Phosphorus in PDB 1a4i: Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase

Enzymatic activity of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase

All present enzymatic activity of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase:
1.5.1.5; 3.5.4.9;

Protein crystallography data

The structure of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase, PDB code: 1a4i was solved by M.Allaire, Y.Li, R.E.Mackenzie, M.Cygler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.523, 135.843, 61.403, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 23.5

Phosphorus Binding Sites:

The binding sites of Phosphorus atom in the Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase (pdb code 1a4i). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 6 binding sites of Phosphorus where determined in the Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase, PDB code: 1a4i:
Jump to Phosphorus binding site number: 1; 2; 3; 4; 5; 6;

Phosphorus binding site 1 out of 6 in 1a4i

Go back to Phosphorus Binding Sites List in 1a4i
Phosphorus binding site 1 out of 6 in the Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P302

b:20.5
occ:1.00
 PA A:NDP302 0.0 20.5 1.0
O1A A:NDP302 1.4 20.0 1.0
O2A A:NDP302 1.5 23.9 1.0
O3 A:NDP302 1.6 19.8 1.0
O5B A:NDP302 1.6 19.3 1.0
C5B A:NDP302 2.6 18.3 1.0
PN A:NDP302 3.0 22.2 1.0
O1N A:NDP302 3.4 23.8 1.0
O2N A:NDP302 3.6 19.8 1.0
O A:HOH466 3.6 36.8 1.0
O A:HOH435 3.7 31.4 1.0
C4B A:NDP302 3.9 13.4 1.0
O A:HOH411 3.9 31.4 1.0
O5D A:NDP302 4.0 22.4 1.0
CB A:SER174 4.1 15.9 1.0
C3B A:NDP302 4.4 15.4 1.0
C5D A:NDP302 4.5 23.2 1.0
O A:HOH365 4.7 33.9 1.0
OG A:SER174 4.8 16.3 1.0
O4B A:NDP302 5.0 16.5 1.0

Phosphorus binding site 2 out of 6 in 1a4i

Go back to Phosphorus Binding Sites List in 1a4i
Phosphorus binding site 2 out of 6 in the Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P302

b:22.2
occ:1.00
 PN A:NDP302 0.0 22.2 1.0
O1N A:NDP302 1.5 23.8 1.0
O2N A:NDP302 1.5 19.8 1.0
O3 A:NDP302 1.6 19.8 1.0
O5D A:NDP302 1.6 22.4 1.0
C5D A:NDP302 2.7 23.2 1.0
PA A:NDP302 3.0 20.5 1.0
O1A A:NDP302 3.4 20.0 1.0
OG A:SER174 3.6 16.3 1.0
O5B A:NDP302 3.7 19.3 1.0
O A:HOH411 3.7 31.4 1.0
C4D A:NDP302 4.0 22.4 1.0
O2A A:NDP302 4.0 23.9 1.0
CB A:SER174 4.0 15.9 1.0
O4D A:NDP302 4.2 23.7 1.0
O A:HOH314 4.2 14.4 1.0
C5B A:NDP302 4.2 18.3 1.0
C6N A:NDP302 4.3 25.5 1.0
C3D A:NDP302 4.4 22.4 1.0
C2D A:NDP302 4.4 22.4 1.0
CG2 A:VAL177 4.5 15.2 1.0
O A:ALA215 4.7 14.3 1.0
C1D A:NDP302 4.9 23.5 1.0
CB A:VAL177 5.0 13.3 1.0

Phosphorus binding site 3 out of 6 in 1a4i

Go back to Phosphorus Binding Sites List in 1a4i
Phosphorus binding site 3 out of 6 in the Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P302

b:16.0
occ:1.00
 P2B A:NDP302 0.0 16.0 1.0
O1X A:NDP302 1.5 15.9 1.0
O2X A:NDP302 1.5 14.6 1.0
O3X A:NDP302 1.5 18.8 1.0
O2B A:NDP302 1.5 13.0 1.0
C2B A:NDP302 2.6 14.4 1.0
C3B A:NDP302 3.3 15.4 1.0
O3B A:NDP302 3.3 15.4 1.0
OG A:SER197 3.6 19.1 1.0
O A:HOH365 3.8 33.9 1.0
NH2 A:ARG173 3.8 16.3 1.0
NE A:ARG173 3.8 13.5 1.0
O A:HOH404 3.8 35.9 1.0
O A:HOH390 3.9 40.7 1.0
C1B A:NDP302 3.9 15.5 1.0
N A:SER197 3.9 15.8 1.0
CB A:SER197 4.1 18.4 1.0
CZ A:ARG173 4.2 14.4 1.0
CB A:HIS196 4.2 14.5 1.0
N9A A:NDP302 4.6 16.4 1.0
CA A:SER197 4.6 18.0 1.0
C4B A:NDP302 4.7 13.4 1.0
CG A:ARG173 4.7 12.5 1.0
CD A:ARG173 4.9 13.6 1.0
C A:HIS196 4.9 15.4 1.0
CA A:HIS196 4.9 14.1 1.0
O4B A:NDP302 5.0 16.5 1.0

