.6 53.3 1.0
O G:HOH1365 4.8 57.5 1.0

Chlorine binding site 5 out of 7 in 1n4q

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Chlorine binding site 5 out of 7 in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1312

b:59.8
occ:1.00
 N H:PHE286 3.2 54.4 1.0
N H:GLN287 3.2 55.7 1.0
C H:LYS284 3.5 55.7 1.0
N H:ILE285 3.6 53.9 1.0
CB H:PHE286 3.8 57.1 1.0
CA H:LYS284 3.8 56.2 1.0
CB H:GLN287 3.8 57.7 1.0
CG H:GLN287 3.8 61.2 1.0
O H:LYS284 3.8 56.1 1.0
CA H:PHE286 3.9 55.9 1.0
NE2 H:GLN287 4.0 60.4 1.0
C H:ILE285 4.0 53.8 1.0
C H:PHE286 4.0 56.0 1.0
CD H:LYS281 4.1 65.5 1.0
CA H:GLN287 4.1 56.8 1.0
CA H:ILE285 4.1 53.5 1.0
CD H:GLN287 4.3 61.5 1.0
CA H:LYS281 4.3 58.3 1.0
O H:LYS281 4.4 58.8 1.0
NZ H:LYS281 4.4 70.5 1.0
CE H:LYS281 4.6 70.3 1.0
O H:LEU280 4.6 58.5 1.0
N H:LYS284 4.7 57.9 1.0
CB H:LYS284 4.8 55.0 1.0
C H:LYS281 4.8 57.5 1.0
CG H:PHE286 5.0 57.3 1.0

Chlorine binding site 6 out of 7 in 1n4q

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Chlorine binding site 6 out of 7 in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl1315

b:60.2
occ:1.00
 N J:PHE286 3.2 56.8 1.0
N J:GLN287 3.2 61.4 1.0
C J:LYS284 3.4 57.3 1.0
NZ J:LYS281 3.6 68.9 1.0
N J:ILE285 3.6 55.8 1.0
CB J:GLN287 3.7 62.4 1.0
CG J:GLN287 3.8 67.0 1.0
CB J:PHE286 3.8 60.1 1.0
CA J:LYS284 3.8 58.1 1.0
O J:LYS284 3.8 58.0 1.0
CA J:PHE286 3.8 60.0 1.0
C J:ILE285 3.9 55.6 1.0
NE2 J:GLN287 4.0 67.1 1.0
CD J:LYS281 4.0 62.5 1.0
C J:PHE286 4.0 61.0 1.0
CA J:GLN287 4.0 61.4 1.0
CA J:ILE285 4.1 54.1 1.0
CE J:LYS281 4.1 66.3 1.0
CD J:GLN287 4.2 68.4 1.0
O J:LYS281 4.4 56.8 1.0
CA J:LYS281 4.4 54.6 1.0
O J:LEU280 4.6 55.1 1.0
N J:LYS284 4.7 58.2 1.0
CB J:LYS284 4.8 60.2 1.0
C J:LYS281 4.9 54.1 1.0
O J:ILE285 4.9 55.5 1.0

Chlorine binding site 7 out of 7 in 1n4q

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Chlorine binding site 7 out of 7 in the Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Protein Geranylgeranyltransferase Type-I Complexed with A Ggpp Analog and A Kkksktkcvil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl1317

b:61.5
occ:1.00
 O K:HOH1332 2.3 51.8 1.0
O A:HOH418 3.0 45.0 1.0
NH2 K:ARG287 3.1 67.8 1.0
OH K:TYR292 3.1 55.0 1.0
O K:HOH1396 3.4 63.3 1.0
NE K:ARG253 3.8 65.1 1.0
NE K:ARG287 4.0 65.8 1.0
CZ K:ARG287 4.0 67.0 1.0
NH2 K:ARG291 4.0 54.9 1.0
CZ K:TYR292 4.1 53.1 1.0
NH1 K:ARG291 4.2 52.2 1.0
CE1 K:TYR292 4.2 53.4 1.0
CD2 K:LEU256 4.3 39.6 1.0
CG2 A:VAL64 4.3 46.2 1.0
CG K:ARG253 4.3 57.5 1.0
CD K:ARG253 4.5 61.1 1.0
CZ K:ARG291 4.6 54.1 1.0
NH2 K:ARG253 4.6 65.3 1.0
CZ K:ARG253 4.7 67.4 1.0
O K:HOH1381 5.0 52.9 1.0

Reference:

J.S.Taylor, T.S.Reid, K.L.Terry, P.J.Casey, L.S.Beese. Structure of Mammalian Protein Geranylgeranyltransferase Type-I Embo J. V. 22 5963 2003.
ISSN: ISSN 0261-4189
PubMed: 14609943
DOI: 10.1093/EMBOJ/CDG571
Page generated: Sat Jul 20 00:17:49 2024

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