PDB entry 3ime
View 3ime on RCSB PDB site
Description: Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid
Class: Ligase
Keywords: Mycobacterium tuberculosis, pantothenate biosynthesis, enzymes, ligase, drug design, fragment-based, ATP-binding, Magnesium, Metal-binding, Nucleotide-binding
Deposited on
2009-08-10, released
2009-10-13
The last revision prior to the SCOPe 2.08 freeze date was dated
2011-07-13, with a file datestamp of
2011-05-25.
Experiment type: XRAY
Resolution: 2.39 Å
R-factor: 0.161
AEROSPACI score: 0.37
(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 2.08: d3imea_ - 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 2.08: d3imeb_ - Heterogens: BZ2, GOL, EOH, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3imeA (A:)
amaipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpg
svvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvq
pgplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldv
avvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravl
daapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgy
r
Sequence, based on observed residues (ATOM records): (download)
>3imeA (A:)
pafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvvv
vsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgpl
aaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvg
vptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaap
gvavdylelrdiglgngsgrllvaarlgttrlldniaieigt
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3imeB (B:)
amaipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpg
svvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvq
pgplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldv
avvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravl
daapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgy
r
Sequence, based on observed residues (ATOM records): (download)
>3imeB (B:)
aipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsv
vvvsifvnptpdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggprpth
fagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadglam
ssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylelrdi
glgpmplngsgrllvaarlgttrlldniaieig