Structure of PDB 1zha Chain B Binding Site BS01
Receptor Information
>1zha Chain B (length=255) Species:
63363
(Aquifex aeolicus) [
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KFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSI
HSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPA
FLCGQTDLLLAAAKTGRAVNVKKGQFLAPWDTKNVVEKLKFGGAKEIYLT
ERGTTFGYNNLVVDFRSLPIMKQWAKVIYDATHSVQLPGGMREFIFPLIR
AAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEIREVASK
YYETI
Ligand information
Ligand ID
PEP
InChI
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKey
DTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341
OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04
O=C(O)C(\OP(=O)(O)O)=C
Formula
C3 H5 O6 P
Name
PHOSPHOENOLPYRUVATE
ChEMBL
CHEMBL1235228
DrugBank
DB01819
ZINC
ZINC000003870145
PDB chain
1zha Chain B Residue 2268 [
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Receptor-Ligand Complex Structure
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PDB
1zha
The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop.
Resolution
1.74 Å
Binding residue
(original residue number in PDB)
K2041 Q2099 P2101 A2102 K2124 R2154 H2185
Binding residue
(residue number reindexed from 1)
K39 Q97 P99 A100 K122 R152 H183
Annotation score
5
Binding affinity
MOAD
: Kd=0.04uM
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
GO:0046364
monosaccharide 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:1zha
,
PDBe:1zha
,
PDBj:1zha
PDBsum
1zha
PubMed
16156656
UniProt
O66496
|KDSA_AQUAE 2-dehydro-3-deoxyphosphooctonate aldolase (Gene Name=kdsA)
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