wwPDB validation report of PDB entry 1E4V

AK,ATP-AMP transphosphorylase,ATP:AMP phosphotransferase,Adenylate monophosphate kinase

ADENYLATE KINASE (E.C.2.7.4.3) COMPLEX WITH THE INHIBITOR AP=5=AADENYLATE KINASE

MUTANT P9L OF ADENYLATE KINASE FROM E. COLI, MODIFIED IN THE GLY-LOOP

THE REFINED MODEL CONTAINS 378 SOLVENT MOLECULES. SOLVENT MOLECULE Z106 INTERACT WITH COMPLEX -I AND Y111 WITH COMPLEX-II. SOLVENT MOLECULES Z106 - Z179 AND Y111- Y14 FORM NCS-RELATED PAIRS. IN COMPLEX-I ARG 167 AND PHOSPHATE-4 OF AP5 ADOPT TWO CONFORMATIONS. BOTH CONFORMATIONS WERE REFINED ALTERNATINGLY. NOTE THAT THE DISTANCE PD - O3D FOR CONFORMATION A OF AP5 A 215 IS 2.13 ANGSTROMS WHICH IS LARGER THAN EXPECTED. NOTE FURTHER THAT CONFORMATION A OF THIS ENTRY CORRESPONDS TO CONFORMATION A' OF THE PAPER CITED ON JRNL RECORDS ABOVE AND CONFORMATION B CORRESPONDS TO CONFORMATION B' OF THE PUBLICATION. THE TRANSFORMATION PRESENTED ON THE *MTRIX* RECORDS WILL YIELD APPROXIMATE COORDINATES FOR CHAIN *A* WHEN APPLIED TO CHAIN *B*.

Mutant G10V of adenylate kinase from E. coli, modified in the Gly-loop

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

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