Structure of PDB 3atr Chain A Binding Site BS02

Receptor Information

>3atr Chain A (length=452) Species: 2285 (Sulfolobus acidocaldarius)

MKELKYDVLIIGGGFAGSSAAYQLSRRGLKILLVDSKPWNRIGDKPCGDA
VSKAHFDKLGMPYPKGEELENKINGIKLYSPDMQTVWTVNGEGFELNAPL
YNQRVLKEAQDRGVEIWDLTTAMKPIFEDGYVKGAVLFNRRTNEELTVYS
KVVVEATGYSRSFRSKLPPELPITEDLDDKDADVAYREVLLTKEDIEDHD
YLRIFIDQETSPGGYWWYFPKGKNKVNVGLGIQGGMGYPSIHEYYKKYLD
KYAPDVDKSKLLVKGGALVPTRRPLYTMAWNGIIVIGDSGFTVNPVHGGG
KGSAMISGYCAAKAILSAFETGDFSASGLWDMNICYVNEYGAKQASLDIF
RRFLQKLSNDDINYGMKKKIIKEEDLLEASEKGDLHLSVADKAMRVISGL
GRPSLLFKLKAVAESMKKIKELYLNYPRSPSSLGSWRREVDNVLTEFNKS
LS

Ligand information

• Ligand ID: PPV
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)O
  CACTVS 3.341: O[P](O)(=O)O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: OP(=O)(O)OP(=O)(O)O
• Formula: H4 O7 P2
• Name: PYROPHOSPHATE
• ChEMBL: CHEMBL1160571
• DrugBank: DB04160
• ZINC: ZINC000006827695
• PDB chain: 3atr Chain A Residue 511

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3atr Structure and mutation analysis of archaeal geranylgeranyl reductase
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): S52 H55 H297 Y340 K343
• Binding residue (residue number reindexed from 1): S52 H55 H297 Y340 K343
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.3.-.-

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor

Biological Process

• GO:0006650 glycerophospholipid metabolic process
• GO:0008654 phospholipid biosynthetic process

External links

• PDB: RCSB:3atr, PDBe:3atr, PDBj:3atr
• PDBsum: 3atr
• PubMed: 21515284
• UniProt: Q4JA33|GGR_SULAC Digeranylgeranylglycerophospholipid reductase (Gene Name=Saci_0986)