Structure of PDB 6ph9 Chain A Binding Site BS04

Receptor Information

>6ph9 Chain A (length=243) Species: 573 (Klebsiella pneumoniae)

MVATLFIADLHLQTEEPAITAGFLRFLQGEARQADALYILGDLFEAWIGD
DDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAE
EERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIR
HRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRP
AVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFLE

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6ph9 Chain A Residue 308

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ph9 Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): E170 D173
• Binding residue (residue number reindexed from 1): E171 D174
• 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:6ph9, PDBe:6ph9, PDBj:6ph9
• PDBsum: 6ph9
• PubMed: 32041866
• UniProt: A6T5R0|LPXH_KLEP7 UDP-2,3-diacylglucosamine hydrolase (Gene Name=lpxH)