Phosphorus binding site 4 out of 6 in 1a4i

Go back to Phosphorus Binding Sites List in 1a4i
Phosphorus binding site 4 out of 6 in the Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P302

b:16.2
occ:1.00
 PA B:NDP302 0.0 16.2 1.0
O1A B:NDP302 1.5 17.1 1.0
O2A B:NDP302 1.5 18.8 1.0
O3 B:NDP302 1.6 16.4 1.0
O5B B:NDP302 1.6 15.7 1.0
C5B B:NDP302 2.7 14.6 1.0
PN B:NDP302 2.9 17.6 1.0
O2N B:NDP302 3.5 18.0 1.0
O1N B:NDP302 3.6 19.7 1.0
O B:HOH417 3.8 26.2 1.0
O B:HOH371 3.8 24.7 1.0
C4B B:NDP302 3.9 12.8 1.0
O5D B:NDP302 4.0 18.5 1.0
CB B:SER174 4.1 12.5 1.0
C5D B:NDP302 4.4 17.9 1.0
C3B B:NDP302 4.5 13.6 1.0
OG B:SER174 4.7 12.8 1.0
O B:HOH374 4.9 30.8 1.0
O4B B:NDP302 5.0 12.7 1.0

Phosphorus binding site 5 out of 6 in 1a4i

Go back to Phosphorus Binding Sites List in 1a4i
Phosphorus binding site 5 out of 6 in the Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 5 of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P302

b:17.6
occ:1.00
 PN B:NDP302 0.0 17.6 1.0
O1N B:NDP302 1.5 19.7 1.0
O2N B:NDP302 1.5 18.0 1.0
O3 B:NDP302 1.6 16.4 1.0
O5D B:NDP302 1.6 18.5 1.0
C5D B:NDP302 2.6 17.9 1.0
PA B:NDP302 2.9 16.2 1.0
O1A B:NDP302 3.4 17.1 1.0
O B:HOH417 3.5 26.2 1.0
O5B B:NDP302 3.6 15.7 1.0
OG B:SER174 3.7 12.8 1.0
C4D B:NDP302 3.9 16.6 1.0
O2A B:NDP302 4.0 18.8 1.0
CB B:SER174 4.0 12.5 1.0
C6N B:NDP302 4.2 19.7 1.0
O4D B:NDP302 4.3 16.9 1.0
O B:HOH309 4.3 13.2 1.0
C3D B:NDP302 4.4 16.9 1.0
C5B B:NDP302 4.4 14.6 1.0
C2D B:NDP302 4.4 16.4 1.0
CG2 B:VAL177 4.5 13.2 1.0
O B:ALA215 4.9 12.7 1.0
C1D B:NDP302 4.9 17.7 1.0
CB B:VAL177 5.0 12.6 1.0

Phosphorus binding site 6 out of 6 in 1a4i

Go back to Phosphorus Binding Sites List in 1a4i
Phosphorus binding site 6 out of 6 in the Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 6 of Human Tetrahydrofolate Dehydrogenase / Cyclohydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P302

b:12.1
occ:1.00
 P2B B:NDP302 0.0 12.1 1.0
O1X B:NDP302 1.5 12.3 1.0
O2X B:NDP302 1.5 12.7 1.0
O3X B:NDP302 1.5 15.0 1.0
O2B B:NDP302 1.6 12.6 1.0
C2B B:NDP302 2.7 13.1 1.0
C3B B:NDP302 3.3 13.6 1.0
O3B B:NDP302 3.3 12.4 1.0
OG B:SER197 3.6 15.1 1.0
O B:HOH364 3.7 32.1 1.0
NH2 B:ARG173 3.7 12.7 1.0
NE B:ARG173 3.7 10.8 1.0
O B:HOH374 3.8 30.8 1.0
O B:HOH477 3.8 30.7 1.0
CB B:SER197 3.9 14.0 1.0
C1B B:NDP302 4.0 13.1 1.0
N B:SER197 4.0 12.2 1.0
CB B:HIS196 4.2 11.6 1.0
CZ B:ARG173 4.3 10.6 1.0
N9A B:NDP302 4.6 12.8 1.0
CG B:ARG173 4.6 10.4 1.0
CA B:SER197 4.7 13.9 1.0
C4B B:NDP302 4.7 12.8 1.0
CD B:ARG173 4.8 9.9 1.0
CA B:HIS196 4.9 10.3 1.0
O4B B:NDP302 5.0 12.7 1.0
C B:HIS196 5.0 11.7 1.0

Reference:

M.Allaire, Y.Li, R.E.Mackenzie, M.Cygler. The 3-D Structure of A Folate-Dependent Dehydrogenase/Cyclohydrolase Bifunctional Enzyme at 1.5 A Resolution. Structure V. 6 173 1998.
ISSN: ISSN 0969-2126
PubMed: 9519408
DOI: 10.1016/S0969-2126(98)00019-7
Page generated: Fri Sep 25 12:11:38 2020

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy