PDB entry 4nil
View 4nil on RCSB PDB site
Description: Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
Class: transferase/transferase inhibitor
Keywords: TIM Barrel, transferase, Pterin and pABA binding, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on
2013-11-06, released
2014-05-14
The last revision prior to the SCOPe 2.08 freeze date was dated
2017-11-22, with a file datestamp of
2017-11-17.
Experiment type: XRAY
Resolution: 2.18 Å
R-factor: N/A
AEROSPACI score: 0.27
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: dihydropteroate synthase
Species: Bacillus anthracis [TaxId:1392]
Gene: folP, BAS0071, BA_0071, GBAA_0071
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.08: d4nila1, d4nila2 - Chain 'B':
Compound: dihydropteroate synthase
Species: Bacillus anthracis [TaxId:1392]
Gene: folP, BAS0071, BA_0071, GBAA_0071
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.08: d4nilb_ - Heterogens: SO4, 2O8, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4nilA (A:)
mgsshhhhhhssglvprgshmkwdydlrcgeytlnlnektlimgilnvtpdsfsdggsyn
evdaavrhakemrdegahiidiggestrpgfakvsveeeikrvvpmiqavskevklpisi
dtykaevakqaieagahiindiwgakaepkiaevaahydvpiilmhnrdnmnyrnlmadm
iadlydsikiakdagvrdeniildpgigfaktpeqnleamrnleqlnvlgypvllgtsrk
sfighvldlpveerlegtgatvclgiekgcefvrvhdvkemsrmakmmdamigkgvk
Sequence, based on observed residues (ATOM records): (download)
>4nilA (A:)
mkwdydlrcgeytlnlnektlimgilnvtpdsfsdggsynevdaavrhakemrdegahii
diggestrpgfakvsveeeikrvvpmiqavskevklpisidtykaevakqaieagahiin
diwgakaepkiaevaahydvpiilmhnrdnmnyrnlmadmiadlydsikiakdagvrden
iildpgigfaktpeqnleamrnleqlnvlgypvllgtsrksfighvldlpveerlegtga
tvclgiekgcefvrvhdvkemsrmakmmdamigk
- Chain 'B':
Sequence, based on SEQRES records: (download)
>4nilB (B:)
mgsshhhhhhssglvprgshmkwdydlrcgeytlnlnektlimgilnvtpdsfsdggsyn
evdaavrhakemrdegahiidiggestrpgfakvsveeeikrvvpmiqavskevklpisi
dtykaevakqaieagahiindiwgakaepkiaevaahydvpiilmhnrdnmnyrnlmadm
iadlydsikiakdagvrdeniildpgigfaktpeqnleamrnleqlnvlgypvllgtsrk
sfighvldlpveerlegtgatvclgiekgcefvrvhdvkemsrmakmmdamigkgvk
Sequence, based on observed residues (ATOM records): (download)
>4nilB (B:)
kwdydlrcgeytlnlnektlimgilnvtpsdggsynevdaavrhakemrdegahiidigg
akvsveeeikrvvpmiqavskevklpisidtykaevakqaieagahiindiwgakaepki
aevaahydvpiilmhnrdnmnyrnlmadmiadlydsikiakdagvrdeniildpgigfak
tpeqnleamrnleqlnvlgypvllgtsrksfighvldlpveerlegtgatvclgiekgce
fvrvhdvkemsrmakmmdamigk