Sequence Specific 1H, 13C, and 15N assignment of the S. aureus TMP-resistant
dihydrofolate reductase mutant DHFR(F98Y) in the ternary complex with TMP and
NADPH

S. aureus DHFR(F98Y)-NADPH-TMP ternary complex

a.
The assignment of the polypeptide backbone was based on 3D HNCO,
CBCA(CO)NH, and 3D CBCANH experiments (Bax and Grzesiek, Acc.
Chem. Res. vol. 26, pp. 131-138, (1993).
Out of 149 expected signals, 148 were observed by HNCO, and these
15N/1H chemical shift pairs were transferred to the 3D CBCA(CO)NH
and 3D CBCANH spectra.

b.
- Extent of assignments; All 1H,15N,and 13C polypeptide backbone
resonances were assigned except 1Thr NH2 and 56Asn HN.

- Among the nonaromatic side-chain protons only delta CH2 of 45Lys
and gamma-CH2 of 101Met remained unassigned, but for part of the
methylene and isopropyl groups only a single line was observed and
the question of degeneracy was not further investigated.

- The assignment of the aromatic protons is complete, except for
those of the 8 imidazole rings of His were not assigned, and the
assignments of 5 of the 10 Phe rings were incomplete.

- Among the labile side-chain protons, those of all four Gln and
all six Asn,H of the two Trp, two imidazole NH out of the six His,
and five out of the six H of Arg were assigned.

Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jul 12 14:06:10 2011

Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jul 12 14:13:18 2011

NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

Altmann, S., Labhardt, A. M., Senn, H., and Wuthrich, K.,
"Sequence-Specific 1H, 13C, and 15N assignment of the TMP-resistant
dihydrofolate reductase mutant DHFR(F98Y) in the ternary complex with
TMP and NADPH," J. Biomol. NMR 9, 445-446 (1997).

Sequence-specific 1H, 13C and 15N assignment of the TMP-resistant dihydrofolate reductase mutant DHFR(F98Y) in the ternary complex with TMP and NADPH.

Wild-Type Staphylococcus Aureus Dhfr In Complex With Nadph And Trimethoprim

Wild-Type Staphylococcus Aureus Dhfr In Complex With Trimethoprim

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl

Staphylococcus Aureus F98y Mutant Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3-methoxy-5-phenylphenyl)b

Staphylococcus Aureus F98y Mutant Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3-methoxy-5-(2,6-dimethylp

Staphylococcus Aureus F98y Mutant Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3-methoxy-5-(3,5-dimethylp

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-eth

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]-6-

Staphylococcus Aureus F98y Mutant Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)pen

Staphylococcus Aureus F98y Mutant Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(2,5-dimethoxyphenyl)prop-1

Staphylococcus Aureus F98y Mutant Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3-methoxy-4-phenylphenyl)b

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-[3-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6

Staphylococcus Aureus F98y Dhfr Complexed With Iclaprim

S. Aureus Dhfr Complexed With Nadph And Folate

S. Aureus Dhfr Complexed With Nadph And Tmp

S. Aureus Dhfr Complexed With Nadph And Iclaprim

Crystal Structure Of Staph. Aureus Dhfr Complexed With Nadph And Ar- 101

Staph. Aureus Dhfr F98y Complexed With Ar-102

Staph. Aureus Dhfr Complexed With Nadph And Ar-102

Staph. Aureus Dhfr Complexed With Nadph And Ar-101

Staphylococcus Aureus H30n, F98y Dihydrofolate Reductase Complexed With Nadph And 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-

Staphylococcus Aureus V31y, F92i Mutant Dihydrofolate Reductase Complexed With Nadph And 5-[(3s)-3-(5-methoxy-2',6'-dimethylbip

Wild Type Dihydrofolate Reductase From Staphylococcus Aureus With Inhibitor Rab1

F98y Tmp-Resistant Dihydrofolate Reductase From Staphylococcus Aureus With Inhibitor Rab1

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 6-ethyl-5-[(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimid

S. Aureus Dihydrofolate Reductase Complexed With Novel 7-Aryl-2,4- Diaminoquinazolines

S. Aureus Dihydrofolate Reductase Co-crystallized With Propyl-dap Isobutenyl-dihydrophthalazine Inhibitor

S. Aureus Dihydrofolate Reductase Co-crystallized With Ethyl-dap Isobutenyl-dihydrophthalazine Inhibitor

Structure-based Design Of New Dihydrofolate Reductase Antibacterial Agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines

Staphylococcus Aureus F98y Mutant Dihydrofolate Reductase Complexed With Nadph

Staphylococcus Aureus V31l, F98y Mutant Dihydrofolate Reductase Complexed With Nadph

Staphylococcus Aureus Dihydrofolate Reductase Complexed With Nadph And 6-ethyl-5-[(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-

dihydrofolate reductase [Staphylococcus aureus subsp. aureus N315]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus Mu50]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus MW2]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus str. Newman]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus Mu3]

dihydrofolate reductase [Staphylococcus aureus]

dihydrofolate reductase type I [Staphylococcus aureus subsp. aureus MRSA252]

dihydrofolate reductase type I [Staphylococcus aureus subsp. aureus MSSA476]

trimethoprim-sensitive dihydrofolate reductase [Staphylococcus aureus RF122]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus ST398]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus COL]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus USA300_FPR3757]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus NCTC 8325]

dihydrofolate reductase [Staphylococcus aureus subsp. aureus JH9]

Dihydrofolate reductase [Staphylococcus aureus subsp. aureus JH1]

RecName: Full=Dihydrofolate reductase; Short=DHFR

For the protein preparation, Eschererichia coli M15(pREP), transformed
with the DHFR(F98Y) expression plasmid, was grown at 37 degrees C.

Mass Spectra of the protein indicate that
the samples contained 60% protein with a THR at
the n-terminus and 40% protein with a MET at the
n-terminus.