DESIGN AND SYNTHESIS OF NEW ENZYMES BASED ON THE LACTATE DEHYDROGENASE FRAMEWORK

RESIDUES PRO A 141 AND PRO B 141 ARE CIS PROLINES.

(ACE)ATLKDQLIHNLLKEEHVPHNKITVVGVGAVGMACAISILMKELADEIALVDVMEDKLKGEMMDLQHGSLFLRTPK
IVSGKDYNVTANSRLVVITAGARQQEGESRLNLVQRNVNIFKFIIPNIVKYSPNCKLLVVSNPVDILTYVAWKISGFPKN
RVIGSGCNLDSARFRYLMGERLGVHPLSCHGWILGEHGDSSVPVWSGVNVAGVSLKNLHPELGTDADKEHWKAVHKEVVD
SAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPISTMIKGLYGIKENVFLSVPCILGQNGISDVVKVTLTPEEEAHL
KKSADTLWGIQKELQF

XATLKDQLIHNLLKEEHVPHNKITVVGVGAVGMACAISILMKELADEIALVDVMEDKLKGEMMDLQHGSLFLRTPKIVSG
KDYNVTANSRLVVITAGARQQEGESRLNLVQRNVNIFKFIIPNIVKYSPNCKLLVVSNPVDILTYVAWKISGFPKNRVIG
SGCNLDSARFRYLMGERLGVHPLSCHGWILGEHGDSSVPVWSGVNVAGVSLKNLHPELGTDADKEHWKAVHKEVVDSAYE
VIKLKGYTSWAIGLSVADLAESIMKNLRRVHPISTMIKGLYGIKENVFLSVPCILGQNGISDVVKVTLTPEEEAHLKKSA
DTLWGIQKELQF

Coordinates and associated ncs operations (if present) transformed into standard crystal frame

SHEET
AFTER ROTATION OF THE A AND B SUBUNITS ABOUT THE
CRYSTALLOGRAPHIC X AXIS, THE GENERATED C AND D SUBUNITS
FORM EXTENSIONS TO SHEET 3 IN THE SHEET RECORDS BELOW.
THE SYMMETRY-GENERATED SHEET RECORDS ARE PRESENTED AS A
REMARK BECAUSE PDB SPECIFICATIONS DO NOT ALLOW THE
INCLUSION OF STRANDS WHOSE COORDINATES ARE NOT PRESENTED IN
THE ENTRY:
EXTENSION TO SHEET 3 OF A SUBUNIT:
3A 4 HIS D 9 LEU D 11 -1 N HIS D 9 O VAL A 302
EXTENSION TO SHEET 3 OF B SUBUNIT
3B 4 HIS C 9 LEU C 11 -1 N HIS C 9 O VAL B 302
STRAND 2 OF SHEETS 2A AND 2B IS BIFURCATED. EACH OF THESE
IS REPRESENTED BY TWO SHEETS, 2AA AND 2BA AND 2AB AND 2BB
BELOW, WHERE THE FIRST STRAND OF 2AA IS IDENTICAL TO THE
FIRST STRAND OF 2BA AND THE FIRST STRAND OF 2AB IS
IDENTICAL TO THE FIRST STRAND OF 2BB.

RESIDUES ARE NUMBERED ACCORDING TO THE STANDARD LDH NUMBERING SYSTEM DESCRIBED BY S.S.TAYLOR ET AL., IN PROC.NAT.ACAD.SCI.USA V.70 1790 1973.

TWO LDH SUBUNITS ARE INCLUDED.
EACH SUBUNIT HAS NADH AND OXAMATE IN THE ACTIVE SITE
AND A SULPHATE ION AT A REMOTE SITE.

THE TRANSFORMATION PRESENTED ON *MTRIX* RECORDS BELOW WILL
YIELD APPROXIMATE COORDINATES FOR CHAIN *B* WHEN APPLIED TO
CHAIN *A*.
THE *SCALE* TRANSFORMATION BELOW GENERATES FRACTIONAL
COORDINATES WITH RESPECT TO SPACE GROUP P 21 21 2.

ATLKDQLIHNLLKEEHVPHNKITVVGVGAVGMACAISILMKELADEIALVDVMEDKLKGEMMDLQHGSLFLRTPKIVSGK
DYNVTANSRLVVITAGARQQEGESRLNLVQRNVNIFKFIIPNIVKYSPNCKLLVVSNPVDILTYVAWKISGFPKNRVIGS
GCNLDSARFRYLMGERLGVHPLSCHGWILGEHGDSSVPVWSGVNVAGVSLKNLHPELGTDADKEHWKAVHKEVVDSAYEV
IKLKGYTSWAIGLSVADLAESIMKNLRRVHPISTMIKGLYGIKENVFLSVPCILGQNGISDVVKVTLTPEEEAHLKKSAD
TLWGIQKELQF