Structure of PDB 1qb4 Chain A Binding Site BS01

Receptor Information
>1qb4 Chain A (length=873) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYSALRSNVSMLGKVLGETIKDALGEHILERVETIRKLSKSSRAGNDANR
QELLTTLQNLSNDELLPVARAFSQFLNLANTAEQYHSISPKGEAASNPEV
IARTLRKLKNQPELSEDTIKKAVESLSLELVLTAHPTEITRRTLIHKMVE
VNACLKQLDNKDIADYEHNQLMRRLRQLIAQSWHTDEIRKLRPSPVDEAK
WGFAVVENSLWQGVPNYLRELNEQLEENLGYKLPVEFVPVRFTSWMGGDR
DGNPNVTADITRHVLLLSRWKATDLFLKDIQVLVSELSMVEATPELLALV
GEEGAAEPYRYLMKNLRSRLMATQAWLEARLKGEELPKPEGLLTQNEELW
EPLYACYQSLQACGMGIIANGDLLDTLRRVKCFGVPLVRIDIRQESTRHT
EALGELTRYLGIGDYESWSEADKQAFLIRELNSKRPLLPRNWQPSAETRE
VLDTCQVIAEAPQGSIAAYVISMAKTPSDVLAVHLLLKEAGIGFAMPVAP
LFETLDDLNNANDVMTQLLNIDWYRGLIQGKQMVMIGYSDSAKDAGVMAA
SWAQYQAQDALIKTCEKAGIELTLFHGRGGSIGRGGAPAHAALLSQPPGS
LKGGLRVTEQGEMIRFKYGLPEITVSSLSLYTGAILEANLLPPPEPKESW
RRIMDELSVISCDVYRGYVRENKDFVPYFRSATPEQELGKLPLGSRPAVE
SLRAIPWIFAWTQNRLMLPAWLGAGTALQKVVEDGKQSELEAMCRDWPFF
STRLGMLEMVFAKADLWLAEYYDQRLVDKALWPLGKELRNLQEEDIKVVL
AIANDSHLMADLPWIAESIQLRNIYTDPLNVLQAELLHRSRQAEKEGQEP
DPRVEQALMVTIAGIAAGMRNTG
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1qb4 Chain A Residue 885 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qb4 Plausible phosphoenolpyruvate binding site revealed by 2.6 A structure of Mn2+-bound phosphoenolpyruvate carboxylase from Escherichia coli
Resolution2.6 Å
Binding residue
(original residue number in PDB)		E506 D543
Binding residue
(residue number reindexed from 1)		E503 D540
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H138 R396 E506 D543 R581 R713
Catalytic site (residue number reindexed from 1) H135 R393 E503 D540 R578 R703
Enzyme Commision number 4.1.1.31: phosphoenolpyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008964 phosphoenolpyruvate carboxylase activity
GO:0016829 lyase activity
GO:0042802 identical protein binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006099 tricarboxylic acid cycle
GO:0006107 oxaloacetate metabolic process
GO:0015977 carbon fixation
GO:0051289 protein homotetramerization
Cellular Component
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:1qb4, PDBe:1qb4, PDBj:1qb4
PDBsum1qb4
PubMed10481043
UniProtP00864|CAPP_ECOLI Phosphoenolpyruvate carboxylase (Gene Name=ppc)

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