Structure of PDB 6x3b Chain B Binding Site BS02

Receptor Information

>6x3b Chain B (length=297) Species: 287 (Pseudomonas aeruginosa)

TQRLFVTGLSGFVGKHLQAYLAAAHTPWALLPVPHRYDLLEPDSLGDLWP
ELPDAVIHLAGQTYVPEAFRDPARTLQINLLGTLNLLQALKARGFSGTFL
YISSGDVYGQVAEAALPIHEELIPHPRNPYAVSKLAAESLCLQWGITEGW
RVLVARPFNHIGPGQKDSFVIASAARQIARMKQGLQANRLEVGDIDVSRD
FLDVQDVLSAYLRLLSHGEAGAVYNVCSGQEQKIRELIELLADIAQVELE
IVQDMRRAEQRRVRGSHARLHDATGWKPEITIKQSLRAILSDWESRV

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 6x3b Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6x3b X-ray crystallographic structure of RMD, the reductase involved in GDP-d-rhamnose production
• Resolution: 1.91 Å
• Binding residue (original residue number in PDB): D107 R200
• Binding residue (residue number reindexed from 1): D106 R199
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S105 G106 D107 Y131 K135
• Catalytic site (residue number reindexed from 1): S104 G105 D106 Y130 K134
• Enzyme Commision number: 1.1.1.281: GDP-4-dehydro-6-deoxy-D-mannose reductase.

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0033705 GDP-4-dehydro-6-deoxy-D-mannose reductase activity
• GO:0070402 NADPH binding

Biological Process

• GO:0009103 lipopolysaccharide biosynthetic process
• GO:0009243 O antigen biosynthetic process
• GO:0019306 GDP-D-rhamnose biosynthetic process

External links

• PDB: RCSB:6x3b, PDBe:6x3b, PDBj:6x3b
• PDBsum: 6x3b
• UniProt: Q9HTB6|RMD_PSEAE GDP-6-deoxy-D-mannose reductase (Gene Name=rmd)