Structure of PDB 4bxc Chain B Binding Site BS01

Receptor Information
>4bxc Chain B (length=929) Species: 4227 (Flaveria trinervia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKLASIDAQLRLLVPSEDDKLVEYDALLLDKFLDILQDLHGEDLKEAVQQ
CYELSAEYEGKHDPKKLEELGSLLTSLDTGDSIVIAKAFSHMLNLANLAE
ELQIAYRRRIKLKSGDFADEANATTESDIEETFKRLVHKLNKSPEEVFDA
LKNQTVELVLTAHPTSVRRSLLQKHGRIRNCLAQLYAKDITPDDKQELDE
ALHREIQAAFRTDEIRPPTPQDEMRAGMSYFHETIWKGVPKFLRRVDTAL
KNIGINERFPYNAPLIQFSSWMGGDRDGNPRVTPEVTRDVCLLARMMTSN
MYFSQIEDLMIEMSMWRCNSELRVRAEELYRTAKHYIEFWKRIPPNQPYR
VILGDVRDKLYNTRERSRHLLVDGKSDIPDEAVYTNVEQLLEPLELCYRS
LCDCGDHVIADGSLLDFLRQVSTFGLSLVKLDIRQESDRHTEVLDAITQH
LGIGSYREWSEEKRQEWLLAELSGKRPLIGPDLPKTEEVKDCLDTFKVLA
ELPSDCFGAYIISMATSTSDVLAVELLQREYHIKHPLRVVPLFEKLADLE
AAPAAMTRLFSMDWYRNRIDGKQEVMIGYSDSGKDAGRFSAAWQLYKTQE
QIVKIAKEFGVKLVIFHGRGGTVGRGGGPTHLALLSQPPDTINGSLRVTV
QGEVIEQSFGEEHLCFRTLQRFCAATLEHGMNPPISPRPEWRELMDQMAV
VATEEYRSVVFKEPRFVEYFRLATPELEFGRMRPSPSGGIESLRAIPWIF
SWTQTRFHLPVWLGFGAAFKHAIQKDSKNLQMLQEMYKTWPFFRVTIDLV
EMVFAKGNPGIAALNDKLLVSEDLRPFGESLRANYEETKNYLLKIAGHKD
LLEGDPYLKQGIRLRDPYITTLNVCQAYTLKRIRDPNYHVTLRPHISKEY
APTSEYAPGLEDTLILTMKGIAAGMQNTG
Ligand information
Ligand IDG6P
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyNBSCHQHZLSJFNQ-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-alpha-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose
ChEMBL
DrugBankDB02007
ZINCZINC000003875375
PDB chain4bxc Chain B Residue 1967 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4bxc Resolving the Activation Site of Positive Regulators in Plant Phosphoenolpyruvate Carboxylase.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		W283 R450 M592 D597 G634 R635 R753 R767
Binding residue
(residue number reindexed from 1)		W271 R434 M576 D581 G618 R619 R733 R744
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 R434 E544 D581 R619 R744
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:0009760 C4 photosynthesis
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4bxc, PDBe:4bxc, PDBj:4bxc
PDBsum4bxc
PubMed24043710
UniProtP30694|CAPPA_FLATR C4 phosphoenolpyruvate carboxylase (Gene Name=PPCA)

[Back to BioLiP]