PDB entry 3imc
View 3imc on RCSB PDB site
Description: Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol
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 2.01 freeze date was dated
2011-07-13, with a file datestamp of
2011-05-25.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.17
AEROSPACI score: 0.6
(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 2.01: d3imca_ - 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 2.01: d3imcb_ - Heterogens: BZ3, SO4, GOL, EOH, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3imcA (A:)
amaipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpg
svvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvq
pgplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldv
avvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravl
daapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgy
r
Sequence, based on observed residues (ATOM records): (download)
>3imcA (A:)
pafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsvvv
vsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvqpgpl
aaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvg
vptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaap
gvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtf
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3imcB (B:)
amaipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpg
svvvvsifvnpmqfgaggdldayprtpdddlaqlraegveiaftpttaamypdglrttvq
pgplaaeleggprpthfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldv
avvgvptvreadglamssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravl
daapgvavdylelrdiglgpmplngsgrllvaarlgttrlldniaieigtfagtdrpdgy
r
Sequence, based on observed residues (ATOM records): (download)
>3imcB (B:)
aipafhpgelnvysapgdvadvsralrltgrrvmlvptmgalheghlalvraakrvpgsv
vvvsifvnpmqtpdddlaqlraegveiaftpttaamypdglrttvqpgplaaeleggprp
thfagvltvvlkllqivrpdrvffgekdyqqlvlirqlvadfnldvavvgvptvreadgl
amssrnryldpaqraaavalsaaltaaahaatagaqaaldaaravldaapgvavdylelr
diglgpmplngsgrllvaarlgttrlldniaieig