Structure of PDB 3zgb Chain B Binding Site BS01

Receptor Information
>3zgb Chain B (length=915) Species: 4226 (Flaveria pringlei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIDAQLRLLVPGKVSEDDKLIEYDALLLDKFLDILQDLHGEDLKEAVQE
CYELSAEYEGKHDPKKLEELGSVLTSLDPGDSIVIAKAFSHMLNLANLAE
EVQIAYRRRIKLKRGDFADEANATTESDIEETFKKLVLKLNKSPEEVFDA
LKNQTVDLVLTAHPTQSVRRSLLQKHGRIRNCLAQLYAKDITPDDKQELD
EALHREIQAAFRTDEIRTPPTPQDEMRAGMSYFHETIWKGVPKFLRRVDT
ALKNIGINERVPYNAPLIQFSSWMGGDRDGNPRVTPEVTRDVCLLARMMA
SNMYFSQIEDLMFEMSMWRCNSELRVRAEELYRTARQVPPTEPYRVILGD
VRDKLYNTRERSRHLLAHGISDIPEEAVYTNVEQFLEPLELCYRSLCDCG
DRVIADGSLLDFLRQVSTFGLSLVKLDIRQESDRHTDVLDAITQHLEIGS
YREWSEEKRQEWLLAELSGKRPLFGSDLPKTEEVKDVLDTFNVLAELPSD
CFGAYIISMATSPSDVLAVELLQRECHVKHPLRVVPLFEKLADLEAAPAA
MARLFSIDWYRNRIDGKQEVMIGYSDSGKDAGRFSAAWQLYKAQEEIIKV
AKEFGVKLVIFHGRGGTVGRGGGPTHLAILSQPPDTIHGSLRVTVQGEVI
EQSFGEEHLCFRTLQRFCAATLEHGMNPPISPRPEWRELMDQMAVVATEE
YRSIVFKEPRFVEYFRLATPELEYGRMNIGSRPSKGIESLRAIPWIFAWT
QTRFHLPVWLGFGAAFKHAIKKDSKNLQMLQEMYKTWPFFRVTIDLVEMV
FAKGDPGIAALNDKLLVSEDLWPFGESLRANYEETKDYLLKIAGHRDLLE
GDPYLKQRIRLRDSYITTLNVCQAYTLKRIRDPNYHVTLRPHISGLEDTL
ILTMKGIAAGMQNTG
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain3zgb Chain B Residue 1967 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zgb Greater Efficiency of Photosynthetic Carbon Fixation due to Single Amino Acid Substitution
Resolution2.71 Å
Binding residue
(original residue number in PDB)		R641 Q673 K829 L881 R888 N964
Binding residue
(residue number reindexed from 1)		R620 Q652 K803 L855 R862 N913
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H172 R450 E560 D597 R635 R767
Catalytic site (residue number reindexed from 1) H163 R429 E539 D576 R614 R741
Enzyme Commision number 4.1.1.31: phosphoenolpyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008964 phosphoenolpyruvate carboxylase activity
GO:0016829 lyase activity
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0015977 carbon fixation
GO:0015979 photosynthesis
GO:0048366 leaf development
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009507 chloroplast
GO:0048046 apoplast

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3zgb, PDBe:3zgb, PDBj:3zgb
PDBsum3zgb
PubMed23443546
UniProtQ01647|CAPP1_FLAPR Phosphoenolpyruvate carboxylase (Gene Name=PPCA1)

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