BMRB Entry 16822
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PDB ID: 2kgk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16822
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Title: Solution structure of Bacillus anthracis dihydrofolate reductase PubMed: 19323450
Deposition date: 2010-04-01 Original release date: 2010-04-29
Authors: deshmukh, lalit; vinogradova, olga; beierlein, jennifer; frey, kathleen; anderson, amy
Citation: Beierlein, Jennifer; Deshmukh, Lalit; Frey, Kathleen; Vinogradova, Olga; Anderson, Amy. "The solution structure of Bacillus anthracis dihydrofolate reductase yields insight into the analysis of structure-activity relationships for novel inhibitors." Biochemistry 48, 4100-4108 (2009).
Assembly members:
DHFR, polymer, 162 residues, 19149.008 Da.
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, non-polymer, 743.405 Da.
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, non-polymer, 312.366 Da.
Natural source: Common Name: anthrax bacteria Taxonomy ID: 1392 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus anthracis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
DHFR: MIVSFMVAMDENRVIGKDNN
LPWRLPSELQYVKKTTMGHP
LIMGRKNYEAIGRPLPGRRN
IIVTRNEGYHVEGCEVAHSV
EEVFELCKNEEEIFIFGGAQ
IYDLFLPYVDKLYITKIHHA
FEGDTFFPEMDMTNWKEVFV
EKGLTDEKNPYTYYYHVYEK
QQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 581 |
| 15N chemical shifts | 149 |
| 1H chemical shifts | 638 |
Additional metadata:
Related Database Links:
| PDB | 2KGK 2QK8 3DAT 3E0B 3FL8 3FL9 3JVX 3JW3 3JW5 3JWC 3JWF 3JWK 3JWM 3S9U 3SA1 3SA2 3SAI 4ELB 4ELE 4ELF 4ELG 4ELH |
| DBJ | BAL17957 BAR77036 BAR84614 GAE38630 GAE97667 |
| EMBL | CCW07550 CDN35653 CGF82795 CGG65241 CIZ56348 |
| GB | AAP09158 AAP26114 AAS41186 AAT31357 AAT40581 |
| REF | NP_831957 NP_844628 WP_000637196 WP_000637197 WP_000637198 |
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