PDB entry 4elb
View 4elb 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 2.02 freeze date was dated
2013-02-13, with a file datestamp of
2013-02-08.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.247
AEROSPACI score: 0.26
(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 2.02: d4elba_ - 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 2.02: d4elbb_ - 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 2.02: d4elbc_ - 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 2.02: d4elbd_ - 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 2.02: d4elbe_ - 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 2.02: d4elbf_ - 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 2.02: d4elbg_ - 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 2.02: d4elbh_ - Heterogens: CA, CL, 34S, 34R, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>4elbA (A:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'B':
Sequence; same for both SEQRES and ATOM records: (download)
>4elbB (B:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'C':
Sequence; same for both SEQRES and ATOM records: (download)
>4elbC (C:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'D':
Sequence; same for both SEQRES and ATOM records: (download)
>4elbD (D:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'E':
Sequence; same for both SEQRES and ATOM records: (download)
>4elbE (E:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'F':
Sequence; same for both SEQRES and ATOM records: (download)
>4elbF (F:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'G':
Sequence; same for both SEQRES and ATOM records: (download)
>4elbG (G:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
- Chain 'H':
Sequence; same for both SEQRES and ATOM records: (download)
>4elbH (H:)
mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr