Structure of PDB 5k8k Chain A Binding Site BS01

Receptor Information

>5k8k Chain A (length=237) Species: 71421 (Haemophilus influenzae Rd KW20)

MKHSYFISDLHLSETQPELTALFVDFMQNLAPQAERLYILGDLFDFWIGD
DEQSALIQQVKDLIKFVSDQGVQCYFQHGNRDFLIGERFSKETGAQLLPD
YQLITLYDKKILLCHGDTLCIDDEAYQQFRRRVHQKWLQRLFLCLPLKVR
VIIAEKIRAKSNQDKQAKSQEIMDVNQAFTAEKVQEFGVNLLIHGHTHRE
AIHQQEEFTRIVLGDWRKNYASILKMDESGEFGFIKD

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 5k8k Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5k8k Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis.
• Resolution: 2.55 Å
• Binding residue (original residue number in PDB): D42 N80 H115 H196
• Binding residue (residue number reindexed from 1): D42 N80 H115 H196
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.54: UDP-2,3-diacylglucosamine diphosphatase.

Gene Ontology

Molecular Function

• GO:0008758 UDP-2,3-diacylglucosamine hydrolase activity
• GO:0016462 pyrophosphatase activity
• GO:0016787 hydrolase activity
• GO:0030145 manganese ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0009245 lipid A biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005886 plasma membrane
• GO:0019897 extrinsic component of plasma membrane

External links

• PDB: RCSB:5k8k, PDBe:5k8k, PDBj:5k8k
• PDBsum: 5k8k
• PubMed: 27780190
• UniProt: P44046|LPXH_HAEIN UDP-2,3-diacylglucosamine hydrolase (Gene Name=lpxH)