PDB entry 4elg
View 4elg on RCSB PDB site
Description: Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: dihydrofolate reductase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on
2012-04-10, released
2013-02-13
The last revision prior to the SCOPe 2.07 freeze date was dated
2013-02-13, with a file datestamp of
2013-02-08.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.195
AEROSPACI score: 0.41
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: dihydrofolate reductase
Species: Bacillus anthracis [TaxId:260799]
Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4elga1, d4elga2 - Chain 'B':
Compound: dihydrofolate reductase
Species: Bacillus anthracis [TaxId:260799]
Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4elgb1, d4elgb2 - Chain 'C':
Compound: dihydrofolate reductase
Species: Bacillus anthracis [TaxId:260799]
Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4elgc1, d4elgc2 - Chain 'D':
Compound: dihydrofolate reductase
Species: Bacillus anthracis [TaxId:260799]
Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4elgd1, d4elgd2 - Chain 'E':
Compound: dihydrofolate reductase
Species: Bacillus anthracis [TaxId:260799]
Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4elge1, d4elge2 - Chain 'F':
Compound: dihydrofolate reductase
Species: Bacillus anthracis [TaxId:260799]
Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4elgf1, d4elgf2 - Chain 'G':
Compound: dihydrofolate reductase
Species: Bacillus anthracis [TaxId:260799]
Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4elgg1, d4elgg2 - Chain 'H':
Compound: dihydrofolate reductase
Species: Bacillus anthracis [TaxId:260799]
Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4elgh1, d4elgh2 - Heterogens: 52J, CA, CL, 52I, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>4elgA (A:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'B':
Sequence; same for both SEQRES and ATOM records: (download)
>4elgB (B:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'C':
Sequence; same for both SEQRES and ATOM records: (download)
>4elgC (C:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'D':
Sequence; same for both SEQRES and ATOM records: (download)
>4elgD (D:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'E':
Sequence; same for both SEQRES and ATOM records: (download)
>4elgE (E:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'F':
Sequence; same for both SEQRES and ATOM records: (download)
>4elgF (F:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'G':
Sequence; same for both SEQRES and ATOM records: (download)
>4elgG (G:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'H':
Sequence; same for both SEQRES and ATOM records: (download)
>4elgH (H:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr