Structure of PDB 1uoz Chain A Binding Site BS01

Receptor Information

>1uoz Chain A (length=300) Species: 83332 (Mycobacterium tuberculosis H37Rv)

GHIEGRHANPLAGKPFYVDPASAAMVAARNANPPNAELTSVANTPQSYWL
DQAFPPATVGGTVARYTGAAQAAGAMPVLTLYGIPHRDCGSYASGGFATG
TDYRGWIDAVASGLGSSPATIIVEPDALAMADCLSPDQRQERFDLVRYAV
DTLTRDPAAAVYVDAGHSRWLSAEAMAARLNDVGVGRARGFSLNVSNFYT
TDEEIGYGEAISGLTNGSHYVIDTSRNGAGPAPDAPLNWCNPSGRALGAP
PTTATAGAHADAYLWIKRPGESDGTCGRGEPQAGRFVSQYAIDLAHNAGQ

Ligand information

• Ligand ID: SSG
• InChI: InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1
• InChIKey: MUOMBPNNVXJUGT-UKFBFLRUSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1S
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)S)O
  CACTVS 3.341: OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1S
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)S)O)O)S)O
  ACDLabs 10.04: OC1C(S)C(OC(S)C1O)CO
• Formula: C6 H12 O4 S2
• Name: 1,4-dithio-beta-D-glucopyranose;
  1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE;
  1,4-dithio-beta-D-glucose;
  1,4-dithio-D-glucose;
  1,4-dithio-glucose
• DrugBank: DB03857
• ZINC: ZINC000005830031
• PDB chain: 1uoz Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1uoz Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
• Resolution: 1.1 Å
• Binding residue (original residue number in PDB): H247 W250 W319
• Binding residue (residue number reindexed from 1): H167 W170 W239
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y162 R167 D168 S174 D206 D353
• Catalytic site (residue number reindexed from 1): Y82 R87 D88 S94 D126 D273
• Enzyme Commision number: 3.2.1.-

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0030245 cellulose catabolic process

External links

• PDB: RCSB:1uoz, PDBe:1uoz, PDBj:1uoz
• PDBsum: 1uoz
• PubMed: 15824123
• UniProt: Q79G13