wwPDB validation report of PDB entry 1PFK

ADP A 324 AND ADP B 324 ARE THE PRODUCTS OF THE CATALYTIC REACTION ATP + F6P --> ADP + F-1,6-DP. ADP A 326 AND ADP B 326 ARE THE ALLOSTERIC ACTIVATORS.

PHOSPHOFRUCTOKINASE (E.C.2.7.1.11) (R-STATE) COMPLEX WITH FRUCTOSE-1,6-BISPHOSPHATE, ADP AND MG++
CRYSTAL STRUCTURE OF THE COMPLEX OF PHOSPHOFRUCTOKINASE FROM ESCHERICHIA COLI WITH ITS REACTION PRODUCTS

THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT CONTAINS TWO SUBUNITS
OF THE TETRAMER. THESE SUBUNITS HAVE BEEN ASSIGNED CHAIN
IDENTIFIERS *A* AND *B* AND HAVE DIFFERENT CONFORMATIONS.
CHAIN A IS A *CLOSED* SUBUNIT WITH THE MG++ ION BRIDGING
THE TWO PRODUCTS. CHAIN B IS AN *OPEN* SUBUNIT WITH THE
MG++ BOUND TO ADP ONLY. THERE ARE TWO WATER CHAINS, ONE
CORRESPONDING TO EACH SUBUNIT, AND EQUIVALENT WATER
MOLECULES IN EACH CHAIN HAVE BEEN ASSIGNED THE SAME RESIDUE
NUMBER. THE TETRAMER CAN BE COMPLETED FROM THE DIMER IN
THIS ENTRY BY ROTATING 180 DEGREES ABOUT Z
(I.E. -X, -Y, Z). THE STORED ORTHOGONAL CRYSTALLOGRAPHIC
COORDINATES IN THIS ENTRY MAY BE CONVERTED TO THE MOLECULAR
PQR FRAME (WITH THE MOLECULAR DIADS ALONG P,Q,R) BY THE
TRANSFORMATION
0.87831 0.47808 0.00000 0.00000
0.00000 0.00000 -1.00000 -2.71300
-0.47808 0.87831 0.00000 0.00000

THE TRANSFORMATION SPECIFIED ON THE *MTRIX* RECORDS BELOW
WILL YIELD APPROXIMATE COORDINATES FOR THE B CHAIN WHEN
APPLIED TO THE A CHAIN. IT WILL ALSO YIELD APPROXIMATE
COORDINATES FOR THE A CHAIN WHEN APPLIED TO THE B CHAIN.

The largest off-origin peak in the Patterson function is 3.38% of the height of the origin peak. No significant pseudotranslation is detected.

structure factor analysis and validation

geometric validation package for ligand chemistry in protein x-ray structures

20191225.v01 (using entries in the PDB archive December 25th 2019)