PDB entry 3ioe
View 3ioe on RCSB PDB site
Description: Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.95 Ang resolution in complex with 5'-deoxy-5'-((R)-3,4-dihydroxybutylthio)-adenosine
Class: ligase
Keywords: Mycobacterium tuberculosis, pantothenate biosynthesis, enzymes, ligase, inhibitors, drug design, fragment-based, dynamic combinatorial chemistry, ATP-binding, Magnesium, Metal-binding, Nucleotide-binding
Deposited on
2009-08-14, released
2009-12-01
The last revision prior to the SCOPe 2.06 freeze date was dated
2011-07-13, with a file datestamp of
2011-05-25.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.168
AEROSPACI score: 0.49
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Pantothenate synthetase
Species: Mycobacterium tuberculosis [TaxId:1773]
Gene: MT3707, MTCY07H7B.20, panC, Rv3602c
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.06: d3ioea_ - Chain 'B':
Compound: Pantothenate synthetase
Species: Mycobacterium tuberculosis [TaxId:1773]
Gene: MT3707, MTCY07H7B.20, panC, Rv3602c
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.06: d3ioeb_ - Heterogens: A7D, GOL, SO4, EOH, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3ioeA (A:)
amaipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpg
svvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvq
pgplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldv
avvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravl
daapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgy
r
Sequence, based on observed residues (ATOM records): (download)
>3ioeA (A:)
pafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvvv
vsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgpl
aaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvg
vptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaap
gvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigt
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3ioeB (B:)
amaipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpg
svvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvq
pgplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldv
avvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravl
daapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgy
r
Sequence, based on observed residues (ATOM records): (download)
>3ioeB (B:)
aipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsv
vvvsifvnpmqfayprtpdddlaqlraegveiaftpttaamypdglrttvqpgplaaele
ggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvr
eadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavd
ylelrdiglgpmplngsgrllvaarlgttrlldniaieig