Structure of PDB 3fyo Chain D Binding Site BS01

Receptor Information
>3fyo Chain D (length=261) Species: 491 (Neisseria meningitidis serogroup B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIKINDITLGNNSPFVLFGGICVLESLDSTLQTCAHYVEVTRKLGIPYI
FKASFDKANRSSIHSYRGVGLEEGLKIFEKVKAEFGIPVITDVHEPHQCQ
PVAEVCDVIQLPAFLARQTDLVVAMAKTGNVVNIKKPQFLSPSQMKNIVE
KFHEAGNGKLILCERGSSFGYDNLVVDMLGFGVMKQTCGNLPVIFDVTHS
LQTRRAQALDLALAGMATRLAGLFLESHPCEGASALPLHLLEDFLIRIKA
LDDLIKSQPIL
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain3fyo Chain D Residue 281 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fyo Reversing evolution: re-establishing obligate metal ion dependence in a metal-independent KDO8P synthase
Resolution1.9 Å
Binding residue
(original residue number in PDB)
K52 Q110 A113 K135 R165 H199 F234
Binding residue
(residue number reindexed from 1)
K52 Q110 A113 K135 R165 H199 F224
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.55: 3-deoxy-8-phosphooctulonate synthase.
Gene Ontology
Molecular Function
GO:0008676 3-deoxy-8-phosphooctulonate synthase activity
GO:0016740 transferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0019294 keto-3-deoxy-D-manno-octulosonic acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:3fyo, PDBe:3fyo, PDBj:3fyo
PDBsum3fyo
PubMed19447118
UniProtQ9JZ55|KDSA_NEIMB 2-dehydro-3-deoxyphosphooctonate aldolase (Gene Name=kdsA)

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