Structure of PDB 6mgi Chain B Binding Site BS01

Receptor Information
>6mgi Chain B (length=911) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEYDALLVDRFLNILQDLHGPSLREFVQECYEVSADYEGKGDTTKLGELG
AKLTGLAPADAILVASSILHMLNLANLAEEVQIAHRRRNSKLESDIEETL
KRLVSEVGKSPEEVFEALKNQTVDLVFTAHPTQSARRSLLQKNARIRNCL
TQLNAKDITDDDKQELDEALQREIQAAFRTDEIRRAQPTPQDEMRYGMSY
IHETVWKGVPKFLRRVDTALKNIGINERLPYNVSLIRFSSWMGGDRDGNP
RVTPEVTRDVCLLARMMAANLYIDQIEELMFELSMWRCNDELRVRAEELH
SSSGSKVTKYYIEFWKQIPPNEPYRVILGHVRDKLYNTRERARHLLASGV
SEISAESSFTSIEEFLEPLELCYKSLCDCGDKAIADGSLLDLLRQVFTFG
LSLVKLDIRQESERHTDVIDAITTHLGIGSYREWSEDKRQEWLLSELRGK
RPLLPPDLPQTEEIADVIGAFHVLAELPPDSFGPYIISMATAPSDVLAVE
LLQRECGVRQPLPVVPLFERLADLQSAPASVERLFSVDWYMDRIKGKQQV
MVGYSDSGKDAGRLSAAWQLYRAQEEMAQVAKRYGVKLTLFHGRGGTVGR
GGGPTHLAILSQPPDTINGSIRVTVQGEVIEFCFGEEHLCFQTLQRFTAA
TLEHGMHPPVSPKPEWRKLMDEMAVVATEEYRSVVVKEARFVEYFRSATP
ETEYGRMNIGSRPGGITTLRAIPWIFSWTQTRFHLPVWLGVGAAFKFAID
KDVRNFQVLKEMYNEWPFFRVTLDLLEMVFAKGDPGIAGLYDELLVAEEL
KPFGKQLRDKYVETQQLLLQIAGHKDILEGDPFLKQGLVLRNPYITTLNV
FQAYTLKRIRDPNFKVTPQPPLSKEFAGLVKLNPASEYPPGLEDTLILTM
KGIAAGMQNTG
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 chain6mgi Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mgi Structural and biochemical evidence of the glucose 6-phosphate-allosteric site of maize C4-phosphoenolpyruvate carboxylase: its importance in the overall enzyme kinetics.
Resolution2.986 Å
Binding residue
(original residue number in PDB)		E360 W362 K363
Binding residue
(residue number reindexed from 1)		E313 W315 K316
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H177 R456 E566 D603 R641 R773
Catalytic site (residue number reindexed from 1) H130 R409 E519 D556 R594 R720
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:0009735 response to cytokinin
GO:0010167 response to nitrate
GO:0015977 carbon fixation
GO:0015979 photosynthesis
GO:0048366 leaf development
GO:0060359 response to ammonium ion
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6mgi, PDBe:6mgi, PDBj:6mgi
PDBsum6mgi
PubMed32459324
UniProtP04711|CAPP1_MAIZE Phosphoenolpyruvate carboxylase 1 (Gene Name=PEP1)

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